smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CN(C(F)(F)c2nc(Cl)cc(N3CCCC3)n2)CC2(CC[NH2+]CC2)N1 ZINC001164388931 718808974 /nfs/dbraw/zinc/80/89/74/718808974.db2.gz FILVHRNWGQVIJF-UHFFFAOYSA-N 1 0 400.861 1.334 20 0 HDADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001164424122 718915476 /nfs/dbraw/zinc/91/54/76/718915476.db2.gz LOLOTYNCXXYXFP-MRXNPFEDSA-N 1 0 405.829 1.652 20 0 HDADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H]3[NH2+]C[C@H]32)c1CN1CC[C@H](CO)C1 ZINC001164448995 718998350 /nfs/dbraw/zinc/99/83/50/718998350.db2.gz KZXJQBHKHAKPGY-ZYSHUDEJSA-N 1 0 401.555 1.821 20 0 HDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1ncnc2c1CCN(Cc1ccccc1)C2 ZINC001164617460 719014203 /nfs/dbraw/zinc/01/42/03/719014203.db2.gz OIKTYNNNNJFQSG-YYWHXJBOSA-N 1 0 407.518 1.765 20 0 HDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(C(=O)OC)cnc1Cl ZINC001164620985 719016741 /nfs/dbraw/zinc/01/67/41/719016741.db2.gz ZYHWGCSNJIAVEK-XDTLVQLUSA-N 1 0 403.813 1.796 20 0 HDADRO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)nc2N1C1CCCC1 ZINC001164667658 719393679 /nfs/dbraw/zinc/39/36/79/719393679.db2.gz OJQBKBHHYYYXSL-NJAFHUGGSA-N 1 0 400.527 1.500 20 0 HDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc(Cl)c1[C@H](C)C(=O)OC)CC2 ZINC001164692018 719754504 /nfs/dbraw/zinc/75/45/04/719754504.db2.gz QXFIWOXZOUGAJS-ZDUSSCGKSA-N 1 0 409.918 1.587 20 0 HDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)CC2 ZINC001164690127 719754811 /nfs/dbraw/zinc/75/48/11/719754811.db2.gz UCNCYEWQGKTPJG-CQSZACIVSA-N 1 0 409.918 1.479 20 0 HDADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nnc1OC)CC2 ZINC001164689827 719756666 /nfs/dbraw/zinc/75/66/66/719756666.db2.gz KUAMUAFFLCRYIW-UHFFFAOYSA-N 1 0 403.861 1.864 20 0 HDADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001164705728 719871635 /nfs/dbraw/zinc/87/16/35/719871635.db2.gz OCWRWKKGYPETHG-UGKGYDQZSA-N 1 0 402.539 1.909 20 0 HDADRO C[N@H+](Cc1ccc(N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@H]3C2)nc1)C1CC1 ZINC001164703623 719922318 /nfs/dbraw/zinc/92/23/18/719922318.db2.gz LCJHFDXKKPOFQP-YZGWKJHDSA-N 1 0 400.523 1.929 20 0 HDADRO Cc1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1NC(C)C ZINC001164715042 720163598 /nfs/dbraw/zinc/16/35/98/720163598.db2.gz SFZJCMIEAFBEJL-SFHVURJKSA-N 1 0 414.558 1.950 20 0 HDADRO Cn1nnc2c1CCN(c1nccc(N3CCCC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716487 720163950 /nfs/dbraw/zinc/16/39/50/720163950.db2.gz ZSZSDAKMPLTFLG-SFHVURJKSA-N 1 0 412.542 1.422 20 0 HDADRO Cn1nnc2c1CCN(c1cc(Cl)ncc1C(N)=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713478 720170345 /nfs/dbraw/zinc/17/03/45/720170345.db2.gz LAFPGWXUXRDJDK-MRXNPFEDSA-N 1 0 419.917 1.179 20 0 HDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cncc(SCC(=O)OC)n1)C2 ZINC001164817866 720180667 /nfs/dbraw/zinc/18/06/67/720180667.db2.gz QPWWGLUMTDCOHO-OXQOHEQNSA-N 1 0 406.552 1.926 20 0 HDADRO COc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(SC)n1 ZINC001164719129 720182144 /nfs/dbraw/zinc/18/21/44/720182144.db2.gz SJCSZZPNTVHVMO-OAHLLOKOSA-N 1 0 419.555 1.552 20 0 HDADRO Cn1nnc2c1CCN(c1cc(-c3ncc[nH]3)ccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718253 720191784 /nfs/dbraw/zinc/19/17/84/720191784.db2.gz ZARRPAGMVGXVNW-SFHVURJKSA-N 1 0 408.510 1.816 20 0 HDADRO C[C@H]1CCc2nnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)cc2C1 ZINC001164715228 720202497 /nfs/dbraw/zinc/20/24/97/720202497.db2.gz JXBABTUXYYROAO-JXFKEZNVSA-N 1 0 411.554 1.946 20 0 HDADRO COC(=O)c1cnc(Cl)nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827863 720291958 /nfs/dbraw/zinc/29/19/58/720291958.db2.gz YJHGCPRUICZCJO-HOTGVXAUSA-N 1 0 421.929 1.828 20 0 HDADRO Cn1c(=O)ccc2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164829766 720320312 /nfs/dbraw/zinc/32/03/12/720320312.db2.gz NNRQBPHGMMDIAM-RTBURBONSA-N 1 0 409.534 1.845 20 0 HDADRO CCOC(=O)c1c(C)ncnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827155 720320618 /nfs/dbraw/zinc/32/06/18/720320618.db2.gz GYJLKCYMWVDVRX-ROUUACIJSA-N 1 0 415.538 1.873 20 0 HDADRO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2c2ncccc2C[NH+]2CCCC2)O1 ZINC001164721646 720324267 /nfs/dbraw/zinc/32/42/67/720324267.db2.gz CSLAIVLGPURRAU-XUVXKRRUSA-N 1 0 402.539 1.909 20 0 HDADRO CCOC(=O)c1nccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164831293 720343081 /nfs/dbraw/zinc/34/30/81/720343081.db2.gz YTLHXEDCXIBZIN-SJORKVTESA-N 1 0 401.511 1.565 20 0 HDADRO CON(C)C(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164821793 720346454 /nfs/dbraw/zinc/34/64/54/720346454.db2.gz BZQNBUZYTOITNZ-RBUKOAKNSA-N 1 0 415.538 1.627 20 0 HDADRO CNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828775 720353831 /nfs/dbraw/zinc/35/38/31/720353831.db2.gz PUBAAPHEJKCPBH-HZPDHXFCSA-N 1 0 420.945 1.401 20 0 HDADRO CN(C)c1cccc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)[nH+]1 ZINC001164824127 720435575 /nfs/dbraw/zinc/43/55/75/720435575.db2.gz MKVLTVNPFGUKGT-QGZVFWFLSA-N 1 0 400.527 1.334 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CC[C@H]4OCC[C@@]4(C(=O)Nc4cccnc4)C3)nn2)CC1 ZINC001164729001 720498684 /nfs/dbraw/zinc/49/86/84/720498684.db2.gz QIRJZBQMMIBZIE-XMSQKQJNSA-N 1 0 423.521 1.248 20 0 HDADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3ccsc3c(N3CCOCC3)n2)C1 ZINC001164732753 720508686 /nfs/dbraw/zinc/50/86/86/720508686.db2.gz WRUNVZAKPAWRDL-HNNXBMFYSA-N 1 0 413.551 1.922 20 0 HDADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3scnc3c(N3CCOCC3)n2)C1 ZINC001164732297 720510881 /nfs/dbraw/zinc/51/08/81/720510881.db2.gz URIJAUWPKGCNQJ-AWEZNQCLSA-N 1 0 414.539 1.317 20 0 HDADRO COc1nc(N2CCCCCC2)nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164733849 720523170 /nfs/dbraw/zinc/52/31/70/720523170.db2.gz LWMORJCZFLYRQV-MRXNPFEDSA-N 1 0 400.531 1.655 20 0 HDADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(S(=O)(=O)N3CCCC3)cn2)C1 ZINC001164734945 720523929 /nfs/dbraw/zinc/52/39/29/720523929.db2.gz UDVANALTGTXTHN-MRXNPFEDSA-N 1 0 404.540 1.261 20 0 HDADRO CC(C)[N@@H+]1[C@@H](Cn2cccn2)C[C@@H]2CN(c3ncc4c(n3)N(C)[C@H](C)C(=O)N4)CC[C@H]21 ZINC001164840719 720549251 /nfs/dbraw/zinc/54/92/51/720549251.db2.gz SQBDZKDQKQWTTP-YWTNHNAXSA-N 1 0 424.553 1.828 20 0 HDADRO COC(=O)c1nc2cnccc2c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164728738 720569286 /nfs/dbraw/zinc/56/92/86/720569286.db2.gz LIIPYDLWAAFWRX-UHFFFAOYSA-N 1 0 407.478 1.666 20 0 HDADRO CN(C)S(=O)(=O)c1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1 ZINC001164736732 720581651 /nfs/dbraw/zinc/58/16/51/720581651.db2.gz RZVJPAOHSAMDMP-UHFFFAOYSA-N 1 0 404.540 1.187 20 0 HDADRO CNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1 ZINC001164842857 720602443 /nfs/dbraw/zinc/60/24/43/720602443.db2.gz WBIJUNXNXNJVSQ-ZHALLVOQSA-N 1 0 418.567 1.564 20 0 HDADRO COC(=O)c1ncnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1OC ZINC001164838237 720649536 /nfs/dbraw/zinc/64/95/36/720649536.db2.gz GQLZLPBPBKGLSD-IXDOHACOSA-N 1 0 414.510 1.846 20 0 HDADRO COc1cc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c(OC)c1 ZINC001164738475 720709281 /nfs/dbraw/zinc/70/92/81/720709281.db2.gz JYQPUCBVBUNJOK-GDBMZVCRSA-N 1 0 408.462 1.779 20 0 HDADRO CN(C)c1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740502 720721608 /nfs/dbraw/zinc/72/16/08/720721608.db2.gz QQHVXWFRCPPFDS-ZWKOTPCHSA-N 1 0 418.505 1.737 20 0 HDADRO CN(C)c1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740495 720722089 /nfs/dbraw/zinc/72/20/89/720722089.db2.gz QQHVXWFRCPPFDS-MSOLQXFVSA-N 1 0 418.505 1.737 20 0 HDADRO CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)[nH]c-2n1 ZINC001164746301 720733066 /nfs/dbraw/zinc/73/30/66/720733066.db2.gz XCMFKHARPJNPJW-JKSUJKDBSA-N 1 0 408.462 1.872 20 0 HDADRO FC(F)(COc1ccc(Cl)nn1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743419 720762117 /nfs/dbraw/zinc/76/21/17/720762117.db2.gz QAEFMTICOMVKEP-CHWSQXEVSA-N 1 0 412.828 1.729 20 0 HDADRO O=c1ccccn1Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737174 720770579 /nfs/dbraw/zinc/77/05/79/720770579.db2.gz AJETZLHWFADKPD-MOPGFXCFSA-N 1 0 404.474 1.424 20 0 HDADRO O=c1ccccn1Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164737175 720771536 /nfs/dbraw/zinc/77/15/36/720771536.db2.gz AJETZLHWFADKPD-OALUTQOASA-N 1 0 404.474 1.424 20 0 HDADRO CN1CCc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2C1 ZINC001164743516 720801285 /nfs/dbraw/zinc/80/12/85/720801285.db2.gz GHQQVXGXSVAFFO-KGLIPLIRSA-N 1 0 401.902 1.250 20 0 HDADRO NC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748684 720813498 /nfs/dbraw/zinc/81/34/98/720813498.db2.gz QXNVUOHROXCNAY-ZMSDIMECSA-N 1 0 415.929 1.805 20 0 HDADRO NC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164738802 720818724 /nfs/dbraw/zinc/81/87/24/720818724.db2.gz GUMHVZARXNPVPG-IIAWOOMASA-N 1 0 416.917 1.200 20 0 HDADRO O=C([C@@H]1CC[C@H]2[C@H](CCN2c2cccc(OCC[NH+]3CCCC3)n2)O1)N1CCCO1 ZINC001164846058 720821240 /nfs/dbraw/zinc/82/12/40/720821240.db2.gz CVKSWVGSISKBHW-FHWLQOOXSA-N 1 0 416.522 1.846 20 0 HDADRO NC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164740184 720822824 /nfs/dbraw/zinc/82/28/24/720822824.db2.gz JKVUFNWQOHUAMM-IIAWOOMASA-N 1 0 416.917 1.200 20 0 HDADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cn1 ZINC001164738794 720826145 /nfs/dbraw/zinc/82/61/45/720826145.db2.gz GSUSEGBFHOXODR-JENIJYKNSA-N 1 0 411.510 1.624 20 0 HDADRO NC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745604 720829954 /nfs/dbraw/zinc/82/99/54/720829954.db2.gz XDAGZBKTIINLFY-YQQAZPJKSA-N 1 0 415.929 1.805 20 0 HDADRO Cn1c(=O)ccc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc21 ZINC001164743816 720829967 /nfs/dbraw/zinc/82/99/67/720829967.db2.gz SNAFRPGUSLSLCT-XUVXKRRUSA-N 1 0 419.533 1.904 20 0 HDADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC[C@H]2C1 ZINC001164850976 720835546 /nfs/dbraw/zinc/83/55/46/720835546.db2.gz FXVUGXLUBFTSDU-JSGCOSHPSA-N 1 0 418.872 1.552 20 0 HDADRO Clc1[n-][nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2ncnc1-2 ZINC001164745751 720836499 /nfs/dbraw/zinc/83/64/99/720836499.db2.gz NEKJRCYXVGEYCX-RBSFLKMASA-N 1 0 413.917 1.977 20 0 HDADRO CCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164741923 720836655 /nfs/dbraw/zinc/83/66/55/720836655.db2.gz FWXVDMKXFZJIHZ-NLWGTHIKSA-N 1 0 409.538 1.802 20 0 HDADRO c1cn(-c2cncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)cn1 ZINC001164747399 720838738 /nfs/dbraw/zinc/83/87/38/720838738.db2.gz QMAGQDVXSMQAPT-GUDVDZBRSA-N 1 0 405.510 1.633 20 0 HDADRO CN(C)C(=O)c1cncc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164739966 720849844 /nfs/dbraw/zinc/84/98/44/720849844.db2.gz BEPSHDGYQKTAIF-JENIJYKNSA-N 1 0 410.526 1.149 20 0 HDADRO O=C(NC1CC1)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nn1 ZINC001164750366 720852701 /nfs/dbraw/zinc/85/27/01/720852701.db2.gz PPAFNPOZQNLDKC-ILZDJORESA-N 1 0 422.537 1.340 20 0 HDADRO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2c1ccn2C ZINC001164744036 720858557 /nfs/dbraw/zinc/85/85/57/720858557.db2.gz BHEUPBGBMOXCHG-ZIFCJYIRSA-N 1 0 422.537 1.948 20 0 HDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(/C=C\C(=O)OC)cc4cc[nH]c43)CC[C@H]2C1 ZINC001164852035 720868677 /nfs/dbraw/zinc/86/86/77/720868677.db2.gz BUUKDWWOAYDXDO-VKCQWTKXSA-N 1 0 414.506 1.923 20 0 HDADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)COc3cncc(Cl)n3)CC[C@@H]2C1 ZINC001164864499 720878760 /nfs/dbraw/zinc/87/87/60/720878760.db2.gz VYLMFTUGRCOYEG-ZIAGYGMSSA-N 1 0 406.861 1.771 20 0 HDADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4c(OC)cc(OC)cc43)CC[C@@H]2C1 ZINC001164864427 720890025 /nfs/dbraw/zinc/89/00/25/720890025.db2.gz VSKYOAIMXLTFBG-DNVCBOLYSA-N 1 0 402.495 1.821 20 0 HDADRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nnc3OC)CC[C@@H]2C1 ZINC001164862885 720890263 /nfs/dbraw/zinc/89/02/63/720890263.db2.gz RSLBDRQRYJYCOU-OCCSQVGLSA-N 1 0 406.861 1.857 20 0 HDADRO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@H]4C3)cc2C1 ZINC001164858570 720891424 /nfs/dbraw/zinc/89/14/24/720891424.db2.gz LDQCIKSNLKMZJE-UWVAXJGDSA-N 1 0 418.538 1.318 20 0 HDADRO COc1cnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1NC(C)C ZINC001164754217 720944197 /nfs/dbraw/zinc/94/41/97/720944197.db2.gz UNPUBBTUXDQRLP-UHFFFAOYSA-N 1 0 403.487 1.148 20 0 HDADRO CCOC(=O)c1ccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1C ZINC001164752976 720945761 /nfs/dbraw/zinc/94/57/61/720945761.db2.gz PSBQALBUDSULKN-UHFFFAOYSA-N 1 0 401.467 1.409 20 0 HDADRO CC(C)N(C)Cc1c[nH+]c2n1CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)[C@H]2C ZINC001164857053 720945880 /nfs/dbraw/zinc/94/58/80/720945880.db2.gz GGDDXMAEUXHHNP-ZDUSSCGKSA-N 1 0 417.539 1.979 20 0 HDADRO CCOC(=O)/C=C\c1cccnc1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164749642 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Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]2C1 ZINC001165003070 722243908 /nfs/dbraw/zinc/24/39/08/722243908.db2.gz HNPTWCCXOXYJCH-AZUAARDMSA-N 1 0 424.549 1.149 20 0 HDADRO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@H]2C1 ZINC001165003354 722244546 /nfs/dbraw/zinc/24/45/46/722244546.db2.gz KDRRARPYVVLSNE-WIYYLYMNSA-N 1 0 409.534 1.992 20 0 HDADRO CCOC(=O)Cc1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nn1 ZINC001165002874 722255266 /nfs/dbraw/zinc/25/52/66/722255266.db2.gz VQRRMJBLJJZIEC-UHFFFAOYSA-N 1 0 402.499 1.267 20 0 HDADRO Cc1cnc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1C1C[NH2+]C1 ZINC001165006342 722271080 /nfs/dbraw/zinc/27/10/80/722271080.db2.gz NQJVMBHWKNQDBL-JOCHJYFZSA-N 1 0 410.497 1.538 20 0 HDADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000429047559 1073467675 /nfs/dbraw/zinc/46/76/75/1073467675.db2.gz XKEQEDLZMNUOMD-RTWAWAEBSA-N 1 0 412.538 1.991 20 0 HDADRO O=C(NCCN1Cc2ccccc2C1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000671396324 1073476707 /nfs/dbraw/zinc/47/67/07/1073476707.db2.gz MKKUVIXKIOAWCR-UHFFFAOYSA-N 1 0 406.530 1.853 20 0 HDADRO CNC(=O)Cn1cc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000429053903 1073476753 /nfs/dbraw/zinc/47/67/53/1073476753.db2.gz OHQAQGIJVKGXGH-SFHVURJKSA-N 1 0 400.483 1.042 20 0 HDADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CCC(c4nnc5n4CCC5)CC3)c2)CC1 ZINC000673641612 1073478317 /nfs/dbraw/zinc/47/83/17/1073478317.db2.gz AHYGFTCCZHEPNI-UHFFFAOYSA-N 1 0 408.550 1.992 20 0 HDADRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1 ZINC001299281562 1073491904 /nfs/dbraw/zinc/49/19/04/1073491904.db2.gz OUXLLICOFQLVEB-DLBZAZTESA-N 1 0 410.559 1.691 20 0 HDADRO CN(CCNC(=O)NCC1CC[NH+](C2CC2)CC1)S(=O)(=O)c1cccs1 ZINC000429071019 1073509813 /nfs/dbraw/zinc/50/98/13/1073509813.db2.gz FGKRCZKSCAFJCT-UHFFFAOYSA-N 1 0 400.570 1.542 20 0 HDADRO CCC[C@]1(C)NC(=O)N(CC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)C1=O ZINC000509101776 1073525592 /nfs/dbraw/zinc/52/55/92/1073525592.db2.gz AHOKBPIBXRZEOK-QFIPXVFZSA-N 1 0 416.522 1.840 20 0 HDADRO CS(=O)(=O)N1CCc2c(cccc2NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000429081204 1073525665 /nfs/dbraw/zinc/52/56/65/1073525665.db2.gz PUYCOYKSKLUAFR-INIZCTEOSA-N 1 0 422.551 1.190 20 0 HDADRO C[C@@H]1C[N@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C[C@H]1O ZINC000509114611 1073573369 /nfs/dbraw/zinc/57/33/69/1073573369.db2.gz WYMQCDUTDODMCQ-TZMCWYRMSA-N 1 0 402.358 1.467 20 0 HDADRO CC(C)[NH+]1CCC(C(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)CC1 ZINC000673658714 1073606081 /nfs/dbraw/zinc/60/60/81/1073606081.db2.gz UMJFNBNPEOXQRZ-UHFFFAOYSA-N 1 0 415.582 1.956 20 0 HDADRO CN(C(=O)c1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673669207 1073622530 /nfs/dbraw/zinc/62/25/30/1073622530.db2.gz FKUJFDZVZSSGKR-OAQYLSRUSA-N 1 0 400.567 1.888 20 0 HDADRO C[NH+]1CCN(Cc2ccc(C(=O)N3CCc4ccc(S(N)(=O)=O)cc43)cc2)CC1 ZINC000673673197 1073628685 /nfs/dbraw/zinc/62/86/85/1073628685.db2.gz RTZPQNSRACXGFR-UHFFFAOYSA-N 1 0 414.531 1.284 20 0 HDADRO COC[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000673674965 1073631465 /nfs/dbraw/zinc/63/14/65/1073631465.db2.gz JYQSCHDYXBKLID-ZBFHGGJFSA-N 1 0 401.429 1.919 20 0 HDADRO CC(C)[NH+](CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(C)C ZINC000673693017 1073636209 /nfs/dbraw/zinc/63/62/09/1073636209.db2.gz UNLZLRDMHNWPKQ-UHFFFAOYSA-N 1 0 414.572 1.285 20 0 HDADRO Cc1ccc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000673684432 1073639029 /nfs/dbraw/zinc/63/90/29/1073639029.db2.gz QZBRRQDBCSOFGT-HXUWFJFHSA-N 1 0 403.504 1.009 20 0 HDADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)CC2)c1 ZINC000673684795 1073640268 /nfs/dbraw/zinc/64/02/68/1073640268.db2.gz JSABLUSDAHAHKM-RXVVDRJESA-N 1 0 424.549 1.551 20 0 HDADRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1Cn1cccn1 ZINC000766021416 1073657685 /nfs/dbraw/zinc/65/76/85/1073657685.db2.gz ABHROBOAITZNRS-DENIHFKCSA-N 1 0 413.566 1.997 20 0 HDADRO C[C@@H]([NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccc2c(c1)CCC2 ZINC001168741423 1073667210 /nfs/dbraw/zinc/66/72/10/1073667210.db2.gz JDXFUAPJFVHBEN-OAHLLOKOSA-N 1 0 401.532 1.832 20 0 HDADRO C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)COCc1ccccc1 ZINC000671422281 1073672311 /nfs/dbraw/zinc/67/23/11/1073672311.db2.gz LFPUMIGPTLVLAE-TZIWHRDSSA-N 1 0 416.566 1.194 20 0 HDADRO CC(=O)N1CCC([N@H+](CCN2C(=O)NC3(CCCC3)C2=O)Cc2cncs2)CC1 ZINC000429115715 1073677035 /nfs/dbraw/zinc/67/70/35/1073677035.db2.gz PCWUQMGBRLTKRN-UHFFFAOYSA-N 1 0 419.551 1.821 20 0 HDADRO CC(C)N1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]3C2)C1=O ZINC000946691081 1073688378 /nfs/dbraw/zinc/68/83/78/1073688378.db2.gz XKRDMSCMJLINCW-FWBJLSCPSA-N 1 0 401.551 1.590 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000673755841 1073691300 /nfs/dbraw/zinc/69/13/00/1073691300.db2.gz VUVNNKHMZIDJLH-FQEVSTJZSA-N 1 0 408.550 1.722 20 0 HDADRO O=C(NC[C@@H]1CS(=O)(=O)CCO1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000509134216 1073692303 /nfs/dbraw/zinc/69/23/03/1073692303.db2.gz CGEWWKWXAXQYJF-TZIWHRDSSA-N 1 0 421.563 1.498 20 0 HDADRO Cc1cccn2cc(CCNC(=O)NCc3cccnc3N3CC[NH+](C)CC3)nc12 ZINC000673770986 1073703744 /nfs/dbraw/zinc/70/37/44/1073703744.db2.gz CUSIQJPNFGENGB-UHFFFAOYSA-N 1 0 407.522 1.831 20 0 HDADRO CC[NH+](CC)CCOC1CCN(C(=O)NCCC2CCS(=O)(=O)CC2)CC1 ZINC000509138421 1073704523 /nfs/dbraw/zinc/70/45/23/1073704523.db2.gz NVJQUPVOTOUTHS-UHFFFAOYSA-N 1 0 403.589 1.734 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000673771928 1073704992 /nfs/dbraw/zinc/70/49/92/1073704992.db2.gz PFCRSRSLUGUALX-HKUYNNGSSA-N 1 0 408.568 1.716 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000673773672 1073705574 /nfs/dbraw/zinc/70/55/74/1073705574.db2.gz UTBYHLUGHMIVNU-GOSISDBHSA-N 1 0 422.595 1.964 20 0 HDADRO O=C(N[C@@H](CCCO)c1ccccc1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000509144271 1073723111 /nfs/dbraw/zinc/72/31/11/1073723111.db2.gz OHSDZJMYQHMUMU-NRFANRHFSA-N 1 0 417.550 1.720 20 0 HDADRO CN(C(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673786484 1073731327 /nfs/dbraw/zinc/73/13/27/1073731327.db2.gz LEWHNLWOIDSTPN-KRWDZBQOSA-N 1 0 412.465 1.986 20 0 HDADRO CC[NH+]1CCN(CCNC(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)CC1 ZINC000509143049 1073732998 /nfs/dbraw/zinc/73/29/98/1073732998.db2.gz LDYKVZZBCWLBGT-UHFFFAOYSA-N 1 0 411.550 1.911 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000429137392 1073749566 /nfs/dbraw/zinc/74/95/66/1073749566.db2.gz TUIBASMCTCVVDF-UHFFFAOYSA-N 1 0 411.572 1.125 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000501253687 1073767077 /nfs/dbraw/zinc/76/70/77/1073767077.db2.gz NBIAVMLZWJKEJO-ZACQAIPSSA-N 1 0 411.568 1.945 20 0 HDADRO CCS(=O)(=O)N1CC(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000429145468 1073780812 /nfs/dbraw/zinc/78/08/12/1073780812.db2.gz WACVAKQBTPKURW-IHWFROFDSA-N 1 0 420.579 1.763 20 0 HDADRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000216380301 1073793172 /nfs/dbraw/zinc/79/31/72/1073793172.db2.gz WRXUQGLEHNPQMD-WMLDXEAASA-N 1 0 402.520 1.837 20 0 HDADRO COc1ccccc1C[C@@H]([NH2+][C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)C ZINC000543490063 1073796916 /nfs/dbraw/zinc/79/69/16/1073796916.db2.gz AXFBUEQTLCKJOA-UKRRQHHQSA-N 1 0 402.495 1.103 20 0 HDADRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C1 ZINC000140768638 1073797957 /nfs/dbraw/zinc/79/79/57/1073797957.db2.gz WZHJSVAEZHFWIU-HNNXBMFYSA-N 1 0 413.540 1.950 20 0 HDADRO CN(CCCC[NH+](C)C)C(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000673840467 1073804606 /nfs/dbraw/zinc/80/46/06/1073804606.db2.gz XRZQPPUCQDGJTQ-UHFFFAOYSA-N 1 0 420.373 1.918 20 0 HDADRO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H](CC(N)=O)C3CCOCC3)cs2)c1C ZINC000543492229 1073813173 /nfs/dbraw/zinc/81/31/73/1073813173.db2.gz FYHKFBRYADSILM-HNNXBMFYSA-N 1 0 405.524 1.281 20 0 HDADRO O=C(c1nc2ncc(Br)cn2n1)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001168745774 1073815761 /nfs/dbraw/zinc/81/57/61/1073815761.db2.gz ZXFCDQSQXGARTO-CQSZACIVSA-N 1 0 419.258 1.683 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 ZINC000673845673 1073820038 /nfs/dbraw/zinc/82/00/38/1073820038.db2.gz ZRSVCTBSKMLXEA-UHFFFAOYSA-N 1 0 411.568 1.398 20 0 HDADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000543492401 1073821623 /nfs/dbraw/zinc/82/16/23/1073821623.db2.gz VYXLSKLTGJHEEJ-CQSZACIVSA-N 1 0 411.524 1.740 20 0 HDADRO CN1CC(=O)N(c2cccc(NC(=O)N3CC[NH+](C4CCOCC4)CC3)c2)C1=O ZINC000673857730 1073824551 /nfs/dbraw/zinc/82/45/51/1073824551.db2.gz ODWRPFCKLCZPJP-UHFFFAOYSA-N 1 0 401.467 1.414 20 0 HDADRO COc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1NS(C)(=O)=O ZINC000673860836 1073828886 /nfs/dbraw/zinc/82/88/86/1073828886.db2.gz YNGIOCUGQVFPFQ-HOTGVXAUSA-N 1 0 412.512 1.130 20 0 HDADRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)cc1OC ZINC000543494470 1073831291 /nfs/dbraw/zinc/83/12/91/1073831291.db2.gz IUHGEEJAZLLTEL-PBHICJAKSA-N 1 0 407.511 1.450 20 0 HDADRO COc1ccc(C(=O)N2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)cc1 ZINC000673869562 1073834316 /nfs/dbraw/zinc/83/43/16/1073834316.db2.gz RMWSSUFBZKWTFH-UHFFFAOYSA-N 1 0 400.483 1.443 20 0 HDADRO COc1ccc(CN2CC[C@@H](NC(=O)Nc3cnn(CC[NH+](C)C)c3)C2=O)cc1 ZINC000673870621 1073834888 /nfs/dbraw/zinc/83/48/88/1073834888.db2.gz CLVRHANQTNLKLL-GOSISDBHSA-N 1 0 400.483 1.376 20 0 HDADRO CN1CCN([C@@H](CNC(=O)Nc2cnn(CC[NH+](C)C)c2)c2cccs2)CC1 ZINC000673870288 1073835484 /nfs/dbraw/zinc/83/54/84/1073835484.db2.gz LFRRQSKHIFPSAT-KRWDZBQOSA-N 1 0 405.572 1.616 20 0 HDADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](CC(N)=O)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000543494564 1073836682 /nfs/dbraw/zinc/83/66/82/1073836682.db2.gz MFGRLIAYCRZUPP-QWQRMKEZSA-N 1 0 424.567 1.314 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cn1 ZINC000673866501 1073843938 /nfs/dbraw/zinc/84/39/38/1073843938.db2.gz DIFOANIXBVDELS-IBGZPJMESA-N 1 0 404.490 1.779 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000673879575 1073850597 /nfs/dbraw/zinc/85/05/97/1073850597.db2.gz ABSMDRRDXZRHLB-CRAIPNDOSA-N 1 0 406.531 1.103 20 0 HDADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000543498825 1073853135 /nfs/dbraw/zinc/85/31/35/1073853135.db2.gz PLNGGFNZSIJDQH-OAQYLSRUSA-N 1 0 410.518 1.797 20 0 HDADRO CON(C)C(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000766040618 1073854005 /nfs/dbraw/zinc/85/40/05/1073854005.db2.gz GTYZEOKHXOSYEU-QGZVFWFLSA-N 1 0 403.483 1.090 20 0 HDADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000673883555 1073854401 /nfs/dbraw/zinc/85/44/01/1073854401.db2.gz KWQHPRXGQXQGKE-OAQYLSRUSA-N 1 0 414.550 1.992 20 0 HDADRO CN(C)c1nc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cs1 ZINC000673882197 1073854650 /nfs/dbraw/zinc/85/46/50/1073854650.db2.gz YAKPYAUCMZUSEY-SJLPKXTDSA-N 1 0 403.552 1.891 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000673884349 1073856814 /nfs/dbraw/zinc/85/68/14/1073856814.db2.gz XGAAJYVJIVBBTJ-PMACEKPBSA-N 1 0 400.523 1.682 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(Cn3cccn3)c2)CC1 ZINC000673890878 1073863314 /nfs/dbraw/zinc/86/33/14/1073863314.db2.gz GPGFFYRPMPFJNM-UHFFFAOYSA-N 1 0 413.522 1.876 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000509164510 1073868871 /nfs/dbraw/zinc/86/88/71/1073868871.db2.gz OYQWJLNSQVJVBJ-CVEARBPZSA-N 1 0 417.597 1.868 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)C2=O)c1 ZINC000673913732 1073880612 /nfs/dbraw/zinc/88/06/12/1073880612.db2.gz RZJZBUBZLKPAJD-KXBFYZLASA-N 1 0 402.495 1.593 20 0 HDADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[NH2+][C@@H](C)c2cnn(C)c2)CC1 ZINC000543506584 1073898153 /nfs/dbraw/zinc/89/81/53/1073898153.db2.gz YKYRMQHWWVSLKB-KRWDZBQOSA-N 1 0 412.538 1.416 20 0 HDADRO CCCCN(C(=O)C[NH2+][C@H](C)c1cnn(C)c1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000543505160 1073900793 /nfs/dbraw/zinc/90/07/93/1073900793.db2.gz QEKSCEAYPCYXCB-CYBMUJFWSA-N 1 0 405.503 1.159 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1=O ZINC000673930435 1073902360 /nfs/dbraw/zinc/90/23/60/1073902360.db2.gz JGQLLCIZMQOWAL-VGOFRKELSA-N 1 0 414.506 1.498 20 0 HDADRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc(Br)c1O ZINC000673930023 1073903079 /nfs/dbraw/zinc/90/30/79/1073903079.db2.gz DXKJGGQQTOZDNE-APPDUMDISA-N 1 0 412.284 1.973 20 0 HDADRO C[C@@H]([NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@@H]1OCCc2sccc21 ZINC000429176416 1073951540 /nfs/dbraw/zinc/95/15/40/1073951540.db2.gz XKFFTFNUTVBDAR-BLVKFPJESA-N 1 0 421.544 1.577 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000429177646 1073954513 /nfs/dbraw/zinc/95/45/13/1073954513.db2.gz CAMAGTRCLGUKPX-QGZVFWFLSA-N 1 0 403.593 1.116 20 0 HDADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cnn1C ZINC000543516343 1073954562 /nfs/dbraw/zinc/95/45/62/1073954562.db2.gz GFNOFRZWQDESSE-AWEZNQCLSA-N 1 0 421.523 1.039 20 0 HDADRO Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000673976771 1073963279 /nfs/dbraw/zinc/96/32/79/1073963279.db2.gz JVGLSWCCWGRQFG-XLIONFOSSA-N 1 0 416.551 1.263 20 0 HDADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccn(C(C)C)n2)C3)CC[N@@H+]1C ZINC001005014498 1073965927 /nfs/dbraw/zinc/96/59/27/1073965927.db2.gz LHGKJMPSNBZGQB-IVDHNXQLSA-N 1 0 401.555 1.985 20 0 HDADRO C[C@@H]([NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1OCCc2sccc21 ZINC000429180307 1073971765 /nfs/dbraw/zinc/97/17/65/1073971765.db2.gz JHIHSWASHVHHIB-YJYMSZOUSA-N 1 0 423.560 1.346 20 0 HDADRO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543522642 1073993185 /nfs/dbraw/zinc/99/31/85/1073993185.db2.gz OYGQAZYNACUGGG-RBUKOAKNSA-N 1 0 407.603 1.740 20 0 HDADRO CN(C)C(=O)c1cccc(NC(=O)CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000543523528 1073993626 /nfs/dbraw/zinc/99/36/26/1073993626.db2.gz GGLVTFAJHXSWRG-UHFFFAOYSA-N 1 0 415.582 1.676 20 0 HDADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000509186712 1074001543 /nfs/dbraw/zinc/00/15/43/1074001543.db2.gz NNEMSECZMWGPOC-HNNXBMFYSA-N 1 0 419.469 1.941 20 0 HDADRO CCCCn1ncc(NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1C ZINC000543525511 1074005539 /nfs/dbraw/zinc/00/55/39/1074005539.db2.gz HIFJOWCCRXLEMX-UHFFFAOYSA-N 1 0 418.586 1.806 20 0 HDADRO CCOc1cccc(NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000543528619 1074018387 /nfs/dbraw/zinc/01/83/87/1074018387.db2.gz JHWQEYQYWRMRMS-UHFFFAOYSA-N 1 0 402.539 1.900 20 0 HDADRO CNC(=O)N[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000466582845 1074020884 /nfs/dbraw/zinc/02/08/84/1074020884.db2.gz ALMKBPLXWDMQJP-GOSISDBHSA-N 1 0 402.543 1.220 20 0 HDADRO O=C(CC[C@H]1NC(=O)NC1=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000673997039 1074028832 /nfs/dbraw/zinc/02/88/32/1074028832.db2.gz PAHYKTYCKOMTEK-GOSISDBHSA-N 1 0 402.495 1.162 20 0 HDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000543533355 1074029112 /nfs/dbraw/zinc/02/91/12/1074029112.db2.gz UBJWUWHHCLRYGK-CABCVRRESA-N 1 0 422.551 1.445 20 0 HDADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466584162 1074031469 /nfs/dbraw/zinc/03/14/69/1074031469.db2.gz HHCBJDGDLXNCHJ-HZPDHXFCSA-N 1 0 411.428 1.699 20 0 HDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000466589066 1074040756 /nfs/dbraw/zinc/04/07/56/1074040756.db2.gz VQFDHECIXUYIKD-JXFKEZNVSA-N 1 0 420.579 1.763 20 0 HDADRO COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(C[NH+](C)C)CCC3)CC2)cc1 ZINC000466589562 1074045183 /nfs/dbraw/zinc/04/51/83/1074045183.db2.gz RQKZDQVZPWIRTD-UHFFFAOYSA-N 1 0 409.552 1.696 20 0 HDADRO COCc1nc2n(n1)C[C@@H](NC(=O)NCC1([NH+]3CCC(OC)CC3)CCCC1)CC2 ZINC000466597632 1074059661 /nfs/dbraw/zinc/05/96/61/1074059661.db2.gz OSASMWBSVALCBQ-INIZCTEOSA-N 1 0 420.558 1.462 20 0 HDADRO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cc1 ZINC000058921343 1074078398 /nfs/dbraw/zinc/07/83/98/1074078398.db2.gz LQNINSCPBKAGBI-UHFFFAOYSA-N 1 0 410.474 1.609 20 0 HDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC(C)(C)S(C)(=O)=O ZINC000674025118 1074086466 /nfs/dbraw/zinc/08/64/66/1074086466.db2.gz MROFEPXMKBQAIC-UHFFFAOYSA-N 1 0 412.556 1.782 20 0 HDADRO CNS(=O)(=O)Cc1ccc(CNC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000674031963 1074092061 /nfs/dbraw/zinc/09/20/61/1074092061.db2.gz GGCPUJBNJXHPHQ-UHFFFAOYSA-N 1 0 422.526 1.806 20 0 HDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)C[C@@H]1C ZINC000543556577 1074096030 /nfs/dbraw/zinc/09/60/30/1074096030.db2.gz FSQAXMPAKAKGFZ-JKSUJKDBSA-N 1 0 416.522 1.492 20 0 HDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)C1 ZINC000543559858 1074107365 /nfs/dbraw/zinc/10/73/65/1074107365.db2.gz UQSIDEHJYRGDEK-HNNXBMFYSA-N 1 0 414.510 1.340 20 0 HDADRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)CCSC1 ZINC000674039602 1074111863 /nfs/dbraw/zinc/11/18/63/1074111863.db2.gz DEAXAMQTUHPZGD-FQEVSTJZSA-N 1 0 404.536 1.301 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000674041685 1074125245 /nfs/dbraw/zinc/12/52/45/1074125245.db2.gz HOFHXNUKNAUXFL-UHFFFAOYSA-N 1 0 400.454 1.301 20 0 HDADRO Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(c3ncccc3Cl)CC1)c(=O)n2C ZINC000429217867 1074155503 /nfs/dbraw/zinc/15/55/03/1074155503.db2.gz BCOMIWBLUWTUMF-UHFFFAOYSA-N 1 0 416.913 1.752 20 0 HDADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000674158884 1074195007 /nfs/dbraw/zinc/19/50/07/1074195007.db2.gz RJRYBSGZYDROEI-UHFFFAOYSA-N 1 0 408.568 1.718 20 0 HDADRO CC[C@@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1nnc2n1CCCCC2 ZINC000674169254 1074201929 /nfs/dbraw/zinc/20/19/29/1074201929.db2.gz PHHZSAYJOMAIPE-ZWKOTPCHSA-N 1 0 403.575 1.877 20 0 HDADRO Cc1cc(N2CCC(NC(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)CC2)nc(C)n1 ZINC000674189281 1074203878 /nfs/dbraw/zinc/20/38/78/1074203878.db2.gz KDIYNPKTIVMGPO-FQEVSTJZSA-N 1 0 415.586 1.484 20 0 HDADRO Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000674190936 1074204401 /nfs/dbraw/zinc/20/44/01/1074204401.db2.gz UYORLIDDIZNBQE-KRWDZBQOSA-N 1 0 413.478 1.697 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000674198047 1074211994 /nfs/dbraw/zinc/21/19/94/1074211994.db2.gz ISVOEHCWHMUMHP-IBGZPJMESA-N 1 0 424.549 1.892 20 0 HDADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)c2)CC1 ZINC000674197643 1074212887 /nfs/dbraw/zinc/21/28/87/1074212887.db2.gz BFIWDSLEKCSVLZ-SFHVURJKSA-N 1 0 410.522 1.502 20 0 HDADRO O=C(CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429223159 1074213959 /nfs/dbraw/zinc/21/39/59/1074213959.db2.gz QILWSJXNMFSLAP-CJNGLKHVSA-N 1 0 412.494 1.858 20 0 HDADRO O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000674217746 1074229992 /nfs/dbraw/zinc/22/99/92/1074229992.db2.gz HEOQPSSEGRVVEW-MJGOQNOKSA-N 1 0 409.490 1.292 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001545674890 1074232001 /nfs/dbraw/zinc/23/20/01/1074232001.db2.gz MYXXCGAPSUXWGB-AEFFLSMTSA-N 1 0 420.583 1.618 20 0 HDADRO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1=O ZINC000674222920 1074232028 /nfs/dbraw/zinc/23/20/28/1074232028.db2.gz AGSHPHOIOSNXOT-QGPMSJSTSA-N 1 0 402.495 1.081 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000674225959 1074233633 /nfs/dbraw/zinc/23/36/33/1074233633.db2.gz NVEZLLGMGLXSRS-KUHUBIRLSA-N 1 0 412.465 1.890 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000509223100 1074251482 /nfs/dbraw/zinc/25/14/82/1074251482.db2.gz JHSQRYPFRJLIAS-INIZCTEOSA-N 1 0 417.597 1.727 20 0 HDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(c4cc(F)ccc4F)CC3)C2)CC1 ZINC000674274352 1074254347 /nfs/dbraw/zinc/25/43/47/1074254347.db2.gz NYOZUZFMOIUCGV-KRWDZBQOSA-N 1 0 407.509 1.965 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000674295905 1074258818 /nfs/dbraw/zinc/25/88/18/1074258818.db2.gz WIZHAZUOQOIFAT-MRXNPFEDSA-N 1 0 405.518 1.507 20 0 HDADRO COC1CC[NH+](CCNC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC1 ZINC000674315712 1074265609 /nfs/dbraw/zinc/26/56/09/1074265609.db2.gz DGCVQDUIQRGKKO-UHFFFAOYSA-N 1 0 424.505 1.777 20 0 HDADRO COC1CC[NH+](CCNC(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)CC1 ZINC000674316802 1074265870 /nfs/dbraw/zinc/26/58/70/1074265870.db2.gz LAPLBKBNMZIZAY-UHFFFAOYSA-N 1 0 404.511 1.700 20 0 HDADRO COC1CC[NH+](CCNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000674310692 1074268404 /nfs/dbraw/zinc/26/84/04/1074268404.db2.gz IVZYDUUVSMXECY-BTYIYWSLSA-N 1 0 408.543 1.350 20 0 HDADRO COC1CC[NH+](CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1 ZINC000674310691 1074268510 /nfs/dbraw/zinc/26/85/10/1074268510.db2.gz MLONPDYQORWJGK-INIZCTEOSA-N 1 0 415.581 1.437 20 0 HDADRO COC1CC[NH+](CCNC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000674310699 1074268574 /nfs/dbraw/zinc/26/85/74/1074268574.db2.gz IVZYDUUVSMXECY-YCRPNKLZSA-N 1 0 408.543 1.350 20 0 HDADRO COc1ccc(OC(F)F)c(NC(=O)C(=O)NCC[NH+]2CCC(OC)CC2)c1 ZINC000674320735 1074270444 /nfs/dbraw/zinc/27/04/44/1074270444.db2.gz KIBUIFVZALETIK-UHFFFAOYSA-N 1 0 401.410 1.462 20 0 HDADRO COC1CC[NH+](CCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000674323543 1074273311 /nfs/dbraw/zinc/27/33/11/1074273311.db2.gz FSAYOSFEMPCLBJ-IBGZPJMESA-N 1 0 423.579 1.455 20 0 HDADRO COC1CC[NH+](CCNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CC1 ZINC000674324276 1074274964 /nfs/dbraw/zinc/27/49/64/1074274964.db2.gz BXLCLKVNILNZMZ-UHFFFAOYSA-N 1 0 423.579 1.948 20 0 HDADRO COc1cc(C(=O)NCC(=O)NCC[NH+]2CCC(OC)CC2)ccc1OC(F)F ZINC000674325847 1074275330 /nfs/dbraw/zinc/27/53/30/1074275330.db2.gz 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COc1cc(OC)cc(N2CC[C@H](NC(=O)NCC[NH+]3CCC(OC)CC3)C2)c1 ZINC000674330874 1074285872 /nfs/dbraw/zinc/28/58/72/1074285872.db2.gz ALKSBPISDVXWRR-INIZCTEOSA-N 1 0 406.527 1.693 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@H](n3ccnc3)C2)CC1 ZINC000674330390 1074285915 /nfs/dbraw/zinc/28/59/15/1074285915.db2.gz ILTBYBVQTSVSDV-SFHVURJKSA-N 1 0 404.559 1.856 20 0 HDADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000674331614 1074286080 /nfs/dbraw/zinc/28/60/80/1074286080.db2.gz HTMSTBFOQMPELG-VQIMIIECSA-N 1 0 404.559 1.971 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000674333562 1074287468 /nfs/dbraw/zinc/28/74/68/1074287468.db2.gz XWBFDJFMQZIRKK-NEWSRXKRSA-N 1 0 408.568 1.763 20 0 HDADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000674356924 1074291052 /nfs/dbraw/zinc/29/10/52/1074291052.db2.gz AOTQYXUHQZFDBD-LJQANCHMSA-N 1 0 414.550 1.829 20 0 HDADRO COCC[NH+]1CCC(NC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000140587996 1074298140 /nfs/dbraw/zinc/29/81/40/1074298140.db2.gz YPQMFYDEDICYCK-LJQANCHMSA-N 1 0 403.527 1.369 20 0 HDADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000674369084 1074298204 /nfs/dbraw/zinc/29/82/04/1074298204.db2.gz WVHSCUOOMXCZGA-VQTJNVASSA-N 1 0 419.566 1.705 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1=O ZINC000674425296 1074327151 /nfs/dbraw/zinc/32/71/51/1074327151.db2.gz YVQMHOCGJAIHTD-XMSQKQJNSA-N 1 0 413.522 1.455 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000674427691 1074331040 /nfs/dbraw/zinc/33/10/40/1074331040.db2.gz QWZZPYVPVOOCMM-FGSXEWAUSA-N 1 0 413.522 1.671 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCc2ccccc2OCC[NH+](C)C)C1=O ZINC000674429140 1074331471 /nfs/dbraw/zinc/33/14/71/1074331471.db2.gz KJVUMTZAVIKMDA-IIBYNOLFSA-N 1 0 417.510 1.147 20 0 HDADRO 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C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2N)CC[N@@H+]1Cc1ccccc1 ZINC000670473584 1074381717 /nfs/dbraw/zinc/38/17/17/1074381717.db2.gz PAMHNFNWKHVKEF-WMZOPIPTSA-N 1 0 416.547 1.716 20 0 HDADRO Cc1ccc(NC(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1S(=O)(=O)N(C)C ZINC000429229817 1074383765 /nfs/dbraw/zinc/38/37/65/1074383765.db2.gz IPKGWEWWMBCWPL-INIZCTEOSA-N 1 0 403.504 1.646 20 0 HDADRO Cn1ncc2c1ncnc2N1CCN(C(=O)C[NH2+]C(C)(C)c2ccccc2F)CC1 ZINC000429233478 1074433328 /nfs/dbraw/zinc/43/33/28/1074433328.db2.gz WRTQUZRZCOLEGR-UHFFFAOYSA-N 1 0 411.485 1.676 20 0 HDADRO COc1cc(OC)cc(N2C[C@@H](C(=O)NCCCN3CCC[N@H+](C)CC3)CC2=O)c1 ZINC000674552442 1074434965 /nfs/dbraw/zinc/43/49/65/1074434965.db2.gz LDFAOQHRQBBBRL-KRWDZBQOSA-N 1 0 418.538 1.201 20 0 HDADRO Cc1ccc(NC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c(OCC[NH+](C)C)c1 ZINC000674569073 1074445279 /nfs/dbraw/zinc/44/52/79/1074445279.db2.gz RLSQUTSGHZICNO-VFNWGFHPSA-N 1 0 417.510 1.777 20 0 HDADRO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000674584451 1074463603 /nfs/dbraw/zinc/46/36/03/1074463603.db2.gz RGSRSTMKRAIDGH-VGSWGCGISA-N 1 0 416.522 1.858 20 0 HDADRO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000674584448 1074463609 /nfs/dbraw/zinc/46/36/09/1074463609.db2.gz RGSRSTMKRAIDGH-HTAPYJJXSA-N 1 0 416.522 1.858 20 0 HDADRO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 ZINC000674584449 1074463653 /nfs/dbraw/zinc/46/36/53/1074463653.db2.gz RGSRSTMKRAIDGH-JTSKRJEESA-N 1 0 416.522 1.858 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(OCC[NH+](CC)CC)cc3)CCN2C1=O ZINC000674594388 1074472300 /nfs/dbraw/zinc/47/23/00/1074472300.db2.gz KWHJSKRYMGELEU-SFHVURJKSA-N 1 0 402.495 1.516 20 0 HDADRO COc1ccccc1[C@H](CNC(=O)N(C)CCN1CCCS1(=O)=O)[NH+]1CCCC1 ZINC000674608335 1074477403 /nfs/dbraw/zinc/47/74/03/1074477403.db2.gz DQCURPJXAULHSJ-SFHVURJKSA-N 1 0 424.567 1.509 20 0 HDADRO CCn1nc2c(cc1=O)CN(C(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000674617214 1074487023 /nfs/dbraw/zinc/48/70/23/1074487023.db2.gz XCSOWOMGOFVQBK-UHFFFAOYSA-N 1 0 424.549 1.149 20 0 HDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCc3nn(CC)c(=O)cc3C2)[C@@H](C)C1 ZINC000674630378 1074493636 /nfs/dbraw/zinc/49/36/36/1074493636.db2.gz BLFKZMKPMDDATC-WMZOPIPTSA-N 1 0 405.543 1.468 20 0 HDADRO CC[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Oc1ccccc1C ZINC000674631313 1074494448 /nfs/dbraw/zinc/49/44/48/1074494448.db2.gz NMOWOCITDRRVRU-UXHICEINSA-N 1 0 404.555 1.858 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1=O ZINC000674639149 1074499198 /nfs/dbraw/zinc/49/91/98/1074499198.db2.gz PCFKLFUSOSQXAJ-IERDGZPVSA-N 1 0 419.501 1.619 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1=O ZINC000674641266 1074500540 /nfs/dbraw/zinc/50/05/40/1074500540.db2.gz GYKJZMGNLSOYIX-VFNWGFHPSA-N 1 0 417.510 1.606 20 0 HDADRO C[C@@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674667372 1074512222 /nfs/dbraw/zinc/51/22/22/1074512222.db2.gz GPQZFWPCCCIVOH-OAHLLOKOSA-N 1 0 409.552 1.253 20 0 HDADRO C[C@@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000674666733 1074513962 /nfs/dbraw/zinc/51/39/62/1074513962.db2.gz MDAOQTTWCDWUFV-MRXNPFEDSA-N 1 0 416.547 1.657 20 0 HDADRO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668306 1074518809 /nfs/dbraw/zinc/51/88/09/1074518809.db2.gz XPPNICPOZVMTCB-APWZRJJASA-N 1 0 407.580 1.821 20 0 HDADRO C[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674667725 1074519251 /nfs/dbraw/zinc/51/92/51/1074519251.db2.gz LRHNWSALAZCXGJ-HNNXBMFYSA-N 1 0 409.552 1.110 20 0 HDADRO C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674670571 1074520209 /nfs/dbraw/zinc/52/02/09/1074520209.db2.gz XEZSUMYWMGJFRH-KBXCAEBGSA-N 1 0 407.536 1.134 20 0 HDADRO COc1cc(OC)cc(OCCCNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000674699983 1074528650 /nfs/dbraw/zinc/52/86/50/1074528650.db2.gz XWGADZKVRSTVOH-QGZVFWFLSA-N 1 0 420.554 1.940 20 0 HDADRO Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000674725297 1074541228 /nfs/dbraw/zinc/54/12/28/1074541228.db2.gz ZLLPAPLMGCJTFY-CRAIPNDOSA-N 1 0 400.527 1.802 20 0 HDADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000674764892 1074559545 /nfs/dbraw/zinc/55/95/45/1074559545.db2.gz MGLUFQGVQHTWSS-GOSISDBHSA-N 1 0 419.489 1.629 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000509236023 1074560919 /nfs/dbraw/zinc/56/09/19/1074560919.db2.gz FWBPUQQSWKHBIR-INIZCTEOSA-N 1 0 417.597 1.870 20 0 HDADRO COCC(=O)Nc1ccc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000140892229 1074568619 /nfs/dbraw/zinc/56/86/19/1074568619.db2.gz JBBAELYCNNGIKW-UHFFFAOYSA-N 1 0 403.527 1.763 20 0 HDADRO COc1ccc(-n2cc(CNC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)nn2)cc1 ZINC000674874793 1074594457 /nfs/dbraw/zinc/59/44/57/1074594457.db2.gz ZKEOMSXTPHGMBW-LJQANCHMSA-N 1 0 402.499 1.528 20 0 HDADRO COc1ccc(-n2cc(CNC(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)nn2)cc1 ZINC000674874470 1074594547 /nfs/dbraw/zinc/59/45/47/1074594547.db2.gz PDFIAXIVKFUHTI-MOPGFXCFSA-N 1 0 400.483 1.017 20 0 HDADRO CCC(=O)N1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000674909691 1074615227 /nfs/dbraw/zinc/61/52/27/1074615227.db2.gz RVQMCBQNJWGLCQ-UHFFFAOYSA-N 1 0 401.554 1.260 20 0 HDADRO O=C(C[NH+]1CCC(OCCCO)CC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000674912977 1074619850 /nfs/dbraw/zinc/61/98/50/1074619850.db2.gz RUSGVSVBXHYWPC-UHFFFAOYSA-N 1 0 404.511 1.226 20 0 HDADRO O=C(c1cn(CCO)nc1C1CCOCC1)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001168753865 1074621187 /nfs/dbraw/zinc/62/11/87/1074621187.db2.gz WNGYRTIHZRDEJE-IBGZPJMESA-N 1 0 416.497 1.565 20 0 HDADRO C[NH+]1CCN(C[C@H](NC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c2ccccc2)CC1 ZINC000674929292 1074626140 /nfs/dbraw/zinc/62/61/40/1074626140.db2.gz QSOLTAMGSRTYRZ-ACRUOGEOSA-N 1 0 402.539 1.565 20 0 HDADRO Cc1c(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000674948378 1074634728 /nfs/dbraw/zinc/63/47/28/1074634728.db2.gz TZBSFHGGHQXJMD-PMACEKPBSA-N 1 0 411.506 1.584 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000674971725 1074654862 /nfs/dbraw/zinc/65/48/62/1074654862.db2.gz HOOHROQKZZYFAH-HXUWFJFHSA-N 1 0 415.582 1.545 20 0 HDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCC(OCCCO)CC2)CC1 ZINC000674972869 1074655884 /nfs/dbraw/zinc/65/58/84/1074655884.db2.gz XALVNICMUQCFED-UHFFFAOYSA-N 1 0 418.582 1.897 20 0 HDADRO Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000674981017 1074657715 /nfs/dbraw/zinc/65/77/15/1074657715.db2.gz WRONMHNXRVWMBX-XLIONFOSSA-N 1 0 412.538 1.803 20 0 HDADRO C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000509299464 1074659969 /nfs/dbraw/zinc/65/99/69/1074659969.db2.gz YSKSGPWBOVPVQY-PXNSSMCTSA-N 1 0 416.566 1.477 20 0 HDADRO 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ZINC000466691327 1075244246 /nfs/dbraw/zinc/24/42/46/1075244246.db2.gz OACSWSZIQCCFQY-PBHICJAKSA-N 1 0 420.469 1.630 20 0 HDADRO CCOc1nc(C)ccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001005744088 1075244415 /nfs/dbraw/zinc/24/44/15/1075244415.db2.gz AKQVWOACHZYQAM-RTYCURFASA-N 1 0 400.523 1.991 20 0 HDADRO CO[C@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1Cl ZINC000675651526 1075247229 /nfs/dbraw/zinc/24/72/29/1075247229.db2.gz ALDNBFQXSFHSAO-VQIMIIECSA-N 1 0 410.946 1.733 20 0 HDADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000675665648 1075251996 /nfs/dbraw/zinc/25/19/96/1075251996.db2.gz MWTPVWGXLFUHFX-XLIONFOSSA-N 1 0 406.571 1.617 20 0 HDADRO CC(C)C[C@H](CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)N1CCOCC1 ZINC000543641676 1075252303 /nfs/dbraw/zinc/25/23/03/1075252303.db2.gz KNIBZTQORYFAHZ-OAQYLSRUSA-N 1 0 423.646 1.792 20 0 HDADRO NC(=O)C[C@H]([NH2+]CC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CCOCC1 ZINC000544454809 1075252791 /nfs/dbraw/zinc/25/27/91/1075252791.db2.gz JIPUIIHFYYZPRH-HNNXBMFYSA-N 1 0 403.401 1.462 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)c2cccc3c2OCO3)c1 ZINC000509363270 1075254699 /nfs/dbraw/zinc/25/46/99/1075254699.db2.gz CTFNTVDCBANMKJ-UHFFFAOYSA-N 1 0 405.476 1.185 20 0 HDADRO COc1cc(OC)cc(OCCNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000675715346 1075259881 /nfs/dbraw/zinc/25/98/81/1075259881.db2.gz GVFRMNACFXXNPI-KRWDZBQOSA-N 1 0 406.527 1.504 20 0 HDADRO O=c1[nH]c2cc(Br)c(S(=O)(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cc2[nH]1 ZINC000675756041 1075265269 /nfs/dbraw/zinc/26/52/69/1075265269.db2.gz XHLROTIYFDSRQZ-SNVBAGLBSA-N 1 0 415.313 1.794 20 0 HDADRO Cn1cc([C@@H]2CN(C(=O)c3ccnc(OCC[NH+](C)C)c3)CC23CCOCC3)cn1 ZINC001129050976 1075267671 /nfs/dbraw/zinc/26/76/71/1075267671.db2.gz FECRVLOCYISILM-IBGZPJMESA-N 1 0 413.522 1.792 20 0 HDADRO O=C1C[C@@H](Nc2nc(N[C@H]3CC(=O)N4CCCC[C@@H]34)cc(C3CC3)[nH+]2)[C@@H]2CCCCN12 ZINC000580358662 1075271485 /nfs/dbraw/zinc/27/14/85/1075271485.db2.gz GBSLFHLQXMKIOU-RDGPPVDQSA-N 1 0 424.549 2.485 20 0 HDADRO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N[C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000675787165 1075271858 /nfs/dbraw/zinc/27/18/58/1075271858.db2.gz YUNPWRLLWBMAIJ-LJQANCHMSA-N 1 0 415.534 1.969 20 0 HDADRO C[C@@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC[N@H+](Cc2ccccc2)C1 ZINC001129063909 1075272284 /nfs/dbraw/zinc/27/22/84/1075272284.db2.gz LYZHUUGQWHWXLA-INIZCTEOSA-N 1 0 421.501 1.226 20 0 HDADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](CS(C)(=O)=O)C2)CC1 ZINC000429378881 1075273452 /nfs/dbraw/zinc/27/34/52/1075273452.db2.gz NBVMSHASDDZWMF-SFHVURJKSA-N 1 0 407.580 1.442 20 0 HDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000675853126 1075283398 /nfs/dbraw/zinc/28/33/98/1075283398.db2.gz PQVISHAIHICVPB-GDBMZVCRSA-N 1 0 402.520 1.623 20 0 HDADRO CC[C@@H]1CN(C(=O)Nc2cccc3c2CCN3C(=O)COC)CC[N@@H+]1C[C@@H](C)O ZINC000543651518 1075284237 /nfs/dbraw/zinc/28/42/37/1075284237.db2.gz IPVDKTYZGDNRJA-HZPDHXFCSA-N 1 0 404.511 1.531 20 0 HDADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000675885443 1075289157 /nfs/dbraw/zinc/28/91/57/1075289157.db2.gz ALYYLSZTSIFZCC-ICSRJNTNSA-N 1 0 422.595 1.284 20 0 HDADRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1 ZINC000675885457 1075289186 /nfs/dbraw/zinc/28/91/86/1075289186.db2.gz BDKADIQWHHMCGU-APWZRJJASA-N 1 0 402.518 1.772 20 0 HDADRO COC(=O)c1cnoc1CN1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000509373187 1075289734 /nfs/dbraw/zinc/28/97/34/1075289734.db2.gz OIAJOFSDQHTOAE-UHFFFAOYSA-N 1 0 414.506 1.921 20 0 HDADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)c(OC)c1 ZINC000675887182 1075289793 /nfs/dbraw/zinc/28/97/93/1075289793.db2.gz YVJSQOIBULDLBM-MSOLQXFVSA-N 1 0 420.554 1.417 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 ZINC000675917755 1075291154 /nfs/dbraw/zinc/29/11/54/1075291154.db2.gz CPLILOUHVJMUIU-QGZVFWFLSA-N 1 0 418.925 1.845 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1=O ZINC000675911339 1075295422 /nfs/dbraw/zinc/29/54/22/1075295422.db2.gz TVIWEFWDSVGOOW-QXAKKESOSA-N 1 0 404.555 1.369 20 0 HDADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N(CCC(N)=O)c2ccccc2OC)[C@H]1C(C)C ZINC000429383974 1075303361 /nfs/dbraw/zinc/30/33/61/1075303361.db2.gz ZJLWTDYMVPESJT-YWZLYKJASA-N 1 0 405.495 1.423 20 0 HDADRO CN(C)c1nc2cc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)ccc2o1 ZINC000675928626 1075305411 /nfs/dbraw/zinc/30/54/11/1075305411.db2.gz MVPCZRPCSFQHDL-MRXNPFEDSA-N 1 0 414.510 1.071 20 0 HDADRO CCN(C1CCN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1)S(C)(=O)=O ZINC000731362245 1075310007 /nfs/dbraw/zinc/31/00/07/1075310007.db2.gz YQLMMJNLUWVLRH-UHFFFAOYSA-N 1 0 423.583 1.716 20 0 HDADRO Cc1ccc(Nc2cccc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c2)nn1 ZINC000484116214 1075314704 /nfs/dbraw/zinc/31/47/04/1075314704.db2.gz PKTWEOFKLUBGNI-IBGZPJMESA-N 1 0 408.506 1.907 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)CC1 ZINC000429385213 1075317234 /nfs/dbraw/zinc/31/72/34/1075317234.db2.gz HJPJGLBYOJADFC-HGRMPGJJSA-N 1 0 400.589 1.262 20 0 HDADRO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000675994888 1075319203 /nfs/dbraw/zinc/31/92/03/1075319203.db2.gz LCHJMPBDLDQYGA-NUJGCVRESA-N 1 0 402.605 1.855 20 0 HDADRO Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cn2)cc1 ZINC000564474829 1075323948 /nfs/dbraw/zinc/32/39/48/1075323948.db2.gz YLAQCLBEWBIORW-UHFFFAOYSA-N 1 0 408.462 2.518 20 0 HDADRO C[C@H]1CN(C(=O)C(=O)N[C@H](CCCO)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000509378948 1075334117 /nfs/dbraw/zinc/33/41/17/1075334117.db2.gz FNTBXOYSHKZARN-GHTZIAJQSA-N 1 0 416.566 1.243 20 0 HDADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(C(=O)[C@H](C)NC(=O)c3cccc(C)c3)C[C@H]2C)CC1 ZINC000676056033 1075334630 /nfs/dbraw/zinc/33/46/30/1075334630.db2.gz QRNIADCCOGNSIP-LVCYWYKZSA-N 1 0 414.550 1.514 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)c1ccc(Cl)cc1 ZINC000676038513 1075336885 /nfs/dbraw/zinc/33/68/85/1075336885.db2.gz SVDBHDUQIVUIGV-FGTMMUONSA-N 1 0 409.914 1.465 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000509378440 1075338373 /nfs/dbraw/zinc/33/83/73/1075338373.db2.gz JRHGHPGNRZZWMK-UYAOXDASSA-N 1 0 423.602 1.118 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](COCC2CC2)C1)c1ccc(Cl)cc1 ZINC000676043460 1075338936 /nfs/dbraw/zinc/33/89/36/1075338936.db2.gz HWXNMWHGIFUDAA-RTBURBONSA-N 1 0 423.941 1.713 20 0 HDADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000676047307 1075340191 /nfs/dbraw/zinc/34/01/91/1075340191.db2.gz MWDPCMMGGMDVTG-PWIZWCRZSA-N 1 0 415.538 1.041 20 0 HDADRO Cc1c(C(=O)N2CCS[C@@H]3COCC[C@@H]32)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000676072615 1075342908 /nfs/dbraw/zinc/34/29/08/1075342908.db2.gz NFTFUZBDKVTPEG-RBUKOAKNSA-N 1 0 413.547 1.910 20 0 HDADRO COCCc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000676092384 1075352367 /nfs/dbraw/zinc/35/23/67/1075352367.db2.gz FWJWXHQHNGXVHD-GOSISDBHSA-N 1 0 413.522 1.576 20 0 HDADRO COc1ccc(-n2cnnc2SCC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000523312159 1075353236 /nfs/dbraw/zinc/35/32/36/1075353236.db2.gz DODQBHDWIIHGRJ-UHFFFAOYSA-N 1 0 401.496 1.765 20 0 HDADRO CC(=O)Nc1cccc(OCCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000676093916 1075353586 /nfs/dbraw/zinc/35/35/86/1075353586.db2.gz BLKGRZOZZKHMGK-UHFFFAOYSA-N 1 0 408.418 1.359 20 0 HDADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)N2CCCC2)o1 ZINC000676093473 1075354334 /nfs/dbraw/zinc/35/43/34/1075354334.db2.gz JUNGTHXQDHJXKJ-KRWDZBQOSA-N 1 0 402.499 1.238 20 0 HDADRO CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C(=O)OC)C[C@H]3C(=O)OC)cc2)CC1 ZINC000509381678 1075355279 /nfs/dbraw/zinc/35/52/79/1075355279.db2.gz WZKPGBPPLOTUBT-MJGOQNOKSA-N 1 0 417.506 1.395 20 0 HDADRO CCOc1cccc(N2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)n1 ZINC000676094789 1075355690 /nfs/dbraw/zinc/35/56/90/1075355690.db2.gz QZIRQDXHCGNECC-UHFFFAOYSA-N 1 0 421.461 1.348 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cn1 ZINC000676094460 1075356259 /nfs/dbraw/zinc/35/62/59/1075356259.db2.gz YOFOKCFWMCJDCL-UHFFFAOYSA-N 1 0 418.542 1.024 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2sccc2Br)cn1 ZINC000676094208 1075356993 /nfs/dbraw/zinc/35/69/93/1075356993.db2.gz TXYJHWHMXQKAPK-UHFFFAOYSA-N 1 0 400.302 1.524 20 0 HDADRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676096795 1075358837 /nfs/dbraw/zinc/35/88/37/1075358837.db2.gz QHFQSVZZDGXUMP-DYVFJYSZSA-N 1 0 407.902 1.929 20 0 HDADRO COc1cccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)C2)c1 ZINC000676096123 1075360117 /nfs/dbraw/zinc/36/01/17/1075360117.db2.gz GMXQWQYNZYVZGY-MRXNPFEDSA-N 1 0 414.510 1.177 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccsc2NC(=O)c2ccco2)C1 ZINC000731474397 1075361226 /nfs/dbraw/zinc/36/12/26/1075361226.db2.gz RQRZUVAOCKGMIN-CYBMUJFWSA-N 1 0 404.492 1.911 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cn1 ZINC000676097078 1075361282 /nfs/dbraw/zinc/36/12/82/1075361282.db2.gz UFGLBHLHBOCCNP-UHFFFAOYSA-N 1 0 417.857 1.403 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1nc(-c2cccc(F)c2)no1 ZINC000676097495 1075361605 /nfs/dbraw/zinc/36/16/05/1075361605.db2.gz OVGFUBDVYBTCJT-GFCCVEGCSA-N 1 0 415.429 1.450 20 0 HDADRO O=C(NCc1cc(F)ccc1N1CCOCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676097815 1075361667 /nfs/dbraw/zinc/36/16/67/1075361667.db2.gz VJHFXFXNUDGSFZ-UHFFFAOYSA-N 1 0 424.436 1.498 20 0 HDADRO C[C@H](Cc1ccccc1Br)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676100047 1075366410 /nfs/dbraw/zinc/36/64/10/1075366410.db2.gz PAZCCRLUDWHCMA-CYBMUJFWSA-N 1 0 422.327 1.893 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000731502235 1075369089 /nfs/dbraw/zinc/36/90/89/1075369089.db2.gz HWGXYFBMCZXXQQ-UHFFFAOYSA-N 1 0 411.547 1.191 20 0 HDADRO COc1ccc(CC[C@H](C)NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000427003677 1075370440 /nfs/dbraw/zinc/37/04/40/1075370440.db2.gz ZKTMQNVKRZCBJB-INIZCTEOSA-N 1 0 413.522 2.234 20 0 HDADRO O=C(NCc1ccccc1Cn1ccnc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676089704 1075372025 /nfs/dbraw/zinc/37/20/25/1075372025.db2.gz JALQIPJPWZVSHX-UHFFFAOYSA-N 1 0 401.430 1.767 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCOc2ccc(C(F)(F)F)cc2)cn1 ZINC000676089244 1075373239 /nfs/dbraw/zinc/37/32/39/1075373239.db2.gz INZINPVGSXROJJ-UHFFFAOYSA-N 1 0 413.400 1.597 20 0 HDADRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000676089207 1075373293 /nfs/dbraw/zinc/37/32/93/1075373293.db2.gz IAHVIQSOHBPVGJ-OAHLLOKOSA-N 1 0 414.510 1.684 20 0 HDADRO CN(Cc1ccc(Br)s1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676090847 1075374129 /nfs/dbraw/zinc/37/41/29/1075374129.db2.gz JFRPSNRBDWEHRS-UHFFFAOYSA-N 1 0 414.329 1.866 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccnc(OCc3ccccc3)c2)cn1 ZINC000676090638 1075374459 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ZINC000676714548 1075657882 /nfs/dbraw/zinc/65/78/82/1075657882.db2.gz VXOQRLRHJYHAAD-ZDUSSCGKSA-N 1 0 421.972 1.345 20 0 HDADRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCCOC[C@H]3C)CC2)cc1C ZINC000676715379 1075658315 /nfs/dbraw/zinc/65/83/15/1075658315.db2.gz VRTMEUHECWVSGT-GOSISDBHSA-N 1 0 409.552 1.247 20 0 HDADRO CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCc2c1cnn2C ZINC000676716649 1075658323 /nfs/dbraw/zinc/65/83/23/1075658323.db2.gz WIERDLQKPNZHGT-IBGZPJMESA-N 1 0 403.571 1.881 20 0 HDADRO CCOCC[NH+]1CCN(Cn2ncc(Br)c(Br)c2=O)CC1 ZINC000732180345 1075663006 /nfs/dbraw/zinc/66/30/06/1075663006.db2.gz FJFWZXUMEFJLDM-UHFFFAOYSA-N 1 0 424.137 1.380 20 0 HDADRO O=C(C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)NCc1ccc(N2CCCC2=O)cc1 ZINC000732210656 1075666829 /nfs/dbraw/zinc/66/68/29/1075666829.db2.gz BPJPGPSAXQTHCV-OAQYLSRUSA-N 1 0 414.550 1.616 20 0 HDADRO O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000732211565 1075667951 /nfs/dbraw/zinc/66/79/51/1075667951.db2.gz WFYOPYRIFJBXHJ-IBGZPJMESA-N 1 0 404.555 1.324 20 0 HDADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000676747575 1075669828 /nfs/dbraw/zinc/66/98/28/1075669828.db2.gz HVEWWZCSSMCOEW-CRAIPNDOSA-N 1 0 422.551 1.007 20 0 HDADRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 ZINC000732223025 1075671839 /nfs/dbraw/zinc/67/18/39/1075671839.db2.gz CLASSHLPSPNXHB-INIZCTEOSA-N 1 0 418.581 1.653 20 0 HDADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000676740593 1075671916 /nfs/dbraw/zinc/67/19/16/1075671916.db2.gz CBVVLDOHEQMEBB-PBHICJAKSA-N 1 0 414.959 1.810 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000732254088 1075680523 /nfs/dbraw/zinc/68/05/23/1075680523.db2.gz SINCTXXKOZVIPP-YOEHRIQHSA-N 1 0 411.344 1.778 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000732251278 1075680540 /nfs/dbraw/zinc/68/05/40/1075680540.db2.gz FANIIPSCQBAWAS-QGZVFWFLSA-N 1 0 418.542 1.642 20 0 HDADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000732222643 1075680598 /nfs/dbraw/zinc/68/05/98/1075680598.db2.gz IGTZYKCMPVAAEE-UHFFFAOYSA-N 1 0 418.475 1.807 20 0 HDADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000732222591 1075680914 /nfs/dbraw/zinc/68/09/14/1075680914.db2.gz GSZVQRSBISDBAX-UHFFFAOYSA-N 1 0 417.487 1.678 20 0 HDADRO CCc1ccc([C@H](CNC(=O)N2CCN(c3nc(N)ns3)CC2)[NH+](C)C)cc1 ZINC000426262708 1075682787 /nfs/dbraw/zinc/68/27/87/1075682787.db2.gz YFRKPJAJTQNMRM-INIZCTEOSA-N 1 0 403.556 1.817 20 0 HDADRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000732232194 1075685189 /nfs/dbraw/zinc/68/51/89/1075685189.db2.gz FNKYLWCOXFDVKR-HOTGVXAUSA-N 1 0 405.561 1.464 20 0 HDADRO COc1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)cn1 ZINC001084995990 1075695033 /nfs/dbraw/zinc/69/50/33/1075695033.db2.gz LCSYNGHXGBUKMJ-QFCZJPRCSA-N 1 0 401.507 1.565 20 0 HDADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2cnc(C3CC3)nc2N)CC1 ZINC000498553841 1075700449 /nfs/dbraw/zinc/70/04/49/1075700449.db2.gz KVFRAIKJZUZSFE-UHFFFAOYSA-N 1 0 410.522 1.839 20 0 HDADRO O=C(Nc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1)[C@H]1CCCO1 ZINC000429258928 1075707334 /nfs/dbraw/zinc/70/73/34/1075707334.db2.gz WUIAYEDTMOUGRV-VQIMIIECSA-N 1 0 402.495 1.990 20 0 HDADRO C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNc3cc(-n4cccn4)nc(N)[nH+]3)c2)C1=O ZINC000553561423 1075707879 /nfs/dbraw/zinc/70/78/79/1075707879.db2.gz FZTZCPBZLUQVOT-NRFANRHFSA-N 1 0 418.461 2.082 20 0 HDADRO CN(C)C(=O)Cn1cnc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000475841087 1075710571 /nfs/dbraw/zinc/71/05/71/1075710571.db2.gz OGEOEDKWSLQIBQ-UHFFFAOYSA-N 1 0 419.917 1.806 20 0 HDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1cc(-c2cccc(F)c2)on1 ZINC000448095283 1075715174 /nfs/dbraw/zinc/71/51/74/1075715174.db2.gz VFJLNBADNWEANV-MRXNPFEDSA-N 1 0 403.458 2.545 20 0 HDADRO CC(=O)N(Cc1ccc(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1)C1CC1 ZINC000440889705 1075715756 /nfs/dbraw/zinc/71/57/56/1075715756.db2.gz RGQQZGIPDIITIE-UHFFFAOYSA-N 1 0 418.457 2.355 20 0 HDADRO O=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000509256550 1075722259 /nfs/dbraw/zinc/72/22/59/1075722259.db2.gz JWYPKCWEGQATBL-INIZCTEOSA-N 1 0 412.581 1.496 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2ccn(Cc3ccccc3)n2)c1 ZINC000589724460 1075724900 /nfs/dbraw/zinc/72/49/00/1075724900.db2.gz SRXVGJHUEXINJV-UHFFFAOYSA-N 1 0 420.517 2.545 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC(OCc3cccc4ccccc43)C2)n1 ZINC000539190879 1075728498 /nfs/dbraw/zinc/72/84/98/1075728498.db2.gz CUNQOWJCMPDFIZ-UHFFFAOYSA-N 1 0 421.501 1.964 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)n1 ZINC000535239636 1075729353 /nfs/dbraw/zinc/72/93/53/1075729353.db2.gz ZLRVBJFVTIJVGV-MRXNPFEDSA-N 1 0 409.494 1.424 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)n1 ZINC000559032786 1075730473 /nfs/dbraw/zinc/73/04/73/1075730473.db2.gz QDMIAQPKUUVFIL-LJQANCHMSA-N 1 0 407.877 2.134 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000429473493 1075730724 /nfs/dbraw/zinc/73/07/24/1075730724.db2.gz VKNANTJOYRNNJJ-NSHDSACASA-N 1 0 417.735 1.793 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000551633387 1075731632 /nfs/dbraw/zinc/73/16/32/1075731632.db2.gz WSQCITLGSFYTDC-OAHLLOKOSA-N 1 0 411.428 2.236 20 0 HDADRO O=C(NC[C@@H](O)Cc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000509441593 1075731866 /nfs/dbraw/zinc/73/18/66/1075731866.db2.gz KTNHCXXQQFZUFS-IBGZPJMESA-N 1 0 413.543 1.894 20 0 HDADRO CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438695036 1075734848 /nfs/dbraw/zinc/73/48/48/1075734848.db2.gz JOLQTSMRBURWAF-UHFFFAOYSA-N 1 0 423.539 1.781 20 0 HDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509259125 1075737480 /nfs/dbraw/zinc/73/74/80/1075737480.db2.gz RRFSALFISABAAU-CVEARBPZSA-N 1 0 414.597 1.932 20 0 HDADRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)cc1F ZINC000504881129 1075742594 /nfs/dbraw/zinc/74/25/94/1075742594.db2.gz FUVUSIIRDPJVAZ-UHFFFAOYSA-N 1 0 410.453 1.782 20 0 HDADRO COC(=O)c1c2c(sc1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)CCCC2 ZINC000429477458 1075744770 /nfs/dbraw/zinc/74/47/70/1075744770.db2.gz BLVGQLMMLMCKLU-ZDUSSCGKSA-N 1 0 422.551 1.104 20 0 HDADRO C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000732445752 1075747061 /nfs/dbraw/zinc/74/70/61/1075747061.db2.gz DUGYQCPNSWPEKE-MRXNPFEDSA-N 1 0 420.558 1.888 20 0 HDADRO C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000732459070 1075749635 /nfs/dbraw/zinc/74/96/35/1075749635.db2.gz NDASBRFCEGZKFV-CVEARBPZSA-N 1 0 413.563 1.484 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000490540555 1075752068 /nfs/dbraw/zinc/75/20/68/1075752068.db2.gz HVIHWXUIODLTLR-SFHVURJKSA-N 1 0 407.522 1.547 20 0 HDADRO CN(C)c1cccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000427099171 1075752307 /nfs/dbraw/zinc/75/23/07/1075752307.db2.gz FNEPPHJGRHTBPV-FQEVSTJZSA-N 1 0 424.549 2.518 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497967050 1075754352 /nfs/dbraw/zinc/75/43/52/1075754352.db2.gz ZATOOUGWPJXUEE-KSSFIOAISA-N 1 0 407.522 1.893 20 0 HDADRO O=S1(=O)CC[C@@H](N2CCN(CCC[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000509262245 1075755352 /nfs/dbraw/zinc/75/53/52/1075755352.db2.gz GORPMQJUZDCXBS-OAQYLSRUSA-N 1 0 406.596 1.003 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000438541707 1075758385 /nfs/dbraw/zinc/75/83/85/1075758385.db2.gz RYIZCUQHOPTZRY-UHFFFAOYSA-N 1 0 401.540 1.908 20 0 HDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)[N@H+](C)Cc1ccccc1 ZINC000732479969 1075758373 /nfs/dbraw/zinc/75/83/73/1075758373.db2.gz CIRVQVKFUKZGDG-KRWDZBQOSA-N 1 0 423.517 1.198 20 0 HDADRO CN(CCCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccccc1 ZINC000427030572 1075758982 /nfs/dbraw/zinc/75/89/82/1075758982.db2.gz ZYJNVDZQJNKCNO-UHFFFAOYSA-N 1 0 412.538 2.121 20 0 HDADRO C[NH+]1CCC(C)(CNC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)CC1 ZINC000509447033 1075760607 /nfs/dbraw/zinc/76/06/07/1075760607.db2.gz AMXLUXYPMXODLS-QHCPKHFHSA-N 1 0 410.518 1.976 20 0 HDADRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000543690548 1075761011 /nfs/dbraw/zinc/76/10/11/1075761011.db2.gz VJWPXBNREUPVTQ-UHFFFAOYSA-N 1 0 409.552 1.549 20 0 HDADRO C[N@H+](CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000555937418 1075760977 /nfs/dbraw/zinc/76/09/77/1075760977.db2.gz DPQPCUHMDGXSOD-UHFFFAOYSA-N 1 0 406.284 1.784 20 0 HDADRO C[N@H+](CCNC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)C1CCCC1 ZINC000483963632 1075761208 /nfs/dbraw/zinc/76/12/08/1075761208.db2.gz ZBXVMXOLKYSZLA-UHFFFAOYSA-N 1 0 404.902 1.909 20 0 HDADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCCC2=O)c1 ZINC000732489468 1075764094 /nfs/dbraw/zinc/76/40/94/1075764094.db2.gz 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CCN1CCc2ccc(NC(=O)C(=O)N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cc21 ZINC000611367720 1075914323 /nfs/dbraw/zinc/91/43/23/1075914323.db2.gz SXHSJOZVRJGHHG-HXUWFJFHSA-N 1 0 413.566 1.634 20 0 HDADRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000766186568 1075926070 /nfs/dbraw/zinc/92/60/70/1075926070.db2.gz XMQZGEPBEQXNTI-LIRRHRJNSA-N 1 0 404.492 1.876 20 0 HDADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(CCO)CCN2CCOCC2)C1 ZINC000489800212 1075931876 /nfs/dbraw/zinc/93/18/76/1075931876.db2.gz AIOZTRCLWLUXRH-FQEVSTJZSA-N 1 0 418.582 1.755 20 0 HDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)CC1 ZINC000732958332 1075931878 /nfs/dbraw/zinc/93/18/78/1075931878.db2.gz NDLUTPZXOHUDTG-UHFFFAOYSA-N 1 0 405.930 1.715 20 0 HDADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CCC2(CNC(=O)C2)CC1 ZINC000489805026 1075932202 /nfs/dbraw/zinc/93/22/02/1075932202.db2.gz IXRFTSKPEQTXEP-UHFFFAOYSA-N 1 0 400.523 1.455 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CCN(C(=O)OC(C)C)CC2)CC1=O ZINC000733001327 1075933379 /nfs/dbraw/zinc/93/33/79/1075933379.db2.gz OTKRDQPBFVWZML-WMZOPIPTSA-N 1 0 408.543 1.445 20 0 HDADRO CCOC(=O)c1[nH]c(CN2CC[NH+](C[C@H]3CCCO3)CC2)c(C(=O)OCC)c1C ZINC000611439134 1075934156 /nfs/dbraw/zinc/93/41/56/1075934156.db2.gz LGODORZINKXSSK-MRXNPFEDSA-N 1 0 407.511 1.973 20 0 HDADRO C[C@@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000732998544 1075943938 /nfs/dbraw/zinc/94/39/38/1075943938.db2.gz MHDWRWINWAFFJQ-KBPBESRZSA-N 1 0 410.531 1.670 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N(CCO)CCc2ccccc2)CC1 ZINC000733046758 1075952200 /nfs/dbraw/zinc/95/22/00/1075952200.db2.gz GDESQUBHCXKFDT-UHFFFAOYSA-N 1 0 410.518 1.441 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1N1C(=O)CCC1=O ZINC000733046361 1075952467 /nfs/dbraw/zinc/95/24/67/1075952467.db2.gz PZLZFVOQKHFKTR-QGZVFWFLSA-N 1 0 412.490 1.674 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1N1C(=O)CCC1=O ZINC000733046333 1075952768 /nfs/dbraw/zinc/95/27/68/1075952768.db2.gz OZIPSQGBNRDBHN-HZPDHXFCSA-N 1 0 414.506 1.966 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1N1C(=O)CCC1=O ZINC000733046077 1075953167 /nfs/dbraw/zinc/95/31/67/1075953167.db2.gz FZEFCZDUYMJHRS-HNNXBMFYSA-N 1 0 400.479 1.578 20 0 HDADRO CC(C)(CO)[NH+]1CCN(C(=O)Cc2cccc(I)c2)CC1 ZINC000611515906 1075953464 /nfs/dbraw/zinc/95/34/64/1075953464.db2.gz RAJGBSWXAIHOFA-UHFFFAOYSA-N 1 0 402.276 1.749 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cccs1 ZINC000733035640 1075960279 /nfs/dbraw/zinc/96/02/79/1075960279.db2.gz BFWOQFQQRZHKLI-CYBMUJFWSA-N 1 0 424.539 1.914 20 0 HDADRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000733037870 1075960939 /nfs/dbraw/zinc/96/09/39/1075960939.db2.gz HOYSVCCRTMTQFW-CQSZACIVSA-N 1 0 410.531 1.815 20 0 HDADRO C[C@H](CNC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)[NH+]1CCCCC1 ZINC000733038786 1075961506 /nfs/dbraw/zinc/96/15/06/1075961506.db2.gz GJPZKJNJIDPWPP-CTNGQTDRSA-N 1 0 413.566 1.994 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CCN(C(=O)OC(C)C)CC2)CC1 ZINC000733044697 1075963823 /nfs/dbraw/zinc/96/38/23/1075963823.db2.gz UNQJQMIWTHSKTG-UHFFFAOYSA-N 1 0 411.547 1.191 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000490376866 1075964527 /nfs/dbraw/zinc/96/45/27/1075964527.db2.gz QWRRQANSZOEPKC-AWEZNQCLSA-N 1 0 421.523 1.061 20 0 HDADRO CC1CC(C(=O)NCCCCC[NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001079159702 1075965573 /nfs/dbraw/zinc/96/55/73/1075965573.db2.gz MBKPNHWQEWZYGC-TVWAUZDGSA-N 1 0 403.567 1.887 20 0 HDADRO Cc1nccnc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]3COC[C@@H]32)CC1 ZINC001079252216 1075967389 /nfs/dbraw/zinc/96/73/89/1075967389.db2.gz DNSRRMOFKQFPLG-QZEKEZNHSA-N 1 0 424.545 1.648 20 0 HDADRO Cn1nccc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]3COC[C@@H]32)CC1 ZINC001079253069 1075967637 /nfs/dbraw/zinc/96/76/37/1075967637.db2.gz YVKVVBHSKSXVLE-FYBDHJHVSA-N 1 0 412.534 1.283 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1=O ZINC000733136279 1075973167 /nfs/dbraw/zinc/97/31/67/1075973167.db2.gz WEKNVFYKHXJZFM-QAPCUYQASA-N 1 0 400.479 1.915 20 0 HDADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCn1cc[nH]c(=O)c1=O ZINC000733141472 1075974179 /nfs/dbraw/zinc/97/41/79/1075974179.db2.gz MOEKECOMRQRZBW-UHFFFAOYSA-N 1 0 412.412 1.536 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C(=O)OC)c2cc(F)ccc2F)CC1=O ZINC000733143697 1075975021 /nfs/dbraw/zinc/97/50/21/1075975021.db2.gz CVSJEHOMFXYREE-MUKKUYKPSA-N 1 0 423.460 1.628 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(CCO)CCN1CCOCC1 ZINC000491424131 1075975396 /nfs/dbraw/zinc/97/53/96/1075975396.db2.gz PHSPPDFPARYYFW-TZIWHRDSSA-N 1 0 404.555 1.233 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1=O ZINC000733129380 1075979566 /nfs/dbraw/zinc/97/95/66/1075979566.db2.gz XEONHJQTKVRCTK-HZPDHXFCSA-N 1 0 411.506 1.627 20 0 HDADRO CC[NH+]1CCN(CCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733130539 1075979906 /nfs/dbraw/zinc/97/99/06/1075979906.db2.gz OXRSQZFMPSWECS-PYCFMQQDSA-N 1 0 421.545 1.996 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1=O ZINC000733133858 1075980969 /nfs/dbraw/zinc/98/09/69/1075980969.db2.gz GDSCIMAGWXIYFR-AEFFLSMTSA-N 1 0 422.570 1.835 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(C(=O)N(C)OC)cc2)CC1=O ZINC000733147425 1075982688 /nfs/dbraw/zinc/98/26/88/1075982688.db2.gz NGGPVHGBAMSURV-FUHWJXTLSA-N 1 0 402.495 1.591 20 0 HDADRO C[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001080181745 1075985615 /nfs/dbraw/zinc/98/56/15/1075985615.db2.gz JLLLEPBVNAAEQP-BLMAIVTKSA-N 1 0 400.519 1.652 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](C3N=NC(=S)N3C)C2)CC1=O ZINC000733152526 1075987835 /nfs/dbraw/zinc/98/78/35/1075987835.db2.gz ZBOUOGFVTWJAEK-ARFHVFGLSA-N 1 0 420.583 1.143 20 0 HDADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000733154480 1075988558 /nfs/dbraw/zinc/98/85/58/1075988558.db2.gz HZAAVODXJDGPMW-QGZVFWFLSA-N 1 0 414.554 1.048 20 0 HDADRO COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1C ZINC000733156917 1075989234 /nfs/dbraw/zinc/98/92/34/1075989234.db2.gz KCVKNSPFIBGTTL-QGZVFWFLSA-N 1 0 408.543 1.437 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCc2nc3cc(F)ccc3n2C)CC1=O ZINC000733155146 1075989256 /nfs/dbraw/zinc/98/92/56/1075989256.db2.gz QZKOMMCCIQIFGO-ZBFHGGJFSA-N 1 0 401.486 1.661 20 0 HDADRO C[NH+](C)CCOC1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 ZINC000733156809 1075989568 /nfs/dbraw/zinc/98/95/68/1075989568.db2.gz PWGKBNJVJNPLMX-UHFFFAOYSA-N 1 0 421.519 1.176 20 0 HDADRO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733157582 1075990009 /nfs/dbraw/zinc/99/00/09/1075990009.db2.gz BTPOUUXKIJNAPS-MRXNPFEDSA-N 1 0 400.479 1.252 20 0 HDADRO COc1ccc(C(=O)NCCCC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000733157657 1075990181 /nfs/dbraw/zinc/99/01/81/1075990181.db2.gz BNMNUVCKKHUIPB-HXUWFJFHSA-N 1 0 403.523 1.965 20 0 HDADRO CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)N1CC[NH+](C)CC1 ZINC000733157075 1075990721 /nfs/dbraw/zinc/99/07/21/1075990721.db2.gz STNVMACHGCRUMA-INIZCTEOSA-N 1 0 412.556 1.066 20 0 HDADRO CNS(=O)(=O)c1ccc(CCC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000733158916 1075991131 /nfs/dbraw/zinc/99/11/31/1075991131.db2.gz UBWFYYVYQZLJQB-GOSISDBHSA-N 1 0 409.552 1.287 20 0 HDADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000733163746 1075996252 /nfs/dbraw/zinc/99/62/52/1075996252.db2.gz HXRNHPXHZPXIJU-UHFFFAOYSA-N 1 0 401.960 1.842 20 0 HDADRO COc1cc(N2C[C@@H](C(=O)N[C@@H](C[NH+](C)C)C(C)C)CC2=O)cc(OC)c1OC ZINC000733165238 1075997962 /nfs/dbraw/zinc/99/79/62/1075997962.db2.gz ACPZGPKCOABUSL-HOCLYGCPSA-N 1 0 407.511 1.768 20 0 HDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733170017 1075999741 /nfs/dbraw/zinc/99/97/41/1075999741.db2.gz INCQNCSDGRCXEK-RBYWHNRPSA-N 1 0 415.517 1.509 20 0 HDADRO CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001081102014 1076002188 /nfs/dbraw/zinc/00/21/88/1076002188.db2.gz YPSFBALATULXJE-MZNRPPOFSA-N 1 0 403.567 1.839 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)no1 ZINC000514015418 1076015051 /nfs/dbraw/zinc/01/50/51/1076015051.db2.gz KJHBIAHWGPCUKX-IAOVAPTHSA-N 1 0 404.515 1.247 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@H](C)C[NH+]3CCCCC3)C2)no1 ZINC000514016720 1076015553 /nfs/dbraw/zinc/01/55/53/1076015553.db2.gz ZJQNBTOMUBHXDU-WMZOPIPTSA-N 1 0 420.558 1.886 20 0 HDADRO NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000733275959 1076027322 /nfs/dbraw/zinc/02/73/22/1076027322.db2.gz RUUCPFGSVPJWJR-OJLWIZQOSA-N 1 0 410.518 1.486 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC(=O)OCc2ccccc2Cl)CC1=O ZINC000733282666 1076030705 /nfs/dbraw/zinc/03/07/05/1076030705.db2.gz JNMUYDMMBLZQBA-SJORKVTESA-N 1 0 421.925 1.832 20 0 HDADRO C[C@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)N1c2ccccc2C[C@@H]1C ZINC000733305721 1076034041 /nfs/dbraw/zinc/03/40/41/1076034041.db2.gz CMPYYZZCEVLQHR-KBPBESRZSA-N 1 0 411.506 1.849 20 0 HDADRO C[C@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)Nc1ccc(F)cc1F ZINC000733308095 1076034631 /nfs/dbraw/zinc/03/46/31/1076034631.db2.gz YBGWVRIIVNJAID-JTQLQIEISA-N 1 0 407.421 1.788 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000727068353 1076037647 /nfs/dbraw/zinc/03/76/47/1076037647.db2.gz ANCLDEDVWAEJIV-UHFFFAOYSA-N 1 0 409.575 1.844 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000727068644 1076037765 /nfs/dbraw/zinc/03/77/65/1076037765.db2.gz IWBAXDMNJLZMRF-UHFFFAOYSA-N 1 0 412.625 1.596 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000727070514 1076038270 /nfs/dbraw/zinc/03/82/70/1076038270.db2.gz HAFLVXLCJASDPM-UHFFFAOYSA-N 1 0 406.552 1.635 20 0 HDADRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=S)NCCNS(C)(=O)=O)cc2)C1 ZINC000727077595 1076039327 /nfs/dbraw/zinc/03/93/27/1076039327.db2.gz RFDDHVVVQBMINE-IYBDPMFKSA-N 1 0 412.625 1.678 20 0 HDADRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=S)NCCNS(C)(=O)=O ZINC000727085146 1076041302 /nfs/dbraw/zinc/04/13/02/1076041302.db2.gz OJGJDNVOSRWWIA-KRWDZBQOSA-N 1 0 412.625 1.473 20 0 HDADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2cn(-c3ccccc3)nn2)CC1 ZINC000733330610 1076045291 /nfs/dbraw/zinc/04/52/91/1076045291.db2.gz DUMBJLBUOQETSM-UHFFFAOYSA-N 1 0 414.510 1.874 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000727073688 1076045776 /nfs/dbraw/zinc/04/57/76/1076045776.db2.gz PFYJVXCLEGWGBK-UHFFFAOYSA-N 1 0 416.595 1.915 20 0 HDADRO NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000727109361 1076046758 /nfs/dbraw/zinc/04/67/58/1076046758.db2.gz FGOKFJAQVJKZHM-MCFDBRLESA-N 1 0 410.518 1.486 20 0 HDADRO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000727110729 1076047049 /nfs/dbraw/zinc/04/70/49/1076047049.db2.gz OYSIIUFQDWDPLR-SFHVURJKSA-N 1 0 422.445 1.766 20 0 HDADRO C[NH+]1CCN(C[C@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)c2ccccc2)CC1 ZINC000733349950 1076048703 /nfs/dbraw/zinc/04/87/03/1076048703.db2.gz FICWZWKZGGIHKK-SFHVURJKSA-N 1 0 410.584 1.488 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000727106004 1076052361 /nfs/dbraw/zinc/05/23/61/1076052361.db2.gz VJOJHIQVLLKIBA-UHFFFAOYSA-N 1 0 413.515 1.497 20 0 HDADRO Cc1csc2nc(C[NH2+][C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@H]3C)cc(=O)n12 ZINC001082652198 1076061717 /nfs/dbraw/zinc/06/17/17/1076061717.db2.gz KNEXWHKSELLJGQ-FQFHLPOYSA-N 1 0 414.531 1.424 20 0 HDADRO COc1ccc(CCN2C(=O)C(=O)N(CN3CC[C@H]([NH+]4CCCC4)C3)C2=O)cc1 ZINC000727168710 1076067959 /nfs/dbraw/zinc/06/79/59/1076067959.db2.gz AXVVBROIOORWIB-KRWDZBQOSA-N 1 0 400.479 1.156 20 0 HDADRO COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000727171696 1076069161 /nfs/dbraw/zinc/06/91/61/1076069161.db2.gz DDTOQCLTNOZCKY-MWWKQMNYSA-N 1 0 424.519 1.749 20 0 HDADRO NS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1Br ZINC000727178566 1076072819 /nfs/dbraw/zinc/07/28/19/1076072819.db2.gz ZPXQDICRUUUAER-GFCCVEGCSA-N 1 0 402.314 1.407 20 0 HDADRO CN1CC[C@H](C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1=O ZINC000733435319 1076075577 /nfs/dbraw/zinc/07/55/77/1076075577.db2.gz YLIFJFQAHBDDCL-INIZCTEOSA-N 1 0 405.520 1.586 20 0 HDADRO C[C@H](C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)S(C)(=O)=O ZINC000733452143 1076079496 /nfs/dbraw/zinc/07/94/96/1076079496.db2.gz GIIJNCGXHJNPNZ-CYBMUJFWSA-N 1 0 400.522 1.150 20 0 HDADRO O=C(COC(=O)C1(C(=O)NC2CC2)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733486779 1076081350 /nfs/dbraw/zinc/08/13/50/1076081350.db2.gz OTCHZPIKMBYENG-UHFFFAOYSA-N 1 0 417.531 1.776 20 0 HDADRO COc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C(=O)N(C)C)cc1OC ZINC000727232140 1076086739 /nfs/dbraw/zinc/08/67/39/1076086739.db2.gz XYROKCNTULUOOL-AWEZNQCLSA-N 1 0 418.494 1.041 20 0 HDADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[NH+](C)C)C2=O)cc1OC ZINC000727298484 1076091847 /nfs/dbraw/zinc/09/18/47/1076091847.db2.gz PAFCQJWQHZACFK-WJDWOHSUSA-N 1 0 407.492 1.808 20 0 HDADRO C[C@@H]1CN(C(=O)C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C[C@@H](C)O1 ZINC000727323830 1076093190 /nfs/dbraw/zinc/09/31/90/1076093190.db2.gz PBVMFYLVEUILOY-HUUCEWRRSA-N 1 0 403.479 1.702 20 0 HDADRO CC(=O)N1C[C@H](C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)Oc2ccccc21 ZINC000727333966 1076095014 /nfs/dbraw/zinc/09/50/14/1076095014.db2.gz QLXVLQPFGCBZPF-OAQYLSRUSA-N 1 0 424.501 1.408 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@@H](NC(=O)OC)C(C)C)cc2)CC1 ZINC000733553838 1076097191 /nfs/dbraw/zinc/09/71/91/1076097191.db2.gz ASSUBTZMYLZCEB-IBGZPJMESA-N 1 0 420.510 1.691 20 0 HDADRO CCC[N@@H+]1Cc2cccc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)c2C1 ZINC000727343013 1076097301 /nfs/dbraw/zinc/09/73/01/1076097301.db2.gz XBHCZUJEATVMSV-HNNXBMFYSA-N 1 0 418.519 1.516 20 0 HDADRO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000727375728 1076100698 /nfs/dbraw/zinc/10/06/98/1076100698.db2.gz UMCLIONUTLMSNK-NHCUHLMSSA-N 1 0 414.550 1.930 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2cc(Cl)nc(N(C)C)c2)C1 ZINC000733574650 1076124700 /nfs/dbraw/zinc/12/47/00/1076124700.db2.gz LCTZLGSIIYDKJY-OAHLLOKOSA-N 1 0 412.918 1.431 20 0 HDADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2Br)CC1 ZINC000727450549 1076131581 /nfs/dbraw/zinc/13/15/81/1076131581.db2.gz CEUWSUGXZFMNOB-KPKJPENVSA-N 1 0 416.341 1.455 20 0 HDADRO C[C@@H](CNC(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000733645403 1076137843 /nfs/dbraw/zinc/13/78/43/1076137843.db2.gz IWLCQZJGWOGFDC-IBGZPJMESA-N 1 0 407.603 1.885 20 0 HDADRO CCCC1N=NC(=S)N1CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000727489574 1076143563 /nfs/dbraw/zinc/14/35/63/1076143563.db2.gz LIDNUFVJCWDVMJ-UHFFFAOYSA-N 1 0 404.540 1.127 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC(=O)Nc3ccccc3)cc2)CC1 ZINC000733669076 1076150091 /nfs/dbraw/zinc/15/00/91/1076150091.db2.gz LRYODNGGHMGTJH-UHFFFAOYSA-N 1 0 423.517 1.912 20 0 HDADRO COC(=O)Nc1cc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)ccc1F ZINC000727610927 1076180971 /nfs/dbraw/zinc/18/09/71/1076180971.db2.gz MEPDTVIKHVWGIX-UHFFFAOYSA-N 1 0 409.462 1.085 20 0 HDADRO CC(=O)N1C[C@@H](C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)Oc2ccccc21 ZINC000727715391 1076208312 /nfs/dbraw/zinc/20/83/12/1076208312.db2.gz HJHJVINNGXATAA-OFNKIYASSA-N 1 0 422.529 1.905 20 0 HDADRO O=C(c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000733805993 1076210784 /nfs/dbraw/zinc/21/07/84/1076210784.db2.gz TUHNNNMMFBWHDF-HNNXBMFYSA-N 1 0 420.560 1.999 20 0 HDADRO NC(=O)[C@H]1CC(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)=NN1c1ccc(F)cc1 ZINC000727734603 1076214008 /nfs/dbraw/zinc/21/40/08/1076214008.db2.gz OICCIAYSULDQFQ-IEBWSBKVSA-N 1 0 401.486 1.723 20 0 HDADRO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000022693323 1076218771 /nfs/dbraw/zinc/21/87/71/1076218771.db2.gz VHQTWKOPJFLPSB-GOSISDBHSA-N 1 0 411.568 1.445 20 0 HDADRO CC(C)(CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)[N@@H+]1CCc2ccccc2C1 ZINC000727768138 1076221625 /nfs/dbraw/zinc/22/16/25/1076221625.db2.gz XNYMOTHGCWPZQW-IBGZPJMESA-N 1 0 414.531 1.670 20 0 HDADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727752322 1076225751 /nfs/dbraw/zinc/22/57/51/1076225751.db2.gz QWMGDMIBLJWKRG-IBGZPJMESA-N 1 0 400.504 1.497 20 0 HDADRO CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000727754094 1076228298 /nfs/dbraw/zinc/22/82/98/1076228298.db2.gz FJPUCROWDWZSNC-LJQANCHMSA-N 1 0 415.519 1.497 20 0 HDADRO S=C(NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)NC1CCOCC1 ZINC000727780502 1076233542 /nfs/dbraw/zinc/23/35/42/1076233542.db2.gz NROGFVPUYKZCLK-UHFFFAOYSA-N 1 0 407.609 1.673 20 0 HDADRO O=S(=O)(c1ccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1)N1CCOCC1 ZINC000531657867 1076237834 /nfs/dbraw/zinc/23/78/34/1076237834.db2.gz XPDVAVFUPHPKEF-UHFFFAOYSA-N 1 0 418.441 1.756 20 0 HDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2CC[NH+](CCN(C)C)CC2)c1 ZINC000733882432 1076238125 /nfs/dbraw/zinc/23/81/25/1076238125.db2.gz MGTKKTNIENGNDZ-UHFFFAOYSA-N 1 0 416.975 1.252 20 0 HDADRO COc1ccc2c(C)c(CCC(=O)NC[C@@H](C)N3CC[NH+](C)CC3)c(=O)oc2c1 ZINC000733882494 1076238468 /nfs/dbraw/zinc/23/84/68/1076238468.db2.gz PMSUBLOFEWFAGX-OAHLLOKOSA-N 1 0 401.507 1.795 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)no1 ZINC000532805065 1076239226 /nfs/dbraw/zinc/23/92/26/1076239226.db2.gz ZHHBWLYDKRUJOE-ROUUACIJSA-N 1 0 403.527 1.988 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCC[NH+](C(C)C)C(C)C)C2)no1 ZINC000532845705 1076240524 /nfs/dbraw/zinc/24/05/24/1076240524.db2.gz YVJMDEXYWKTTOD-KRWDZBQOSA-N 1 0 408.547 1.883 20 0 HDADRO CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000534183910 1076246945 /nfs/dbraw/zinc/24/69/45/1076246945.db2.gz OBGPMCJEAGBWSR-SFTDATJTSA-N 1 0 416.543 1.844 20 0 HDADRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)C1 ZINC000535388799 1076252719 /nfs/dbraw/zinc/25/27/19/1076252719.db2.gz RHIRMEICIQWIGX-KRWDZBQOSA-N 1 0 417.579 1.908 20 0 HDADRO Cn1ncc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1I ZINC000379137905 1076265766 /nfs/dbraw/zinc/26/57/66/1076265766.db2.gz YZLIYTQBWKBELZ-LBPRGKRZSA-N 1 0 418.279 1.352 20 0 HDADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000727848575 1076270559 /nfs/dbraw/zinc/27/05/59/1076270559.db2.gz LFZMUAZAFZKVOG-UHFFFAOYSA-N 1 0 424.423 1.680 20 0 HDADRO COCCN(CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C(=O)OC(C)(C)C ZINC000733954486 1076273917 /nfs/dbraw/zinc/27/39/17/1076273917.db2.gz RKZYUBZHFHNKGA-UHFFFAOYSA-N 1 0 412.575 1.356 20 0 HDADRO CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000727863212 1076275416 /nfs/dbraw/zinc/27/54/16/1076275416.db2.gz XDOZPHIKDRLQSY-OAQYLSRUSA-N 1 0 412.575 1.986 20 0 HDADRO C[C@H](CNC(=O)c1cc(S(C)(=O)=O)ccc1Br)N1CC[NH+](C)CC1 ZINC000733976456 1076280856 /nfs/dbraw/zinc/28/08/56/1076280856.db2.gz CKIVNXBEKVCKAU-GFCCVEGCSA-N 1 0 418.357 1.218 20 0 HDADRO CNC(=O)c1cncc(/C=C/C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000733978264 1076281220 /nfs/dbraw/zinc/28/12/20/1076281220.db2.gz XLPZZBUHJXQNIQ-VOTSOKGWSA-N 1 0 408.502 1.728 20 0 HDADRO CCOC(=O)N1CCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000727945465 1076292918 /nfs/dbraw/zinc/29/29/18/1076292918.db2.gz JPTJJAJIGQRDFR-LJQANCHMSA-N 1 0 403.527 1.459 20 0 HDADRO COC(=O)N1CCN(C(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)CC1 ZINC000727946813 1076293240 /nfs/dbraw/zinc/29/32/40/1076293240.db2.gz PGIBLNFDVDSXQS-HNNXBMFYSA-N 1 0 402.495 1.896 20 0 HDADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)C3CCCCC3)cc2)CC1 ZINC000727949883 1076295171 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ZINC001165002176 722253644 /nfs/dbraw/zinc/25/36/44/722253644.db2.gz LASKYHNFPMFIKZ-UHFFFAOYSA-N 1 0 401.511 1.872 20 0 HDADRO CCNS(=O)(=O)c1ccc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1 ZINC001165004407 722256457 /nfs/dbraw/zinc/25/64/57/722256457.db2.gz RDNOLVNDRJWDNI-UHFFFAOYSA-N 1 0 422.555 1.065 20 0 HDADRO O=C(NC[C@H]1CSCCN1Cc1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429045248 1073460747 /nfs/dbraw/zinc/46/07/47/1073460747.db2.gz SMLRVVONRUBQRY-SFTDATJTSA-N 1 0 418.607 1.968 20 0 HDADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000429047555 1073467535 /nfs/dbraw/zinc/46/75/35/1073467535.db2.gz XKEQEDLZMNUOMD-LEWJYISDSA-N 1 0 412.538 1.991 20 0 HDADRO Cn1cccc1C(=O)N1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000673641139 1073472387 /nfs/dbraw/zinc/47/23/87/1073472387.db2.gz YLZDPKINHCMHAE-UHFFFAOYSA-N 1 0 409.534 1.371 20 0 HDADRO COC(=O)Cn1cc(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nn1 ZINC000429075633 1073520463 /nfs/dbraw/zinc/52/04/63/1073520463.db2.gz QTDOBJNGTKZPGF-AWEZNQCLSA-N 1 0 406.512 1.224 20 0 HDADRO COC(=O)Cn1cc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)nn1 ZINC000429079851 1073523779 /nfs/dbraw/zinc/52/37/79/1073523779.db2.gz JOFRQOHHCSCDMK-OAHLLOKOSA-N 1 0 400.483 1.476 20 0 HDADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000429083499 1073526917 /nfs/dbraw/zinc/52/69/17/1073526917.db2.gz UXYXYIKHYBHONH-INIZCTEOSA-N 1 0 422.551 1.656 20 0 HDADRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000429081708 1073527140 /nfs/dbraw/zinc/52/71/40/1073527140.db2.gz PWAHOZAEANDCIZ-IKGGRYGDSA-N 1 0 400.531 1.369 20 0 HDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+]1CCC2)[C@@H]1C[C@H]1C1CCOCC1 ZINC001004688339 1073530554 /nfs/dbraw/zinc/53/05/54/1073530554.db2.gz SKSCWTLPZDSIRV-IVDHNXQLSA-N 1 0 401.551 1.926 20 0 HDADRO COC(=O)Cn1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000429084836 1073531696 /nfs/dbraw/zinc/53/16/96/1073531696.db2.gz XMWDEPHBNVXANC-CRAIPNDOSA-N 1 0 400.483 1.161 20 0 HDADRO Cc1cnc(COCC(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)o1 ZINC000509108040 1073536437 /nfs/dbraw/zinc/53/64/37/1073536437.db2.gz HTNYPILSDYKPMA-UHFFFAOYSA-N 1 0 400.479 1.878 20 0 HDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000429088552 1073539419 /nfs/dbraw/zinc/53/94/19/1073539419.db2.gz SYZZCFCAHDDRGY-ROUUACIJSA-N 1 0 414.558 1.618 20 0 HDADRO CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C)c1 ZINC000482994378 1073548088 /nfs/dbraw/zinc/54/80/88/1073548088.db2.gz KTQKUHXZNUXQNO-SFHVURJKSA-N 1 0 401.511 1.515 20 0 HDADRO Cc1ccccc1C1(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000671416476 1073573797 /nfs/dbraw/zinc/57/37/97/1073573797.db2.gz HGHLBWYGLDUPLI-UHFFFAOYSA-N 1 0 422.529 1.903 20 0 HDADRO CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3CS(=O)(=O)CCO3)c2)CC1 ZINC000509119785 1073596432 /nfs/dbraw/zinc/59/64/32/1073596432.db2.gz CRSZKBSSVMJSLU-LJQANCHMSA-N 1 0 409.552 1.531 20 0 HDADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCN1Cc1ccccn1 ZINC000673659340 1073609458 /nfs/dbraw/zinc/60/94/58/1073609458.db2.gz RUSIKZQMHDHVOU-OAQYLSRUSA-N 1 0 423.565 1.555 20 0 HDADRO CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673668855 1073623306 /nfs/dbraw/zinc/62/33/06/1073623306.db2.gz BFRLDPVITNZQCO-ICSRJNTNSA-N 1 0 412.534 1.132 20 0 HDADRO O=C(CN[C@H](c1ccccc1)C(F)(F)F)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673673622 1073629518 /nfs/dbraw/zinc/62/95/18/1073629518.db2.gz YBIKZLPEVZGWBK-IEBWSBKVSA-N 1 0 414.472 1.402 20 0 HDADRO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000673681852 1073638909 /nfs/dbraw/zinc/63/89/09/1073638909.db2.gz OXNAKAMJHLPZRD-KRWDZBQOSA-N 1 0 420.535 1.286 20 0 HDADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)CC2)c1 ZINC000673684796 1073640203 /nfs/dbraw/zinc/64/02/03/1073640203.db2.gz JSABLUSDAHAHKM-WIYYLYMNSA-N 1 0 424.549 1.551 20 0 HDADRO NS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000015360795 1073641444 /nfs/dbraw/zinc/64/14/44/1073641444.db2.gz ADUNOSZVKJMXEU-UHFFFAOYSA-N 1 0 423.560 1.798 20 0 HDADRO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1)N1CCCCC1 ZINC000946684227 1073673740 /nfs/dbraw/zinc/67/37/40/1073673740.db2.gz BAUUMQRVQQYBKE-OSFNYYGPSA-N 1 0 401.551 1.593 20 0 HDADRO COC(=O)C[C@](C)([NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1)c1ccccn1 ZINC000509129314 1073680012 /nfs/dbraw/zinc/68/00/12/1073680012.db2.gz YMBHBBLTEANXCJ-KKSFZXQISA-N 1 0 412.446 1.327 20 0 HDADRO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000642652234 1073693618 /nfs/dbraw/zinc/69/36/18/1073693618.db2.gz LMFCGBHCRMYMSE-BBWFWOEESA-N 1 0 406.571 1.315 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000673774150 1073707652 /nfs/dbraw/zinc/70/76/52/1073707652.db2.gz SEMYARJJPAXGLY-LJQANCHMSA-N 1 0 415.582 1.845 20 0 HDADRO CN1CCC([NH+]2CCC(NC(=O)N3CCCN(CC(F)(F)F)CC3)CC2)CC1 ZINC000215983063 1073711376 /nfs/dbraw/zinc/71/13/76/1073711376.db2.gz RIZRVVAEROASAF-UHFFFAOYSA-N 1 0 405.509 1.825 20 0 HDADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000509138730 1073713742 /nfs/dbraw/zinc/71/37/42/1073713742.db2.gz MNMVNDZOYTVVDK-LJQANCHMSA-N 1 0 409.552 1.675 20 0 HDADRO CN1CCC(CNC(=O)NCCC2CCS(=O)(=O)CC2)([NH+]2CCCCC2)CC1 ZINC000509138638 1073713809 /nfs/dbraw/zinc/71/38/09/1073713809.db2.gz MCLSIAHHMNQOFK-UHFFFAOYSA-N 1 0 414.616 1.451 20 0 HDADRO COCCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000483581661 1073715660 /nfs/dbraw/zinc/71/56/60/1073715660.db2.gz FFNKHTWIESYYQC-PKOBYXMFSA-N 1 0 418.538 1.135 20 0 HDADRO COCCOc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000483581655 1073715736 /nfs/dbraw/zinc/71/57/36/1073715736.db2.gz FFNKHTWIESYYQC-HKUYNNGSSA-N 1 0 418.538 1.135 20 0 HDADRO O=C1NC2(CCOCC2)C(=O)N1C[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000766029618 1073726014 /nfs/dbraw/zinc/72/60/14/1073726014.db2.gz CPGOXKPQFCSYQC-UHFFFAOYSA-N 1 0 417.506 1.995 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)cn1 ZINC000673810334 1073754776 /nfs/dbraw/zinc/75/47/76/1073754776.db2.gz VUWZFZMIULYXEK-UHFFFAOYSA-N 1 0 413.526 1.305 20 0 HDADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000429152450 1073791988 /nfs/dbraw/zinc/79/19/88/1073791988.db2.gz WMWSWELKBGQSNR-UHFFFAOYSA-N 1 0 405.543 1.887 20 0 HDADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000543490095 1073797031 /nfs/dbraw/zinc/79/70/31/1073797031.db2.gz AIRTYSMOMLEQCM-RDTXWAMCSA-N 1 0 411.930 1.826 20 0 HDADRO CS(=O)(=O)c1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl ZINC000429153956 1073806594 /nfs/dbraw/zinc/80/65/94/1073806594.db2.gz XULNIYHQBSBDNK-OAHLLOKOSA-N 1 0 415.943 1.607 20 0 HDADRO CC[NH+](CC)CCOC1CCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000429154687 1073812059 /nfs/dbraw/zinc/81/20/59/1073812059.db2.gz LSSFKLRLYSQDQN-UHFFFAOYSA-N 1 0 404.559 1.978 20 0 HDADRO CC[NH+]1CCN(c2ccc(CNC(=O)NCc3csc(N(C)C)n3)cn2)CC1 ZINC000673850869 1073817554 /nfs/dbraw/zinc/81/75/54/1073817554.db2.gz QRVBBNQVBSVGSF-UHFFFAOYSA-N 1 0 403.556 1.745 20 0 HDADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000543492399 1073821685 /nfs/dbraw/zinc/82/16/85/1073821685.db2.gz IVCXHBJNZAEAOV-XJKSGUPXSA-N 1 0 418.494 1.908 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000673858078 1073826665 /nfs/dbraw/zinc/82/66/65/1073826665.db2.gz VAUMMBMSHVBLJH-LJQANCHMSA-N 1 0 404.511 1.919 20 0 HDADRO C[C@H]1CN(C(=O)Cn2cc(NC(=O)Nc3cnn(-c4cc[nH+]cc4)c3)cn2)C[C@H](C)O1 ZINC000673863541 1073830278 /nfs/dbraw/zinc/83/02/78/1073830278.db2.gz QYHMQCBCSITJJH-GJZGRUSLSA-N 1 0 424.465 1.744 20 0 HDADRO CN(c1ccc(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1)S(C)(=O)=O ZINC000673863667 1073830331 /nfs/dbraw/zinc/83/03/31/1073830331.db2.gz KMOCPQLXENXWIW-UHFFFAOYSA-N 1 0 400.464 1.985 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 ZINC000673867947 1073833611 /nfs/dbraw/zinc/83/36/11/1073833611.db2.gz UEELSPNZKYMEMQ-UHFFFAOYSA-N 1 0 420.539 1.551 20 0 HDADRO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)C1 ZINC000673868941 1073834205 /nfs/dbraw/zinc/83/42/05/1073834205.db2.gz JVEXQYWINHVUAY-HDICACEKSA-N 1 0 419.574 1.099 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)cn1 ZINC000673870846 1073836312 /nfs/dbraw/zinc/83/63/12/1073836312.db2.gz SGIZMAGXJJUQBJ-INIZCTEOSA-N 1 0 400.483 1.246 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)cn1 ZINC000673872442 1073837172 /nfs/dbraw/zinc/83/71/72/1073837172.db2.gz XUGPBVBJEYDXTE-UHFFFAOYSA-N 1 0 402.474 1.503 20 0 HDADRO NC(=O)c1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1F ZINC000673875736 1073842001 /nfs/dbraw/zinc/84/20/01/1073842001.db2.gz DSGXYLGPXKXTGI-DNVCBOLYSA-N 1 0 400.454 1.929 20 0 HDADRO COCCNC(=O)Cn1cc(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cn1 ZINC000673874893 1073843268 /nfs/dbraw/zinc/84/32/68/1073843268.db2.gz QMZUZENHGRVUFF-LJQANCHMSA-N 1 0 414.510 1.384 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)cn1 ZINC000673866505 1073843792 /nfs/dbraw/zinc/84/37/92/1073843792.db2.gz DIFOANIXBVDELS-LJQANCHMSA-N 1 0 404.490 1.779 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cn1 ZINC000673867733 1073844543 /nfs/dbraw/zinc/84/45/43/1073844543.db2.gz QIEUJAUHMFZJDX-UHFFFAOYSA-N 1 0 406.437 1.713 20 0 HDADRO CN(C)c1nc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cs1 ZINC000673882195 1073853963 /nfs/dbraw/zinc/85/39/63/1073853963.db2.gz YAKPYAUCMZUSEY-FUHWJXTLSA-N 1 0 403.552 1.891 20 0 HDADRO O=C(NCc1csc(-c2ccco2)n1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000673890621 1073862572 /nfs/dbraw/zinc/86/25/72/1073862572.db2.gz AWPVNXQCEYKZHC-UHFFFAOYSA-N 1 0 418.519 1.590 20 0 HDADRO CN(Cc1cc(Br)cs1)C(=O)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000673896414 1073866588 /nfs/dbraw/zinc/86/65/88/1073866588.db2.gz SLCMCTFYDJKCTD-UHFFFAOYSA-N 1 0 404.374 1.858 20 0 HDADRO COc1cc(-c2nnc(CN3CC[NH+](C(C)(C)CO)CC3)o2)cc(OC)c1OC ZINC000673896707 1073866697 /nfs/dbraw/zinc/86/66/97/1073866697.db2.gz WBSRCPWHBOEVFZ-UHFFFAOYSA-N 1 0 406.483 1.651 20 0 HDADRO CC(C)(CO)[NH+]1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000673897100 1073867804 /nfs/dbraw/zinc/86/78/04/1073867804.db2.gz KMNXPVALFIVASA-SFHVURJKSA-N 1 0 403.523 1.510 20 0 HDADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000673930295 1073902369 /nfs/dbraw/zinc/90/23/69/1073902369.db2.gz HJXPTYROSIYPHT-BDJLRTHQSA-N 1 0 403.405 1.480 20 0 HDADRO CS(=O)(=O)NCCc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000673935872 1073909609 /nfs/dbraw/zinc/90/96/09/1073909609.db2.gz VKMVNZXDIPUETO-UHFFFAOYSA-N 1 0 416.547 1.568 20 0 HDADRO Cc1c(C(=O)NC[C@H](O)COCC(C)C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000673944118 1073918404 /nfs/dbraw/zinc/91/84/04/1073918404.db2.gz FDYVBNYUXKRZQK-KRWDZBQOSA-N 1 0 401.511 1.327 20 0 HDADRO COc1ccc([C@H](CNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)[NH+](C)C)cc1OC ZINC000429173871 1073948321 /nfs/dbraw/zinc/94/83/21/1073948321.db2.gz CJBVWYOROIFUMZ-ORQFMDKSSA-N 1 0 404.511 1.615 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)NCC(C)(C)N3CC[NH+](C)CC3)C2)c1 ZINC000673970121 1073956063 /nfs/dbraw/zinc/95/60/63/1073956063.db2.gz FSLFGOSFUZBBSJ-KRWDZBQOSA-N 1 0 419.570 1.608 20 0 HDADRO Cn1cc(N2CCN(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC2=O)cn1 ZINC000429179606 1073960753 /nfs/dbraw/zinc/96/07/53/1073960753.db2.gz FZEYFBSBFGVEHE-MRXNPFEDSA-N 1 0 402.524 1.677 20 0 HDADRO CO[C@H](C)c1noc(CN2CCCN(C(=O)NCC3([NH+](C)C)CCCC3)CC2)n1 ZINC000429179633 1073965436 /nfs/dbraw/zinc/96/54/36/1073965436.db2.gz GCRDTLWLUFPAMD-MRXNPFEDSA-N 1 0 408.547 1.869 20 0 HDADRO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000030921592 1073977782 /nfs/dbraw/zinc/97/77/82/1073977782.db2.gz ZNGXINFIQHCMFZ-QZTJIDSGSA-N 1 0 423.579 1.896 20 0 HDADRO CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2OC[C@@H]4COCC[C@H]24)C3)CC1 ZINC001005049714 1073998815 /nfs/dbraw/zinc/99/88/15/1073998815.db2.gz KUJDYHLIXCLEPU-WGEHRRGWSA-N 1 0 405.539 1.018 20 0 HDADRO C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000429184274 1074001505 /nfs/dbraw/zinc/00/15/05/1074001505.db2.gz SQACMFDAHJUHDC-HOCLYGCPSA-N 1 0 415.943 1.018 20 0 HDADRO Cc1ccc(NC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000543530476 1074018883 /nfs/dbraw/zinc/01/88/83/1074018883.db2.gz DAYMXPIRWOLAQC-UHFFFAOYSA-N 1 0 411.506 1.358 20 0 HDADRO C[NH+](C)CCc1ccc(CNC(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 ZINC000466585001 1074021223 /nfs/dbraw/zinc/02/12/23/1074021223.db2.gz MVEPUXREOODKEX-UHFFFAOYSA-N 1 0 400.527 1.641 20 0 HDADRO CN1CCOC[C@@H]1C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000509192311 1074027838 /nfs/dbraw/zinc/02/78/38/1074027838.db2.gz BDHPANGVUBXFLH-JOCHJYFZSA-N 1 0 409.534 1.715 20 0 HDADRO Cc1nn(C)c2nc(C)c(CCC(=O)NCCN3CCC([NH+](C)C)CC3)c(C)c12 ZINC000674000817 1074032157 /nfs/dbraw/zinc/03/21/57/1074032157.db2.gz YBBRAFVOIUPHNB-UHFFFAOYSA-N 1 0 400.571 1.968 20 0 HDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCc3nc(COC)nn3C2)[C@H](C)C1 ZINC000466586056 1074034836 /nfs/dbraw/zinc/03/48/36/1074034836.db2.gz BYDPHWAPLUGXMV-IKGGRYGDSA-N 1 0 408.547 1.176 20 0 HDADRO CN(Cc1cccs1)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1 ZINC001273122402 1074037743 /nfs/dbraw/zinc/03/77/43/1074037743.db2.gz QFNJCBYDCRXRBM-BCDMZGRMSA-N 1 0 403.548 1.758 20 0 HDADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(C)CCC[NH+](C)C ZINC000543535956 1074038744 /nfs/dbraw/zinc/03/87/44/1074038744.db2.gz NCUKCZZTDDJXKX-UHFFFAOYSA-N 1 0 414.528 1.132 20 0 HDADRO CCOC(=O)[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CCO1 ZINC001649123442 1074048344 /nfs/dbraw/zinc/04/83/44/1074048344.db2.gz VZUYMLNBAMUBDT-VJBMBRPKSA-N 1 0 416.518 1.706 20 0 HDADRO CNC(=O)N[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000466593422 1074053567 /nfs/dbraw/zinc/05/35/67/1074053567.db2.gz PQRQSTJDYYMOLU-GOSISDBHSA-N 1 0 403.527 1.620 20 0 HDADRO COc1cc2c(cc1OC)CN(CCNC(=O)N[C@H]1C[N@@H+](C3CC3)C[C@H]1C)CC2 ZINC000466600197 1074064827 /nfs/dbraw/zinc/06/48/27/1074064827.db2.gz WTTYVKXYWHCVLU-BEFAXECRSA-N 1 0 402.539 1.844 20 0 HDADRO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000766053817 1074067888 /nfs/dbraw/zinc/06/78/88/1074067888.db2.gz IYZOYVIIOQLIND-ODCWNRFASA-N 1 0 402.582 1.905 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1=O ZINC000466603792 1074068760 /nfs/dbraw/zinc/06/87/60/1074068760.db2.gz GECSCSXEAFNPQO-BYCMXARLSA-N 1 0 406.508 1.422 20 0 HDADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)CC1 ZINC000543554502 1074075546 /nfs/dbraw/zinc/07/55/46/1074075546.db2.gz ASFACYWLNQEWOU-UHFFFAOYSA-N 1 0 402.495 1.151 20 0 HDADRO O=C(Nc1ccccc1CN1CCNC1=O)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000543554449 1074075805 /nfs/dbraw/zinc/07/58/05/1074075805.db2.gz CSLDQZFZINXAQN-QGZVFWFLSA-N 1 0 413.522 1.485 20 0 HDADRO C[C@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C1CC[NH+](C)CC1 ZINC000674023625 1074081746 /nfs/dbraw/zinc/08/17/46/1074081746.db2.gz LFGBVABOZVKMEF-HNNXBMFYSA-N 1 0 424.571 1.015 20 0 HDADRO C[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000509202540 1074087614 /nfs/dbraw/zinc/08/76/14/1074087614.db2.gz KFALDUFHVFMHAO-SMDDNHRTSA-N 1 0 409.449 1.890 20 0 HDADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NCC(C)(C)S(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC000674031530 1074090719 /nfs/dbraw/zinc/09/07/19/1074090719.db2.gz AJXUOJLQPCDEHA-HZPDHXFCSA-N 1 0 411.568 1.918 20 0 HDADRO Cc1ccc(NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(=O)[nH]1 ZINC000543558419 1074098687 /nfs/dbraw/zinc/09/86/87/1074098687.db2.gz LNXVJJQZOIYIBT-HZPDHXFCSA-N 1 0 404.511 1.772 20 0 HDADRO C[C@H]1C[C@H](NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C(=O)N1c1cnn(C)c1 ZINC000674033476 1074101626 /nfs/dbraw/zinc/10/16/26/1074101626.db2.gz KVIMROYRANWWSH-KSSFIOAISA-N 1 0 402.474 1.484 20 0 HDADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NCc1nnnn1C1CC1 ZINC000674034272 1074105258 /nfs/dbraw/zinc/10/52/58/1074105258.db2.gz WRQRHZHAQPGPGO-UHFFFAOYSA-N 1 0 413.526 1.879 20 0 HDADRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000059122897 1074108471 /nfs/dbraw/zinc/10/84/71/1074108471.db2.gz VFCMNQPFNCNALI-UHFFFAOYSA-N 1 0 421.501 1.335 20 0 HDADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1 ZINC000674038571 1074110347 /nfs/dbraw/zinc/11/03/47/1074110347.db2.gz FBGMCVIFFXGTTD-UHFFFAOYSA-N 1 0 401.511 1.355 20 0 HDADRO CC(C)(CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)S(C)(=O)=O ZINC000674041805 1074124276 /nfs/dbraw/zinc/12/42/76/1074124276.db2.gz WIJXPIMFASPXJU-UHFFFAOYSA-N 1 0 413.565 1.113 20 0 HDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cn2ccc(Br)cc2n1 ZINC000509211867 1074131598 /nfs/dbraw/zinc/13/15/98/1074131598.db2.gz PQEAVVRQQQHFAM-HNNXBMFYSA-N 1 0 422.327 1.769 20 0 HDADRO CC(C)N1C[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)CC1=O ZINC000509210632 1074134165 /nfs/dbraw/zinc/13/41/65/1074134165.db2.gz LMGRHHHWZUPTPA-HBMCJLEFSA-N 1 0 409.534 1.761 20 0 HDADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@H](c1ccccc1)N1CCOCC1 ZINC000674049340 1074142659 /nfs/dbraw/zinc/14/26/59/1074142659.db2.gz WCDXXIHORRXHOY-UYZIEWPDSA-N 1 0 400.523 1.759 20 0 HDADRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)C1 ZINC000674055539 1074149841 /nfs/dbraw/zinc/14/98/41/1074149841.db2.gz DMRYZDCPMONAJH-GDBMZVCRSA-N 1 0 409.556 1.974 20 0 HDADRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC000543578578 1074164113 /nfs/dbraw/zinc/16/41/13/1074164113.db2.gz NXYIUPXZOMSSRA-VQIMIIECSA-N 1 0 413.522 1.384 20 0 HDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000674090103 1074180552 /nfs/dbraw/zinc/18/05/52/1074180552.db2.gz PHNFKRCNAWBOIZ-QGZVFWFLSA-N 1 0 403.433 1.705 20 0 HDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)C1 ZINC000674091742 1074180709 /nfs/dbraw/zinc/18/07/09/1074180709.db2.gz VJFGGRCFPOYGSI-XLIONFOSSA-N 1 0 404.486 1.581 20 0 HDADRO CN(c1ccccc1)C1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000674158674 1074195645 /nfs/dbraw/zinc/19/56/45/1074195645.db2.gz IDZRJQWFDAYBDN-FQEVSTJZSA-N 1 0 415.582 1.703 20 0 HDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccccc3CS(C)(=O)=O)C2)CC1 ZINC000674160745 1074196719 /nfs/dbraw/zinc/19/67/19/1074196719.db2.gz YSQYNWKJMNEJNQ-SFHVURJKSA-N 1 0 408.568 1.199 20 0 HDADRO O=C(Nc1ccc2c(c1)NC(=O)CC2)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000674191071 1074204343 /nfs/dbraw/zinc/20/43/43/1074204343.db2.gz YDVFYGQKADRRCC-KRWDZBQOSA-N 1 0 400.479 1.223 20 0 HDADRO CC(C)[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C(=O)N1CCCC1 ZINC000674215340 1074228802 /nfs/dbraw/zinc/22/88/02/1074228802.db2.gz YIHDLVJBKZGKHI-SFHVURJKSA-N 1 0 404.511 1.329 20 0 HDADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000674199269 1074230839 /nfs/dbraw/zinc/23/08/39/1074230839.db2.gz OLFKUUIWLWHBPY-OAHLLOKOSA-N 1 0 412.494 1.645 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)C(=O)N1CCCC[C@H]1C ZINC000674200526 1074231612 /nfs/dbraw/zinc/23/16/12/1074231612.db2.gz XTVDPBAFWXPGAF-IAGOWNOFSA-N 1 0 418.538 1.861 20 0 HDADRO CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC001626098595 1074245743 /nfs/dbraw/zinc/24/57/43/1074245743.db2.gz MTWVGBSJPUQXFV-KRWDZBQOSA-N 1 0 424.567 1.828 20 0 HDADRO CN1CCN(C(=O)c2ccccc2NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000674278505 1074259806 /nfs/dbraw/zinc/25/98/06/1074259806.db2.gz JBAXEBJWSWGJBS-GOSISDBHSA-N 1 0 415.538 1.260 20 0 HDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)Cc3nnc4ccccn43)CC2)cc1 ZINC000674304669 1074260999 /nfs/dbraw/zinc/26/09/99/1074260999.db2.gz DHGILBVOPDRQMB-UHFFFAOYSA-N 1 0 422.533 1.904 20 0 HDADRO COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000674316228 1074265044 /nfs/dbraw/zinc/26/50/44/1074265044.db2.gz DPHIMEWEISTVOU-UHFFFAOYSA-N 1 0 420.510 1.400 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000674315522 1074265461 /nfs/dbraw/zinc/26/54/61/1074265461.db2.gz WNUJOEHHIDJVDQ-UHFFFAOYSA-N 1 0 417.554 1.723 20 0 HDADRO COC1CC[NH+](CCNC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000674309992 1074267363 /nfs/dbraw/zinc/26/73/63/1074267363.db2.gz OKJSYRIPGSEHPR-QGZVFWFLSA-N 1 0 403.479 1.247 20 0 HDADRO COC1CC[NH+](CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000674311619 1074269542 /nfs/dbraw/zinc/26/95/42/1074269542.db2.gz HLWIESTYEDTQSF-IBGZPJMESA-N 1 0 409.552 1.375 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)CC1 ZINC000674320592 1074270930 /nfs/dbraw/zinc/27/09/30/1074270930.db2.gz KWULHMRCPSBARX-UHFFFAOYSA-N 1 0 402.495 1.151 20 0 HDADRO Cn1cc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(-c2ccncc2)n1 ZINC000674323152 1074272306 /nfs/dbraw/zinc/27/23/06/1074272306.db2.gz AVFWCSBBCHYMOB-UHFFFAOYSA-N 1 0 412.538 1.839 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CNC(=O)Nc2ccccc2)CC1 ZINC000674324753 1074274314 /nfs/dbraw/zinc/27/43/14/1074274314.db2.gz WVNIKTPBZHOZRU-UHFFFAOYSA-N 1 0 403.527 1.551 20 0 HDADRO COC1CC[NH+](CCNC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)CC1 ZINC000674324450 1074274820 /nfs/dbraw/zinc/27/48/20/1074274820.db2.gz SWXWCRURMYECCA-UHFFFAOYSA-N 1 0 405.543 1.307 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(N3CCSCC3)cc2C)CC1 ZINC000674320073 1074280830 /nfs/dbraw/zinc/28/08/30/1074280830.db2.gz AYKKFPXOXZMCRB-UHFFFAOYSA-N 1 0 420.579 1.714 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000674320003 1074281399 /nfs/dbraw/zinc/28/13/99/1074281399.db2.gz BVFAXEUEVNTQPX-UHFFFAOYSA-N 1 0 416.526 1.035 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000674320807 1074282871 /nfs/dbraw/zinc/28/28/71/1074282871.db2.gz LAXMMSUXFBZIKW-UHFFFAOYSA-N 1 0 403.401 1.793 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)C2Cc3ccccc3C2)CC1 ZINC000674341105 1074284792 /nfs/dbraw/zinc/28/47/92/1074284792.db2.gz UDADFZBMUHVRIS-UHFFFAOYSA-N 1 0 421.607 1.900 20 0 HDADRO O=S(=O)(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc2c1OCO2 ZINC000509223566 1074289343 /nfs/dbraw/zinc/28/93/43/1074289343.db2.gz KYKYXRUPOXZGBI-QGZVFWFLSA-N 1 0 404.488 1.851 20 0 HDADRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1noc(Cc2ccccc2)n1 ZINC000674389959 1074307836 /nfs/dbraw/zinc/30/78/36/1074307836.db2.gz LEGCRTADEJCCCZ-SJLPKXTDSA-N 1 0 411.506 1.924 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCN1CCCS1(=O)=O ZINC000674438359 1074334900 /nfs/dbraw/zinc/33/49/00/1074334900.db2.gz BLQYOKJNVLBLOZ-MJGOQNOKSA-N 1 0 408.568 1.574 20 0 HDADRO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)[NH+](C)C)cc1 ZINC000674431742 1074343091 /nfs/dbraw/zinc/34/30/91/1074343091.db2.gz UFPIMEXQWCDJHZ-XGHQBKJUSA-N 1 0 401.511 1.617 20 0 HDADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCN2CCCS2(=O)=O)CC1 ZINC000674432966 1074343982 /nfs/dbraw/zinc/34/39/82/1074343982.db2.gz JNBGZAVXBROAEZ-KRWDZBQOSA-N 1 0 408.568 1.889 20 0 HDADRO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)CCN1CCCS1(=O)=O ZINC000674463962 1074355656 /nfs/dbraw/zinc/35/56/56/1074355656.db2.gz VVXRGLLVTBHLMQ-UHFFFAOYSA-N 1 0 404.330 1.745 20 0 HDADRO COCCOc1ccccc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000485086422 1074384719 /nfs/dbraw/zinc/38/47/19/1074384719.db2.gz NATJLXJNFVHACG-UHFFFAOYSA-N 1 0 414.462 1.403 20 0 HDADRO CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCC[C@H]2COC)C2CCCC2)c(=O)[nH]c1=O ZINC000674500144 1074393231 /nfs/dbraw/zinc/39/32/31/1074393231.db2.gz PIUYHTAHMFJBGR-INIZCTEOSA-N 1 0 421.542 1.718 20 0 HDADRO COC[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000674499472 1074393335 /nfs/dbraw/zinc/39/33/35/1074393335.db2.gz BMWXCXVKCMYIFP-LJQANCHMSA-N 1 0 421.563 1.119 20 0 HDADRO Cc1c(C(=O)NCCCNC(=O)C2CCC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000674514559 1074412552 /nfs/dbraw/zinc/41/25/52/1074412552.db2.gz RTKXPLICFAKRJU-UHFFFAOYSA-N 1 0 410.522 1.600 20 0 HDADRO Cc1c(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000674520196 1074419899 /nfs/dbraw/zinc/41/98/99/1074419899.db2.gz YPNLBOPTYYRUJI-MRXNPFEDSA-N 1 0 410.522 1.693 20 0 HDADRO COc1cc(NC(=O)CN(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc(OC)c1 ZINC000674573455 1074450351 /nfs/dbraw/zinc/45/03/51/1074450351.db2.gz SFSQLQHCFPYKRV-UHFFFAOYSA-N 1 0 404.471 1.564 20 0 HDADRO C[C@@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000429234650 1074451977 /nfs/dbraw/zinc/45/19/77/1074451977.db2.gz ZFXJTVSJGJZQHV-DYESRHJHSA-N 1 0 409.530 1.986 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000674583909 1074464676 /nfs/dbraw/zinc/46/46/76/1074464676.db2.gz NCVPCRWCTCYABJ-VGOFRKELSA-N 1 0 413.522 1.035 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000674588215 1074468417 /nfs/dbraw/zinc/46/84/17/1074468417.db2.gz BMTNJODYRVNNOD-UHFFFAOYSA-N 1 0 402.520 1.566 20 0 HDADRO CCn1nc2c(cc1=O)CN(C(=O)CC[NH+]1CCN(c3cccc(C)c3)CC1)CC2 ZINC000674593084 1074471293 /nfs/dbraw/zinc/47/12/93/1074471293.db2.gz IBZYXVBGPPLTLC-UHFFFAOYSA-N 1 0 409.534 1.669 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1=O ZINC000674637514 1074490984 /nfs/dbraw/zinc/49/09/84/1074490984.db2.gz RWUFMVYHQJCUHK-NBQZKYEYSA-N 1 0 421.929 1.962 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1=O ZINC000674639672 1074500190 /nfs/dbraw/zinc/50/01/90/1074500190.db2.gz XNTHEEWVNHOWDV-HRAATJIYSA-N 1 0 419.501 1.619 20 0 HDADRO COCCOc1ccccc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000142199931 1074515112 /nfs/dbraw/zinc/51/51/12/1074515112.db2.gz RXDFRVXWUKTSAQ-SFHVURJKSA-N 1 0 406.527 1.039 20 0 HDADRO COCCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)n1 ZINC000674682372 1074521987 /nfs/dbraw/zinc/52/19/87/1074521987.db2.gz XIGOHHGOFMQTDS-CYBMUJFWSA-N 1 0 421.885 1.728 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(CC(=O)NC(C)C)cc2)CC1 ZINC000509235894 1074524228 /nfs/dbraw/zinc/52/42/28/1074524228.db2.gz NUFVGUGVXNEMFY-UHFFFAOYSA-N 1 0 417.554 1.772 20 0 HDADRO O=C(NC1CCOCC1)c1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000674697181 1074527248 /nfs/dbraw/zinc/52/72/48/1074527248.db2.gz MECXTLAXGCXYHS-UXHICEINSA-N 1 0 416.522 1.658 20 0 HDADRO O=C(C[N@@H+]1CCOC[C@H](C2CCC2)C1)NCc1ccccc1CN1CCOCC1 ZINC000429239035 1074530891 /nfs/dbraw/zinc/53/08/91/1074530891.db2.gz SPOCRIXJDNOXOL-JOCHJYFZSA-N 1 0 401.551 1.884 20 0 HDADRO COc1cc(OC)cc(OCCCNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000674707419 1074535780 /nfs/dbraw/zinc/53/57/80/1074535780.db2.gz FQWYLTYPLBFXON-WOJBJXKFSA-N 1 0 407.511 1.713 20 0 HDADRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(C(=O)N3CCN(CC)CC3)cc2)CC1 ZINC000674745080 1074545887 /nfs/dbraw/zinc/54/58/87/1074545887.db2.gz VMWCHGUDURYBIF-HXUWFJFHSA-N 1 0 417.554 1.385 20 0 HDADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000674786014 1074565694 /nfs/dbraw/zinc/56/56/94/1074565694.db2.gz PRHBPNQVXXQHEC-WMZOPIPTSA-N 1 0 419.551 1.115 20 0 HDADRO Cc1nccnc1N1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000670484112 1074570723 /nfs/dbraw/zinc/57/07/23/1074570723.db2.gz ZRHQFIZAJLBOGG-UHFFFAOYSA-N 1 0 422.533 1.214 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000674800732 1074574536 /nfs/dbraw/zinc/57/45/36/1074574536.db2.gz OPODJWOWQJZDTM-QGZVFWFLSA-N 1 0 403.914 1.866 20 0 HDADRO CCCCN(C(=O)C[N@@H+]1CCCC[C@H]1CCO)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000674872131 1074593703 /nfs/dbraw/zinc/59/37/03/1074593703.db2.gz ULUYARXIAOAJCD-HNNXBMFYSA-N 1 0 409.531 1.311 20 0 HDADRO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000674892282 1074609026 /nfs/dbraw/zinc/60/90/26/1074609026.db2.gz BEBOHRGHJGKMGM-IXDOHACOSA-N 1 0 408.449 1.311 20 0 HDADRO O=C(C[NH+]1CCC(OCCCO)CC1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000674913140 1074619344 /nfs/dbraw/zinc/61/93/44/1074619344.db2.gz ZYDYHKBLGSBWPN-UHFFFAOYSA-N 1 0 409.571 1.537 20 0 HDADRO CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)C1 ZINC001168753809 1074619900 /nfs/dbraw/zinc/61/99/00/1074619900.db2.gz WCJDWNQWBDOADQ-GCJKJVERSA-N 1 0 421.513 1.931 20 0 HDADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000674917875 1074619918 /nfs/dbraw/zinc/61/99/18/1074619918.db2.gz OAFFXMLSEJCPNZ-SFTDATJTSA-N 1 0 402.539 1.394 20 0 HDADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000674916891 1074627314 /nfs/dbraw/zinc/62/73/14/1074627314.db2.gz GXAMURUBFUDOHN-FCHUYYIVSA-N 1 0 416.566 1.784 20 0 HDADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCC(OCCCO)CC1 ZINC000674979611 1074652161 /nfs/dbraw/zinc/65/21/61/1074652161.db2.gz BMGQVCVVIVYWKR-UHFFFAOYSA-N 1 0 405.539 1.716 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000674971288 1074655354 /nfs/dbraw/zinc/65/53/54/1074655354.db2.gz AKQCAVQXDRWAOM-UHFFFAOYSA-N 1 0 414.453 1.842 20 0 HDADRO CC(C)c1cc(NC(=O)C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)no1 ZINC000476638024 1074658442 /nfs/dbraw/zinc/65/84/42/1074658442.db2.gz PPGUYARGEOSDKA-UHFFFAOYSA-N 1 0 421.542 1.679 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000804218890 1074659344 /nfs/dbraw/zinc/65/93/44/1074659344.db2.gz KEJRKOPZKCREGN-KRWDZBQOSA-N 1 0 403.571 1.684 20 0 HDADRO CN1CC[NH+](CC2CCN(C(=O)Nc3cccn(CC(F)(F)F)c3=O)CC2)CC1 ZINC000674990401 1074663575 /nfs/dbraw/zinc/66/35/75/1074663575.db2.gz RGPQZOSNLSPAJN-UHFFFAOYSA-N 1 0 415.460 1.902 20 0 HDADRO CNc1nnc(CC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)s1 ZINC000543698954 1074665099 /nfs/dbraw/zinc/66/50/99/1074665099.db2.gz GPHMENZIJQAFOK-INIZCTEOSA-N 1 0 415.567 1.578 20 0 HDADRO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000429308953 1074668943 /nfs/dbraw/zinc/66/89/43/1074668943.db2.gz MDEWUKNKJZLXSM-ZIFCJYIRSA-N 1 0 418.538 1.606 20 0 HDADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000674997376 1074675754 /nfs/dbraw/zinc/67/57/54/1074675754.db2.gz NBKRKJZSGOWUQL-UXHICEINSA-N 1 0 419.522 1.752 20 0 HDADRO CC[NH+](CC)CCOCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000543610741 1074687952 /nfs/dbraw/zinc/68/79/52/1074687952.db2.gz QARZPPOMHSASSE-UHFFFAOYSA-N 1 0 411.568 1.949 20 0 HDADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CCC(OCCCO)CC1 ZINC000675010073 1074691664 /nfs/dbraw/zinc/69/16/64/1074691664.db2.gz VTTFZWLBNRSJSF-UHFFFAOYSA-N 1 0 403.523 1.653 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000477011435 1074694649 /nfs/dbraw/zinc/69/46/49/1074694649.db2.gz YLYUJMPQZCIIHW-AWEZNQCLSA-N 1 0 408.568 1.624 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000675088787 1074711722 /nfs/dbraw/zinc/71/17/22/1074711722.db2.gz WTVXDBMPOMSPNN-FQEVSTJZSA-N 1 0 421.513 1.811 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)CCN2C1=O ZINC000675090976 1074713334 /nfs/dbraw/zinc/71/33/34/1074713334.db2.gz WVNWRTCDGWVHIN-SFHVURJKSA-N 1 0 417.485 1.468 20 0 HDADRO Cc1ccccc1OCCN(C)C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000675091231 1074714659 /nfs/dbraw/zinc/71/46/59/1074714659.db2.gz WKBDLUBTMDXVLI-UHFFFAOYSA-N 1 0 405.539 1.838 20 0 HDADRO O=C(Nc1ccccc1CN1CCNC1=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000543614150 1074715503 /nfs/dbraw/zinc/71/55/03/1074715503.db2.gz WZQBGLHAOFTLMX-UHFFFAOYSA-N 1 0 401.511 1.788 20 0 HDADRO C[C@@H]([NH2+]C1(CNC(=O)N(CCO)CCN2CCOCC2)CCCC1)c1ccccc1 ZINC000485536622 1074719164 /nfs/dbraw/zinc/71/91/64/1074719164.db2.gz LOQXHKJTFJORQI-HXUWFJFHSA-N 1 0 418.582 1.986 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)CCN2C1=O ZINC000675105078 1074721016 /nfs/dbraw/zinc/72/10/16/1074721016.db2.gz XRQGAWVBGYKIAO-SFHVURJKSA-N 1 0 414.510 1.247 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)C[N@@H+]1Cc1ccccc1 ZINC000675107628 1074722659 /nfs/dbraw/zinc/72/26/59/1074722659.db2.gz XECTXBUFQOBFIS-XNGFIGEISA-N 1 0 413.522 1.669 20 0 HDADRO COC(=O)CCc1nnc(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)s1 ZINC000438334763 1074723088 /nfs/dbraw/zinc/72/30/88/1074723088.db2.gz ZTLPWIITJBQMRW-UHFFFAOYSA-N 1 0 403.508 1.864 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)CC2)C1 ZINC000675111849 1074724542 /nfs/dbraw/zinc/72/45/42/1074724542.db2.gz IHTKEGREFTZZPY-IAGOWNOFSA-N 1 0 406.962 1.735 20 0 HDADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000470619883 1074726462 /nfs/dbraw/zinc/72/64/62/1074726462.db2.gz PCRQJCJILQHMFA-XHSDSOJGSA-N 1 0 417.597 1.582 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)nn1-c1ccccc1 ZINC000540295139 1074727916 /nfs/dbraw/zinc/72/79/16/1074727916.db2.gz NQWSJROIGVWMBC-FQEVSTJZSA-N 1 0 424.549 1.746 20 0 HDADRO COC(=O)CCc1nnc(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000467469229 1074728534 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QLEJNKOVFPBAAU-KBPBESRZSA-N 1 0 403.449 1.912 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)nn1-c1cccc(F)c1 ZINC000554009240 1074743220 /nfs/dbraw/zinc/74/32/20/1074743220.db2.gz GGJKKVYKOQRFTE-SFHVURJKSA-N 1 0 417.485 1.611 20 0 HDADRO COC(=O)C[C@](C)(NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc(OC)c1 ZINC000584521665 1074743528 /nfs/dbraw/zinc/74/35/28/1074743528.db2.gz MMOQTRZYSMNGPG-FQEVSTJZSA-N 1 0 403.483 2.053 20 0 HDADRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675156513 1074747189 /nfs/dbraw/zinc/74/71/89/1074747189.db2.gz MOQCWCCTIYCAHG-UHFFFAOYSA-N 1 0 419.595 1.837 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000477037628 1074748025 /nfs/dbraw/zinc/74/80/25/1074748025.db2.gz XLGTUEDJLGLXIU-MRXNPFEDSA-N 1 0 406.502 1.347 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000675175658 1074748945 /nfs/dbraw/zinc/74/89/45/1074748945.db2.gz MZNRTGZDKQKPLT-FQEVSTJZSA-N 1 0 401.555 1.748 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000675184410 1074751449 /nfs/dbraw/zinc/75/14/49/1074751449.db2.gz PBVVXTIHSBITIX-LJQANCHMSA-N 1 0 401.555 1.899 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)nn1-c1ccc(C)cc1 ZINC000539477575 1074751713 /nfs/dbraw/zinc/75/17/13/1074751713.db2.gz JMHXEZTVNALHEN-LJQANCHMSA-N 1 0 413.522 1.637 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000675198462 1074755665 /nfs/dbraw/zinc/75/56/65/1074755665.db2.gz VSMOJHFJLFRPOA-XUVXKRRUSA-N 1 0 407.603 1.883 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000675198460 1074755749 /nfs/dbraw/zinc/75/57/49/1074755749.db2.gz VSMOJHFJLFRPOA-VAMGGRTRSA-N 1 0 407.603 1.883 20 0 HDADRO C[C@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000429321979 1074756086 /nfs/dbraw/zinc/75/60/86/1074756086.db2.gz GUIWZOQSWMOGDF-XEZPLFJOSA-N 1 0 403.504 1.362 20 0 HDADRO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(O[C@H]2CCOC2)c1 ZINC000675201346 1074756467 /nfs/dbraw/zinc/75/64/67/1074756467.db2.gz ARJWNLJCRGLQAT-XUVXKRRUSA-N 1 0 403.523 1.903 20 0 HDADRO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)ccc1Cl ZINC000429322860 1074763156 /nfs/dbraw/zinc/76/31/56/1074763156.db2.gz PKEDUFGZQQAQSH-AWEZNQCLSA-N 1 0 423.922 1.991 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000477066259 1074775592 /nfs/dbraw/zinc/77/55/92/1074775592.db2.gz MAPKBEKGDVYTFS-HNNXBMFYSA-N 1 0 408.930 1.357 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cc(Br)ccc1OC ZINC000477066325 1074775730 /nfs/dbraw/zinc/77/57/30/1074775730.db2.gz MCKUHVFNUPTLJS-GFCCVEGCSA-N 1 0 400.317 1.920 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000477067958 1074778997 /nfs/dbraw/zinc/77/89/97/1074778997.db2.gz PCBINRFMDIQAQA-MRXNPFEDSA-N 1 0 411.506 1.797 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000477079949 1074784501 /nfs/dbraw/zinc/78/45/01/1074784501.db2.gz FJNMMXYTOQKMIF-INIZCTEOSA-N 1 0 419.522 1.426 20 0 HDADRO O=C([C@@H]1CC(=O)N(Cc2ccccn2)C1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000675280397 1074786132 /nfs/dbraw/zinc/78/61/32/1074786132.db2.gz DTIWKTAFQFOZAL-UYAOXDASSA-N 1 0 400.523 1.534 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000477080468 1074786615 /nfs/dbraw/zinc/78/66/15/1074786615.db2.gz IEZKYGFVKFCAKS-MJGOQNOKSA-N 1 0 402.539 1.183 20 0 HDADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)N3CCOC[C@H]3C3CC3)cc2)CC1 ZINC000766102637 1074788603 /nfs/dbraw/zinc/78/86/03/1074788603.db2.gz GEQUFTCPCKGHIZ-FQEVSTJZSA-N 1 0 401.507 1.623 20 0 HDADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000675297509 1074791290 /nfs/dbraw/zinc/79/12/90/1074791290.db2.gz TYQPZRCEISHKDO-GOSISDBHSA-N 1 0 416.547 1.787 20 0 HDADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675297693 1074791333 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KTYGOIQRGVEIIE-UHFFFAOYSA-N 1 0 401.430 1.767 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)c(Br)s3)CC[C@H]21 ZINC000766106008 1074811880 /nfs/dbraw/zinc/81/18/80/1074811880.db2.gz APJLYLJFSQOOAO-NXEZZACHSA-N 1 0 422.370 1.714 20 0 HDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC[C@@H]21 ZINC000766108694 1074812992 /nfs/dbraw/zinc/81/29/92/1074812992.db2.gz KWERAVGLVFJLBA-NHYWBVRUSA-N 1 0 416.341 1.653 20 0 HDADRO O=C(NCc1cccnc1OCC(F)(F)F)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507164219 1074817591 /nfs/dbraw/zinc/81/75/91/1074817591.db2.gz XNPXBIAMRWKRFX-UHFFFAOYSA-N 1 0 420.351 1.858 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000766111588 1074817904 /nfs/dbraw/zinc/81/79/04/1074817904.db2.gz XTQDYRSUZNWYJL-SQNIBIBYSA-N 1 0 402.495 1.100 20 0 HDADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000670503102 1074819609 /nfs/dbraw/zinc/81/96/09/1074819609.db2.gz CJWTUBUTEHRECS-IZZBFERCSA-N 1 0 416.566 1.506 20 0 HDADRO COc1ccc(C)cc1CN1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000670504073 1074820700 /nfs/dbraw/zinc/82/07/00/1074820700.db2.gz SPYOFZPJDUUJLL-UHFFFAOYSA-N 1 0 418.582 1.883 20 0 HDADRO COCC(C)(C)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000429247490 1074821619 /nfs/dbraw/zinc/82/16/19/1074821619.db2.gz WEXXSYQOLLFINX-UHFFFAOYSA-N 1 0 423.579 1.365 20 0 HDADRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000429245812 1075090418 /nfs/dbraw/zinc/09/04/18/1075090418.db2.gz LQLOUQYYSBHNLE-UHFFFAOYSA-N 1 0 407.540 1.752 20 0 HDADRO Cc1cc(NC(=O)CN2CCN(C(=O)NCC3([NH+](C)C)CCCCCC3)CC2)no1 ZINC000611718164 1075109399 /nfs/dbraw/zinc/10/93/99/1075109399.db2.gz XYQYYTJTPLDNCS-UHFFFAOYSA-N 1 0 420.558 1.903 20 0 HDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCn2c3ccccc3[nH]c2=O)CC1 ZINC000429337430 1075110785 /nfs/dbraw/zinc/11/07/85/1075110785.db2.gz YKDOZAJGFYQCPP-HDICACEKSA-N 1 0 414.554 1.942 20 0 HDADRO CCCCc1nnc(NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000591479857 1075111137 /nfs/dbraw/zinc/11/11/37/1075111137.db2.gz XQPHSSWHTFDXKW-UHFFFAOYSA-N 1 0 418.571 2.395 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000670513593 1075116720 /nfs/dbraw/zinc/11/67/20/1075116720.db2.gz WFJXPMYUJLYYQQ-QGZVFWFLSA-N 1 0 415.456 1.837 20 0 HDADRO C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000485761899 1075127829 /nfs/dbraw/zinc/12/78/29/1075127829.db2.gz LWEUHMMVSMKUTQ-VQIMIIECSA-N 1 0 408.568 1.035 20 0 HDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1CC[NH+](C)CC1 ZINC000675403593 1075128901 /nfs/dbraw/zinc/12/89/01/1075128901.db2.gz PZTMLOCAMACMDS-YVEFUNNKSA-N 1 0 424.904 1.547 20 0 HDADRO COC1(c2ccccc2)CN(C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)C1 ZINC000509333604 1075132456 /nfs/dbraw/zinc/13/24/56/1075132456.db2.gz GFTWGNNMYDQQAA-UHFFFAOYSA-N 1 0 424.501 1.877 20 0 HDADRO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000675410758 1075132661 /nfs/dbraw/zinc/13/26/61/1075132661.db2.gz LREXWLUYDDDSQY-UONOGXRCSA-N 1 0 404.467 1.026 20 0 HDADRO Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)no1 ZINC000576305479 1075133676 /nfs/dbraw/zinc/13/36/76/1075133676.db2.gz ZFXHZZMWOXFTTL-NVXWUHKLSA-N 1 0 402.520 2.434 20 0 HDADRO COc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000766123996 1075135519 /nfs/dbraw/zinc/13/55/19/1075135519.db2.gz ZARUYMXRPIOUMD-NRFANRHFSA-N 1 0 409.486 1.828 20 0 HDADRO CC[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccccc1OCC(=O)NC ZINC000675420110 1075141080 /nfs/dbraw/zinc/14/10/80/1075141080.db2.gz HFLFMVSVTHHCQG-QGZVFWFLSA-N 1 0 406.527 1.361 20 0 HDADRO COc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000009917113 1075149992 /nfs/dbraw/zinc/14/99/92/1075149992.db2.gz QXQPBXPAJDDHNP-UHFFFAOYSA-N 1 0 405.520 1.937 20 0 HDADRO O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670527142 1075151495 /nfs/dbraw/zinc/15/14/95/1075151495.db2.gz GYQNTBOOZVRYCY-IBGZPJMESA-N 1 0 406.571 1.225 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675451502 1075152524 /nfs/dbraw/zinc/15/25/24/1075152524.db2.gz FTRMANOYDUVCRQ-CXAGYDPISA-N 1 0 424.904 1.691 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3cccc(F)c3)C[C@@H]2C)C1 ZINC000429253192 1075157190 /nfs/dbraw/zinc/15/71/90/1075157190.db2.gz APDYADNZYAFEHD-RXVVDRJESA-N 1 0 406.546 1.809 20 0 HDADRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766139674 1075159624 /nfs/dbraw/zinc/15/96/24/1075159624.db2.gz VLHIJDIXYMXWJE-KKBVYLPWSA-N 1 0 416.565 1.876 20 0 HDADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000429348580 1075159940 /nfs/dbraw/zinc/15/99/40/1075159940.db2.gz JPHYVQDYUQCZJD-GOSISDBHSA-N 1 0 411.428 2.546 20 0 HDADRO COc1ccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cc1C(N)=O ZINC000675469061 1075163604 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/nfs/dbraw/zinc/16/76/45/1075167645.db2.gz MPODPJZQVOGBMK-INIZCTEOSA-N 1 0 424.544 1.749 20 0 HDADRO CN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000675471559 1075167886 /nfs/dbraw/zinc/16/78/86/1075167886.db2.gz JAEJNLATZSTYCY-INIZCTEOSA-N 1 0 403.504 1.906 20 0 HDADRO COC[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000675477438 1075168233 /nfs/dbraw/zinc/16/82/33/1075168233.db2.gz WNEVHRAHDVVFOH-SFHVURJKSA-N 1 0 411.930 1.713 20 0 HDADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429352412 1075171426 /nfs/dbraw/zinc/17/14/26/1075171426.db2.gz WKKYKNYKJJAJBW-WDSOQIARSA-N 1 0 411.568 1.358 20 0 HDADRO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766146638 1075174351 /nfs/dbraw/zinc/17/43/51/1075174351.db2.gz ZFTDXMKLHJQNKR-ZDUSSCGKSA-N 1 0 420.553 1.795 20 0 HDADRO CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1 ZINC000675489714 1075174928 /nfs/dbraw/zinc/17/49/28/1075174928.db2.gz 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CCS(=O)(=O)N1CCC(C[NH2+]Cc2c(C)nn(CCC(=O)OC)c2C)CC1 ZINC000543634787 1075198652 /nfs/dbraw/zinc/19/86/52/1075198652.db2.gz FNGJLKSVLSPHDX-UHFFFAOYSA-N 1 0 400.545 1.214 20 0 HDADRO COCC[N@H+](C)CCOc1cccc(CNS(=O)(=O)c2cccc3c2OCO3)c1 ZINC000509349342 1075200282 /nfs/dbraw/zinc/20/02/82/1075200282.db2.gz COWYQHWHBYXFIF-UHFFFAOYSA-N 1 0 422.503 1.851 20 0 HDADRO COCCn1ccc(NC(=O)C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000478968847 1075202798 /nfs/dbraw/zinc/20/27/98/1075202798.db2.gz WPFWMIYYARDYJN-KRWDZBQOSA-N 1 0 405.543 1.971 20 0 HDADRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)o1 ZINC000588657472 1075203027 /nfs/dbraw/zinc/20/30/27/1075203027.db2.gz JFQJRWFBHCXJBX-UHFFFAOYSA-N 1 0 402.499 2.368 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000675559854 1075203409 /nfs/dbraw/zinc/20/34/09/1075203409.db2.gz KQEAXBKHSWXRNJ-SFHVURJKSA-N 1 0 407.559 1.019 20 0 HDADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)CCN1CCCS1(=O)=O ZINC000675545563 1075205955 /nfs/dbraw/zinc/20/59/55/1075205955.db2.gz DUTHWJPTNHCSJB-ROUUACIJSA-N 1 0 422.595 1.820 20 0 HDADRO COc1cc(C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc(OC)c1OCC(N)=O ZINC000675553241 1075207399 /nfs/dbraw/zinc/20/73/99/1075207399.db2.gz GCAVPRMSZVOOKV-INIZCTEOSA-N 1 0 405.495 1.449 20 0 HDADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675585399 1075213649 /nfs/dbraw/zinc/21/36/49/1075213649.db2.gz IKMUVEGEUKIAGF-HXUWFJFHSA-N 1 0 411.506 1.913 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000466688214 1075221536 /nfs/dbraw/zinc/22/15/36/1075221536.db2.gz FLRXQDYBMMJCIT-QAPCUYQASA-N 1 0 410.474 1.268 20 0 HDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC1(CCO)CCOCC1 ZINC000675607419 1075223269 /nfs/dbraw/zinc/22/32/69/1075223269.db2.gz CWKCITMLAYFDIQ-UHFFFAOYSA-N 1 0 406.527 1.890 20 0 HDADRO CN(C)C(=O)c1cc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1Cl ZINC000675607911 1075224841 /nfs/dbraw/zinc/22/48/41/1075224841.db2.gz LXUBQYOYJLMDKX-UHFFFAOYSA-N 1 0 406.874 1.377 20 0 HDADRO COC(=O)CCNC(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000429362124 1075224876 /nfs/dbraw/zinc/22/48/76/1075224876.db2.gz ALJCOLLBLIJJDZ-FXAWDEMLSA-N 1 0 416.449 1.846 20 0 HDADRO COC(=O)CCNC(=O)C[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000429362130 1075225102 /nfs/dbraw/zinc/22/51/02/1075225102.db2.gz ALJCOLLBLIJJDZ-YLJYHZDGSA-N 1 0 416.449 1.846 20 0 HDADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 ZINC000675587918 1075226724 /nfs/dbraw/zinc/22/67/24/1075226724.db2.gz LZZKVSIGJPLTIO-IBGZPJMESA-N 1 0 415.494 1.257 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000578385475 1075226813 /nfs/dbraw/zinc/22/68/13/1075226813.db2.gz LVBSDVLSVJEODV-OAHLLOKOSA-N 1 0 415.460 2.009 20 0 HDADRO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)ccc1F ZINC000675594488 1075231604 /nfs/dbraw/zinc/23/16/04/1075231604.db2.gz YHWKCJXFPGRKLB-KRWDZBQOSA-N 1 0 403.458 1.518 20 0 HDADRO CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2nn(-c3ccccc3)cc2C)CC1 ZINC000592946481 1075231705 /nfs/dbraw/zinc/23/17/05/1075231705.db2.gz UUWGWXWOYCNYHI-UHFFFAOYSA-N 1 0 412.538 1.653 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccn(CCOC)n3)cc2)CC1 ZINC000513924492 1075232444 /nfs/dbraw/zinc/23/24/44/1075232444.db2.gz UDWJISHIBRXBMO-UHFFFAOYSA-N 1 0 400.527 1.989 20 0 HDADRO COCCn1ncc2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)cc21 ZINC000675598802 1075236862 /nfs/dbraw/zinc/23/68/62/1075236862.db2.gz SNKDZBBBPNIZGE-MRXNPFEDSA-N 1 0 401.511 1.715 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000466692778 1075238891 /nfs/dbraw/zinc/23/88/91/1075238891.db2.gz TVPIDJPRAYAXRC-QAPCUYQASA-N 1 0 410.474 1.268 20 0 HDADRO COC[C@H](C)n1ccc(NC(=O)C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000426716285 1075245405 /nfs/dbraw/zinc/24/54/05/1075245405.db2.gz LQPRNDSGPRVJRP-KRWDZBQOSA-N 1 0 413.522 2.118 20 0 HDADRO COC[C@H](C)n1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000445160417 1075250882 /nfs/dbraw/zinc/25/08/82/1075250882.db2.gz PNUONUBFZDHJIE-LPHOPBHVSA-N 1 0 401.511 2.369 20 0 HDADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)N[C@@H]3CCC(F)(F)C3)cc2)CC1 ZINC000675702983 1075257609 /nfs/dbraw/zinc/25/76/09/1075257609.db2.gz AXVGUAIAFXAWQA-MRXNPFEDSA-N 1 0 410.465 1.555 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CC(OCCCOc3ccccc3)C2)CC1 ZINC000675711608 1075259601 /nfs/dbraw/zinc/25/96/01/1075259601.db2.gz REXDCUBHGDEBRO-UHFFFAOYSA-N 1 0 404.555 1.892 20 0 HDADRO CCOC(=O)CCC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001129045191 1075262826 /nfs/dbraw/zinc/26/28/26/1075262826.db2.gz LWZQPDDBPFSZBK-UHFFFAOYSA-N 1 0 403.523 1.817 20 0 HDADRO O=C(c1ccc(NCCCCC[NH+]2CCCCC2)nc1)N1CCS(=O)(=O)CC1 ZINC000468716372 1075263892 /nfs/dbraw/zinc/26/38/92/1075263892.db2.gz IABUCNUQPDRMIY-UHFFFAOYSA-N 1 0 408.568 2.020 20 0 HDADRO Cc1ccc2ncccc2c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000675760214 1075265811 /nfs/dbraw/zinc/26/58/11/1075265811.db2.gz OYTAKILRQVGBGC-SFHVURJKSA-N 1 0 402.520 1.470 20 0 HDADRO CCOC(=O)Cc1nnc(NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000501221654 1075268725 /nfs/dbraw/zinc/26/87/25/1075268725.db2.gz LSCPSHOWEHYHJM-UHFFFAOYSA-N 1 0 424.571 1.666 20 0 HDADRO O=C(CCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCN(c2ccccc2)CC1 ZINC000675786129 1075271478 /nfs/dbraw/zinc/27/14/78/1075271478.db2.gz MDMILESPBKZSRN-LEWJYISDSA-N 1 0 414.550 1.173 20 0 HDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(Br)c1 ZINC000675817828 1075276695 /nfs/dbraw/zinc/27/66/95/1075276695.db2.gz ZUNBLLSRPAZFQW-LBPRGKRZSA-N 1 0 408.337 1.816 20 0 HDADRO CS(=O)(=O)N1CCN(CC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000675819556 1075276920 /nfs/dbraw/zinc/27/69/20/1075276920.db2.gz PAGXYTQSWAQDNB-UHFFFAOYSA-N 1 0 415.003 1.471 20 0 HDADRO O=S(=O)(NCC1CC1)c1ccc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)nc1 ZINC000534061436 1075278382 /nfs/dbraw/zinc/27/83/82/1075278382.db2.gz HEXKJGOXYFNBPJ-RTBURBONSA-N 1 0 416.547 1.817 20 0 HDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C[N@@H+]1Cc1ccccc1 ZINC000466701992 1075281828 /nfs/dbraw/zinc/28/18/28/1075281828.db2.gz ANPXNEZZXUGXKS-YJBOKZPZSA-N 1 0 422.485 1.760 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000503498953 1075284235 /nfs/dbraw/zinc/28/42/35/1075284235.db2.gz PNPVULJGZFECNK-QZTJIDSGSA-N 1 0 411.506 1.981 20 0 HDADRO Cn1c(=O)c2cc(C(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)cnc2n(C)c1=O ZINC001129097474 1075286498 /nfs/dbraw/zinc/28/64/98/1075286498.db2.gz CZABNDQTSHNDDN-UHFFFAOYSA-N 1 0 421.501 1.417 20 0 HDADRO Cc1ccc(Cc2nnc(NC(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)s2)cc1 ZINC000466133188 1075286900 /nfs/dbraw/zinc/28/69/00/1075286900.db2.gz DSGNTCPAEHQENG-INIZCTEOSA-N 1 0 402.568 2.442 20 0 HDADRO COCCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)c1 ZINC000675890426 1075287060 /nfs/dbraw/zinc/28/70/60/1075287060.db2.gz MGQDPQSGCNSUGK-OAHLLOKOSA-N 1 0 416.507 1.438 20 0 HDADRO 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CCn1c(CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)nc2ccccc21 ZINC000731496352 1075368211 /nfs/dbraw/zinc/36/82/11/1075368211.db2.gz AOKXKAGNFWESJA-UHFFFAOYSA-N 1 0 400.527 1.798 20 0 HDADRO O=C(Cn1nc(-c2ccccc2)oc1=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000676086837 1075369217 /nfs/dbraw/zinc/36/92/17/1075369217.db2.gz BFUCLISGPWWGIY-MSOLQXFVSA-N 1 0 400.479 1.387 20 0 HDADRO CN(C(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000804086715 1075369960 /nfs/dbraw/zinc/36/99/60/1075369960.db2.gz CDPWXZZXTFEMOS-VYDXJSESSA-N 1 0 408.543 1.634 20 0 HDADRO CCOc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c(C(F)(F)F)c1 ZINC000572741991 1075370430 /nfs/dbraw/zinc/37/04/30/1075370430.db2.gz NJUUFTRAXMAYNN-UHFFFAOYSA-N 1 0 413.400 2.439 20 0 HDADRO NS(=O)(=O)c1ccc(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000676088352 1075371409 /nfs/dbraw/zinc/37/14/09/1075371409.db2.gz ZAVPZWKBXPKEQE-RBUKOAKNSA-N 1 0 409.552 1.151 20 0 HDADRO 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/nfs/dbraw/zinc/38/90/65/1075389065.db2.gz NRPCYAMYRVCFLT-SJORKVTESA-N 1 0 410.559 1.883 20 0 HDADRO CC[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)[C@H]1CCCO1 ZINC000544457815 1075391161 /nfs/dbraw/zinc/39/11/61/1075391161.db2.gz GYCKMSTVLWGJBY-WOJBJXKFSA-N 1 0 416.566 1.933 20 0 HDADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000731575781 1075392417 /nfs/dbraw/zinc/39/24/17/1075392417.db2.gz XDIRPTGZSVYSCG-UHFFFAOYSA-N 1 0 408.437 1.771 20 0 HDADRO Cc1cc(F)cc2c(O)c(C(=O)N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)cnc12 ZINC000676133873 1075392394 /nfs/dbraw/zinc/39/23/94/1075392394.db2.gz FHEXMACRXXMPDC-QGZVFWFLSA-N 1 0 400.454 1.530 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000676123935 1075395056 /nfs/dbraw/zinc/39/50/56/1075395056.db2.gz DJNCWDQSVQSJPQ-FPOVZHCZSA-N 1 0 410.518 1.980 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)n2)cc1 ZINC000438721652 1075396107 /nfs/dbraw/zinc/39/61/07/1075396107.db2.gz HETSOSFIPMYGML-GOSISDBHSA-N 1 0 411.506 1.965 20 0 HDADRO NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000543658724 1075397196 /nfs/dbraw/zinc/39/71/96/1075397196.db2.gz PBLHRSGMWLYSGP-QUCCMNQESA-N 1 0 417.531 1.330 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)n2)cc1 ZINC000507649915 1075398579 /nfs/dbraw/zinc/39/85/79/1075398579.db2.gz UYQZUPOJCYVKAF-WMZOPIPTSA-N 1 0 411.506 1.964 20 0 HDADRO C[NH+]1CCN(c2ccc(NC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)nc2)CC1 ZINC000731610799 1075400027 /nfs/dbraw/zinc/40/00/27/1075400027.db2.gz XZZCSCYWGKHEEQ-UHFFFAOYSA-N 1 0 408.437 1.771 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)N3CC[N@H+](CC(C)(C)O)C[C@H]3C)n2)cc1 ZINC000444909229 1075408585 /nfs/dbraw/zinc/40/85/85/1075408585.db2.gz YHBWMJIXJASJPD-MRXNPFEDSA-N 1 0 401.511 2.249 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000437481688 1075420327 /nfs/dbraw/zinc/42/03/27/1075420327.db2.gz ZDINYQMPSYWBIZ-MRXNPFEDSA-N 1 0 414.485 2.130 20 0 HDADRO COc1ccc(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c2ncccc12 ZINC000555875712 1075433805 /nfs/dbraw/zinc/43/38/05/1075433805.db2.gz QNHSODVFBSOJMP-UHFFFAOYSA-N 1 0 408.462 2.284 20 0 HDADRO CC[C@@H](C)n1nc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000539479789 1075440188 /nfs/dbraw/zinc/44/01/88/1075440188.db2.gz QWIIBRZIYZFAAG-SJLPKXTDSA-N 1 0 404.559 1.730 20 0 HDADRO COC1CC[NH+](C(C)(C)CNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000731637990 1075441176 /nfs/dbraw/zinc/44/11/76/1075441176.db2.gz FJSNCUKVJNNHTK-UHFFFAOYSA-N 1 0 402.470 1.991 20 0 HDADRO CC[C@@H](C)n1nc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C ZINC000539478201 1075442811 /nfs/dbraw/zinc/44/28/11/1075442811.db2.gz DCFUVADQDXCUOF-ZHRRBRCNSA-N 1 0 413.522 1.854 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000731686515 1075445789 /nfs/dbraw/zinc/44/57/89/1075445789.db2.gz BQYQYXPOGKKFNM-GOSISDBHSA-N 1 0 414.547 1.237 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000731686324 1075447134 /nfs/dbraw/zinc/44/71/34/1075447134.db2.gz ZBMAVLODGAAFQK-KRWDZBQOSA-N 1 0 412.556 1.461 20 0 HDADRO NC(=NOCC(=O)NC(C1CC1)C1CC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000731664274 1075453078 /nfs/dbraw/zinc/45/30/78/1075453078.db2.gz HHCLMCZYBMZOTF-UHFFFAOYSA-N 1 0 400.523 1.795 20 0 HDADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)cc1 ZINC000560229890 1075453801 /nfs/dbraw/zinc/45/38/01/1075453801.db2.gz IRUQMDHYBLIWTM-CQSZACIVSA-N 1 0 413.400 1.812 20 0 HDADRO COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000427127800 1075458015 /nfs/dbraw/zinc/45/80/15/1075458015.db2.gz HPCMMVWGUMSADP-LJQANCHMSA-N 1 0 411.506 2.461 20 0 HDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000676263494 1075462745 /nfs/dbraw/zinc/46/27/45/1075462745.db2.gz DDNHVXVELUNYSA-UZLBHIALSA-N 1 0 405.543 1.678 20 0 HDADRO CS(=O)(=O)CCN1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000731681343 1075463215 /nfs/dbraw/zinc/46/32/15/1075463215.db2.gz AFNGHASUZUCJNR-UHFFFAOYSA-N 1 0 414.616 1.449 20 0 HDADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000676247348 1075464852 /nfs/dbraw/zinc/46/48/52/1075464852.db2.gz HWAJVZFSFRANEV-IRXDYDNUSA-N 1 0 400.531 1.370 20 0 HDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000676247346 1075464870 /nfs/dbraw/zinc/46/48/70/1075464870.db2.gz HWAJVZFSFRANEV-DLBZAZTESA-N 1 0 400.531 1.370 20 0 HDADRO CC[NH+](CC)Cc1cccc(CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1 ZINC000731682945 1075466605 /nfs/dbraw/zinc/46/66/05/1075466605.db2.gz SYZDRIFEBWMOSV-UHFFFAOYSA-N 1 0 424.611 1.837 20 0 HDADRO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000731683754 1075467904 /nfs/dbraw/zinc/46/79/04/1075467904.db2.gz GQYFJFOGVSFDGA-JKSUJKDBSA-N 1 0 411.547 1.225 20 0 HDADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000731683873 1075468402 /nfs/dbraw/zinc/46/84/02/1075468402.db2.gz KVRMOHOHSQDQBX-MRXNPFEDSA-N 1 0 402.605 1.305 20 0 HDADRO CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000676288440 1075472950 /nfs/dbraw/zinc/47/29/50/1075472950.db2.gz DDZMKTJUPLUSCE-UHFFFAOYSA-N 1 0 415.582 1.834 20 0 HDADRO COc1cccc(Cc2nnc(NC(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)s2)c1 ZINC000444814975 1075475752 /nfs/dbraw/zinc/47/57/52/1075475752.db2.gz DRCNFQRFCHXUNK-AWEZNQCLSA-N 1 0 419.551 2.446 20 0 HDADRO NC(=O)c1c[nH+]ccc1N1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000547277141 1075488194 /nfs/dbraw/zinc/48/81/94/1075488194.db2.gz UKXKTJNTSNNQIA-UHFFFAOYSA-N 1 0 411.487 1.630 20 0 HDADRO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)Cc1ccccc1 ZINC000676289009 1075492343 /nfs/dbraw/zinc/49/23/43/1075492343.db2.gz ISYJNNBEDIOFLZ-HXUWFJFHSA-N 1 0 403.571 1.355 20 0 HDADRO Cc1nc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)sc1S(N)(=O)=O ZINC000583393712 1075494308 /nfs/dbraw/zinc/49/43/08/1075494308.db2.gz SOWVCFHHJFFWAT-ZDUSSCGKSA-N 1 0 410.565 2.411 20 0 HDADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000676290243 1075494887 /nfs/dbraw/zinc/49/48/87/1075494887.db2.gz WQZKTWPNMNFKKY-UHFFFAOYSA-N 1 0 419.570 1.323 20 0 HDADRO CN(C)C(=O)CN1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000676289492 1075494894 /nfs/dbraw/zinc/49/48/94/1075494894.db2.gz NRQAIROWZOYOSQ-IBGZPJMESA-N 1 0 421.973 1.892 20 0 HDADRO CC1CC[NH+](Cc2cccc(CNC(=O)N3CCN(CC(=O)N(C)C)CC3)c2)CC1 ZINC000676293354 1075497302 /nfs/dbraw/zinc/49/73/02/1075497302.db2.gz JLBRILWRIVHQRK-UHFFFAOYSA-N 1 0 415.582 1.834 20 0 HDADRO Cc1n[nH]cc1-c1nnc(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)s1 ZINC000444993629 1075504811 /nfs/dbraw/zinc/50/48/11/1075504811.db2.gz AEDIHYCAMMCDML-HUUCEWRRSA-N 1 0 413.507 1.994 20 0 HDADRO Cn1cc(N2CCN(C(=O)NC[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)CC2=O)cn1 ZINC000429423346 1075511803 /nfs/dbraw/zinc/51/18/03/1075511803.db2.gz AKZPREAONJPXCM-HNAYVOBHSA-N 1 0 416.551 1.923 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000731756303 1075511915 /nfs/dbraw/zinc/51/19/15/1075511915.db2.gz HQQUZGGJSKWRHJ-UHFFFAOYSA-N 1 0 424.586 1.798 20 0 HDADRO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000676338886 1075512816 /nfs/dbraw/zinc/51/28/16/1075512816.db2.gz RSKVUSBQYNBRDM-DOMZBBRYSA-N 1 0 419.469 1.973 20 0 HDADRO Cc1ccc(S(=O)(=O)NCCC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000676342219 1075514845 /nfs/dbraw/zinc/51/48/45/1075514845.db2.gz DZEZXQIEGUNKLY-GOSISDBHSA-N 1 0 409.552 1.341 20 0 HDADRO CCOc1ccccc1C(=O)NCCCC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676341457 1075515671 /nfs/dbraw/zinc/51/56/71/1075515671.db2.gz QPULMFHBXJWAQG-SFHVURJKSA-N 1 0 403.523 1.965 20 0 HDADRO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000676343943 1075517131 /nfs/dbraw/zinc/51/71/31/1075517131.db2.gz UAOWJBQJKDNOHV-UHFFFAOYSA-N 1 0 402.499 1.120 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000676343481 1075517437 /nfs/dbraw/zinc/51/74/37/1075517437.db2.gz QYQXOQKUAAQYNV-MSOLQXFVSA-N 1 0 415.490 1.389 20 0 HDADRO COc1cc[nH+]c(N2CCN(C(=O)CS[C@@H](C)C(=O)Nc3cc(C)on3)CC2)c1 ZINC000520543688 1075517908 /nfs/dbraw/zinc/51/79/08/1075517908.db2.gz KZWMBFSXVNFIFG-AWEZNQCLSA-N 1 0 419.507 1.796 20 0 HDADRO Cc1sc2ncn(CCC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)c(=O)c2c1C ZINC000676345718 1075519461 /nfs/dbraw/zinc/51/94/61/1075519461.db2.gz SJAAAYIQNOIWJM-MRXNPFEDSA-N 1 0 404.536 1.834 20 0 HDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CCO[C@H](CCc2ccccc2)C1 ZINC000543672286 1075524814 /nfs/dbraw/zinc/52/48/14/1075524814.db2.gz FWVOIJAVFILRFB-JOCHJYFZSA-N 1 0 418.582 1.420 20 0 HDADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000731809231 1075527350 /nfs/dbraw/zinc/52/73/50/1075527350.db2.gz RFOFCYSLAGYNDP-UONOGXRCSA-N 1 0 406.533 1.655 20 0 HDADRO CC(C)(O)[C@@H]1CCCN1C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543671940 1075527711 /nfs/dbraw/zinc/52/77/11/1075527711.db2.gz DWVAMOLFWIRALN-OALUTQOASA-N 1 0 402.539 1.829 20 0 HDADRO CCN1C(=O)N=NC1C1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000676359972 1075532547 /nfs/dbraw/zinc/53/25/47/1075532547.db2.gz NIPJILBMPWKGJR-INIZCTEOSA-N 1 0 413.526 1.315 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000676386600 1075534461 /nfs/dbraw/zinc/53/44/61/1075534461.db2.gz LEGCTFYXWQNOSE-JKSUJKDBSA-N 1 0 400.479 1.177 20 0 HDADRO CC[C@@H](C)Oc1cc(CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)ccn1 ZINC000676390998 1075535792 /nfs/dbraw/zinc/53/57/92/1075535792.db2.gz NOOHPULYBKSSOT-QGZVFWFLSA-N 1 0 418.538 1.446 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000676372740 1075536750 /nfs/dbraw/zinc/53/67/50/1075536750.db2.gz VFAHAJQRQICYNA-UHFFFAOYSA-N 1 0 401.555 1.997 20 0 HDADRO CNS(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000676376781 1075537449 /nfs/dbraw/zinc/53/74/49/1075537449.db2.gz GDFWJDUJRNEHND-UHFFFAOYSA-N 1 0 423.583 1.617 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000731843289 1075547689 /nfs/dbraw/zinc/54/76/89/1075547689.db2.gz OJGNQSXKKCAZQM-JOCHJYFZSA-N 1 0 415.582 1.564 20 0 HDADRO CC[NH+]1CCN(c2ccc(CN3C(=O)N[C@@H](CCOC(C)(C)C)C3=O)cn2)CC1 ZINC000804144679 1075549029 /nfs/dbraw/zinc/54/90/29/1075549029.db2.gz JHSZIIIISJKVRI-KRWDZBQOSA-N 1 0 403.527 1.849 20 0 HDADRO C[C@H](CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)[NH+]1CCC(C)CC1 ZINC000804148826 1075550763 /nfs/dbraw/zinc/55/07/63/1075550763.db2.gz DMKYADAEVDGJHB-QRWLVFNGSA-N 1 0 407.536 1.978 20 0 HDADRO CCn1c2ccc(NC(=O)CCC(=O)NCC(C)(C)C[NH+](C)C)nc2n(CC)c1=O ZINC000535709280 1075557306 /nfs/dbraw/zinc/55/73/06/1075557306.db2.gz GPFUQVYJZCDKJX-UHFFFAOYSA-N 1 0 418.542 1.661 20 0 HDADRO COCCC[NH+]1CCC(N2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 ZINC000804160562 1075561278 /nfs/dbraw/zinc/56/12/78/1075561278.db2.gz WQDFZQVXCGTSTP-HXUWFJFHSA-N 1 0 423.535 1.358 20 0 HDADRO COc1cc(C)c(CN2CCN(C(=O)CN3C[C@@H](C)[N@H+](C)C[C@@H]3C)CC2)cc1OC ZINC000509416094 1075561628 /nfs/dbraw/zinc/56/16/28/1075561628.db2.gz LXFRKJFYATWPBM-MOPGFXCFSA-N 1 0 418.582 1.681 20 0 HDADRO CC[C@H](O)CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000676465573 1075561702 /nfs/dbraw/zinc/56/17/02/1075561702.db2.gz LHRPDFCHPAAFAP-SFTDATJTSA-N 1 0 404.555 1.376 20 0 HDADRO COc1cc(C)c(CN2CCN(C(=O)CN3C[C@H](C)[N@H+](C)C[C@H]3C)CC2)cc1OC ZINC000509416098 1075561865 /nfs/dbraw/zinc/56/18/65/1075561865.db2.gz LXFRKJFYATWPBM-RBUKOAKNSA-N 1 0 418.582 1.681 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@@H](N2CCCC[C@H]2CN2CCOCC2)C1=O ZINC000466731409 1075564232 /nfs/dbraw/zinc/56/42/32/1075564232.db2.gz NKUYUQPXDFYKBP-DOTOQJQBSA-N 1 0 407.536 1.827 20 0 HDADRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2ccnc2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000676478727 1075565917 /nfs/dbraw/zinc/56/59/17/1075565917.db2.gz OTNLCCYQFYXRPV-YQQAZPJKSA-N 1 0 405.524 1.433 20 0 HDADRO C[C@@H](NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1nc2ccccc2s1 ZINC000804163700 1075567672 /nfs/dbraw/zinc/56/76/72/1075567672.db2.gz CXRCHMDMEYBKRM-CQSZACIVSA-N 1 0 403.552 1.616 20 0 HDADRO CCn1nc(NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1C1CC1 ZINC000542601060 1075568054 /nfs/dbraw/zinc/56/80/54/1075568054.db2.gz PJCARTJATYNMQA-UHFFFAOYSA-N 1 0 416.570 1.595 20 0 HDADRO CCn1nc(NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1C1CC1 ZINC000541969253 1075571250 /nfs/dbraw/zinc/57/12/50/1075571250.db2.gz LJGPPHDATIVYIE-SFHVURJKSA-N 1 0 411.506 1.602 20 0 HDADRO CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCC(CC[NH+](C)C)CC3)ccc2O1 ZINC000543676544 1075575229 /nfs/dbraw/zinc/57/52/29/1075575229.db2.gz QRIVYWAWANTQFP-LJQANCHMSA-N 1 0 410.536 1.906 20 0 HDADRO Cc1ccc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cc1S(N)(=O)=O ZINC000676538382 1075579608 /nfs/dbraw/zinc/57/96/08/1075579608.db2.gz RNLCQDBRJDURJR-INIZCTEOSA-N 1 0 403.508 1.430 20 0 HDADRO CCc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001546537363 1075581818 /nfs/dbraw/zinc/58/18/18/1075581818.db2.gz QJWULQMRCIHYEH-CVEARBPZSA-N 1 0 418.508 1.760 20 0 HDADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000676529412 1075582177 /nfs/dbraw/zinc/58/21/77/1075582177.db2.gz MWXKPLDSQYTGBX-MRXNPFEDSA-N 1 0 413.540 1.398 20 0 HDADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)Cn3nc(-c4ccccc4)oc3=O)nc2)C1 ZINC000676530807 1075583159 /nfs/dbraw/zinc/58/31/59/1075583159.db2.gz FPSDULXERURMJQ-QGZVFWFLSA-N 1 0 408.462 1.677 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccn2)C1 ZINC000676551120 1075584025 /nfs/dbraw/zinc/58/40/25/1075584025.db2.gz JYLHOXMCDGCNCF-FQEVSTJZSA-N 1 0 418.501 1.998 20 0 HDADRO CCn1c(=O)c2ccccc2n(CC(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)c1=O ZINC000732005715 1075584965 /nfs/dbraw/zinc/58/49/65/1075584965.db2.gz KITNIRGTSCHHIT-UHFFFAOYSA-N 1 0 424.501 1.787 20 0 HDADRO C[C@@H](C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000732006944 1075584985 /nfs/dbraw/zinc/58/49/85/1075584985.db2.gz VJAKPCVGCSQCEH-HNNXBMFYSA-N 1 0 402.495 1.843 20 0 HDADRO Cn1ccnc1C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000676552211 1075585168 /nfs/dbraw/zinc/58/51/68/1075585168.db2.gz YHZRCZYLQJHWGI-KRWDZBQOSA-N 1 0 409.494 1.217 20 0 HDADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)CC1 ZINC000676552681 1075586132 /nfs/dbraw/zinc/58/61/32/1075586132.db2.gz BRAKTSCHDMFHSS-UHFFFAOYSA-N 1 0 414.510 1.224 20 0 HDADRO CNC(=O)c1cncc(/C=C/C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000731986445 1075586455 /nfs/dbraw/zinc/58/64/55/1075586455.db2.gz PTYZQNSJCDGRJS-MHNQQFQPSA-N 1 0 407.518 1.559 20 0 HDADRO CNC(=O)c1cncc(/C=C/C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000731986740 1075586548 /nfs/dbraw/zinc/58/65/48/1075586548.db2.gz PPSTZWGSRMQLDI-BQYQJAHWSA-N 1 0 409.490 1.062 20 0 HDADRO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000676546104 1075591157 /nfs/dbraw/zinc/59/11/57/1075591157.db2.gz LHGDRMYWWHKBBK-UHFFFAOYSA-N 1 0 418.501 1.999 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)n1 ZINC000676550242 1075596993 /nfs/dbraw/zinc/59/69/93/1075596993.db2.gz 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COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000676615913 1075617272 /nfs/dbraw/zinc/61/72/72/1075617272.db2.gz ZDNJYMUSNHTCHE-UHFFFAOYSA-N 1 0 409.437 1.987 20 0 HDADRO C[C@H](CNC(=O)C(=O)Nc1ccc2c(cnn2C(F)F)c1)C[NH+]1CCN(C)CC1 ZINC000676618333 1075617945 /nfs/dbraw/zinc/61/79/45/1075617945.db2.gz SDLIPWDDLXGVMB-CYBMUJFWSA-N 1 0 408.453 1.370 20 0 HDADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)c1 ZINC000539199235 1075619361 /nfs/dbraw/zinc/61/93/61/1075619361.db2.gz STVGFUSYAPORIJ-UHFFFAOYSA-N 1 0 417.539 1.249 20 0 HDADRO CCOC(=O)c1ccc(CNC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)cc1 ZINC000509428956 1075627065 /nfs/dbraw/zinc/62/70/65/1075627065.db2.gz GJZOJQAUZMELCL-UHFFFAOYSA-N 1 0 404.511 1.559 20 0 HDADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000429453241 1075628779 /nfs/dbraw/zinc/62/87/79/1075628779.db2.gz YTNSVOUPUDQCDS-QGZVFWFLSA-N 1 0 419.957 1.915 20 0 HDADRO CN(C[C@@H]1CCCN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)C1)S(C)(=O)=O 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CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1=O ZINC000732190421 1075655446 /nfs/dbraw/zinc/65/54/46/1075655446.db2.gz XNEGBGLARWCNCC-INIZCTEOSA-N 1 0 421.567 1.199 20 0 HDADRO CC(C)CN(C(=O)CON=C(N)C[N@@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000732195144 1075657042 /nfs/dbraw/zinc/65/70/42/1075657042.db2.gz JJMDVAZSNSTBHA-CVEARBPZSA-N 1 0 402.561 1.031 20 0 HDADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2CCCOC[C@H]2C)CC1 ZINC000676711778 1075657794 /nfs/dbraw/zinc/65/77/94/1075657794.db2.gz IETKKEVDKDGOIN-LJQANCHMSA-N 1 0 402.539 1.497 20 0 HDADRO CNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1 ZINC000732206803 1075664059 /nfs/dbraw/zinc/66/40/59/1075664059.db2.gz DFXQFTXCQBXMPH-KRWDZBQOSA-N 1 0 404.486 1.135 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@H](N4CCCC4=O)C3)cc2)CC1 ZINC000732212160 1075668826 /nfs/dbraw/zinc/66/88/26/1075668826.db2.gz OLVNVBDLUDTTLX-NRFANRHFSA-N 1 0 413.566 1.854 20 0 HDADRO CC(=O)c1ccc(N2CCN(C(=O)CN(C)[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c(F)c1 ZINC000732213879 1075669332 /nfs/dbraw/zinc/66/93/32/1075669332.db2.gz IXYMSIMGRQAIHP-LJQANCHMSA-N 1 0 402.514 1.845 20 0 HDADRO Cc1n[nH]cc1S(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000732218703 1075672509 /nfs/dbraw/zinc/67/25/09/1075672509.db2.gz LBBTYERWIJHKKM-KRWDZBQOSA-N 1 0 404.540 1.336 20 0 HDADRO COc1ccc(OC)c([C@@H](O)C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000732204394 1075676179 /nfs/dbraw/zinc/67/61/79/1075676179.db2.gz VDUOSQKZZXFZHN-FQEVSTJZSA-N 1 0 405.539 1.613 20 0 HDADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001545675296 1075677884 /nfs/dbraw/zinc/67/78/84/1075677884.db2.gz VOFGEYGWYVASDK-SCTDSRPQSA-N 1 0 411.554 1.709 20 0 HDADRO Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cc2F)n1 ZINC000429464067 1075680841 /nfs/dbraw/zinc/68/08/41/1075680841.db2.gz VGIIBCUQUCCNAU-HNNXBMFYSA-N 1 0 416.501 1.319 20 0 HDADRO CCc1ccccc1O[C@@H](C)C(=O)N1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000537872217 1075687090 /nfs/dbraw/zinc/68/70/90/1075687090.db2.gz CIZNCONLLBYRLD-INIZCTEOSA-N 1 0 421.505 1.923 20 0 HDADRO CS[C@H]1CN(C(=O)Nc2ccncc2I)C[C@@H]1[NH+](C)C ZINC000546839301 1075688788 /nfs/dbraw/zinc/68/87/88/1075688788.db2.gz MKELUAIZELJNAJ-RYUDHWBXSA-N 1 0 406.293 1.617 20 0 HDADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 ZINC000553512250 1075693065 /nfs/dbraw/zinc/69/30/65/1075693065.db2.gz AMMMOFUYTRXKBJ-MRXNPFEDSA-N 1 0 417.558 1.407 20 0 HDADRO O=C(CNC(=O)OCC(F)(F)F)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000732307851 1075695708 /nfs/dbraw/zinc/69/57/08/1075695708.db2.gz PJPPXDBNBJMDIN-UHFFFAOYSA-N 1 0 422.448 1.116 20 0 HDADRO C[C@@H]1CN(C(=O)Nc2nnc(Cc3ccccc3F)s2)CC[N@@H+]1CC(C)(C)O ZINC000444821232 1075698469 /nfs/dbraw/zinc/69/84/69/1075698469.db2.gz YWQWXFBSCVGBBM-CYBMUJFWSA-N 1 0 407.515 2.577 20 0 HDADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2CC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)[C@H]2C1 ZINC001084993273 1075699664 /nfs/dbraw/zinc/69/96/64/1075699664.db2.gz WCFMMWQJDFKNBB-ZNGBIBEOSA-N 1 0 410.518 1.906 20 0 HDADRO CN(C)C(=O)Cn1ccc(NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000523629238 1075703071 /nfs/dbraw/zinc/70/30/71/1075703071.db2.gz QMRJFHZLMSCGAC-UHFFFAOYSA-N 1 0 414.510 1.768 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446805682 1075704749 /nfs/dbraw/zinc/70/47/49/1075704749.db2.gz GOCHZKBWMYTARV-GDBMZVCRSA-N 1 0 423.439 2.411 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000429467930 1075706720 /nfs/dbraw/zinc/70/67/20/1075706720.db2.gz PGHFBXYMCPRPCL-ZWKOTPCHSA-N 1 0 418.538 1.325 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@@H+]1C ZINC000550834575 1075714066 /nfs/dbraw/zinc/71/40/66/1075714066.db2.gz BRLUHUKJGBJEFM-OCCSQVGLSA-N 1 0 401.433 1.618 20 0 HDADRO Cc1onc(N)c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000584021336 1075717008 /nfs/dbraw/zinc/71/70/08/1075717008.db2.gz PQOYELLWUJUUED-UHFFFAOYSA-N 1 0 417.329 2.080 20 0 HDADRO C[C@H]1CN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490677787 1075720875 /nfs/dbraw/zinc/72/08/75/1075720875.db2.gz YHXYHGOKFRTSLQ-YJBOKZPZSA-N 1 0 414.533 1.794 20 0 HDADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444510356 1075722251 /nfs/dbraw/zinc/72/22/51/1075722251.db2.gz KUBDAPKZKHBAMX-UHFFFAOYSA-N 1 0 415.391 1.955 20 0 HDADRO Cn1nc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1C1CC1 ZINC000583842841 1075723053 /nfs/dbraw/zinc/72/30/53/1075723053.db2.gz NSENPMPLUYJTKB-UHFFFAOYSA-N 1 0 403.914 2.480 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2ccn(Cc3ccncc3)n2)c1 ZINC000605429349 1075724951 /nfs/dbraw/zinc/72/49/51/1075724951.db2.gz NFJUMTSXQAYBPV-UHFFFAOYSA-N 1 0 421.505 1.940 20 0 HDADRO C[NH+](C)CCOc1ccccc1CNc1ccc(S(=O)(=O)NCC2CC2)cn1 ZINC000563655708 1075726711 /nfs/dbraw/zinc/72/67/11/1075726711.db2.gz JZRJTIMWMLDJEL-UHFFFAOYSA-N 1 0 404.536 2.322 20 0 HDADRO Cc1onc(N)c1S(=O)(=O)NCCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000583349692 1075727918 /nfs/dbraw/zinc/72/79/18/1075727918.db2.gz RSRADFPCBJBOIH-HUUCEWRRSA-N 1 0 422.551 2.053 20 0 HDADRO CN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000442457299 1075728157 /nfs/dbraw/zinc/72/81/57/1075728157.db2.gz FGIJJIRLOVXEQZ-ZWKOTPCHSA-N 1 0 417.485 1.901 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)n1 ZINC000442307466 1075728942 /nfs/dbraw/zinc/72/89/42/1075728942.db2.gz OVUNENZVEOXMIN-QGZVFWFLSA-N 1 0 405.449 2.415 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000467845183 1075729911 /nfs/dbraw/zinc/72/99/11/1075729911.db2.gz ZFXCLZJXFLKXQS-MRXNPFEDSA-N 1 0 405.886 1.637 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)n1 ZINC000488525030 1075730313 /nfs/dbraw/zinc/73/03/13/1075730313.db2.gz CMKSLQCCXPHWGY-INIZCTEOSA-N 1 0 405.886 1.717 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCc3cc(-c4ccccc4)oc3C2)n1 ZINC000446743833 1075730715 /nfs/dbraw/zinc/73/07/15/1075730715.db2.gz LQESZMCMDICNGN-UHFFFAOYSA-N 1 0 407.474 2.228 20 0 HDADRO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000470239118 1075731859 /nfs/dbraw/zinc/73/18/59/1075731859.db2.gz XXALONWAWCZJMG-HNNXBMFYSA-N 1 0 401.577 1.329 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)n1 ZINC000446818887 1075732683 /nfs/dbraw/zinc/73/26/83/1075732683.db2.gz QAAOPVOLXKOILG-HNNXBMFYSA-N 1 0 403.458 1.941 20 0 HDADRO CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000570862806 1075732959 /nfs/dbraw/zinc/73/29/59/1075732959.db2.gz PWNZGSMRUXSXLY-UHFFFAOYSA-N 1 0 412.416 2.107 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)n1 ZINC000569747529 1075733176 /nfs/dbraw/zinc/73/31/76/1075733176.db2.gz SQLYOELSUQSCMG-UHFFFAOYSA-N 1 0 421.461 1.669 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)n1 ZINC000559843122 1075733276 /nfs/dbraw/zinc/73/32/76/1075733276.db2.gz DAOSKGAZXSBMIW-UHFFFAOYSA-N 1 0 422.493 1.617 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)n1 ZINC000467388178 1075738431 /nfs/dbraw/zinc/73/84/31/1075738431.db2.gz JPWVBMKEOZZCOM-OAHLLOKOSA-N 1 0 422.415 2.493 20 0 HDADRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000732413214 1075738695 /nfs/dbraw/zinc/73/86/95/1075738695.db2.gz QVHKMYNAHVUMAW-ROUUACIJSA-N 1 0 400.479 1.341 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)n1 ZINC000506397035 1075738760 /nfs/dbraw/zinc/73/87/60/1075738760.db2.gz OZFMAUFECMCNFY-MRXNPFEDSA-N 1 0 412.473 1.979 20 0 HDADRO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c(OC)c1 ZINC000732413439 1075739454 /nfs/dbraw/zinc/73/94/54/1075739454.db2.gz UWCOHUAESBNDDI-ZWKOTPCHSA-N 1 0 420.506 1.698 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Cn3cc(Br)cn3)on2)n1 ZINC000501778294 1075740358 /nfs/dbraw/zinc/74/03/58/1075740358.db2.gz SPCCXGFSNWPUGO-UHFFFAOYSA-N 1 0 408.260 1.692 20 0 HDADRO CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000732449465 1075741133 /nfs/dbraw/zinc/74/11/33/1075741133.db2.gz SOEMDYYGJMJEEX-SFHVURJKSA-N 1 0 423.558 1.382 20 0 HDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](c1nccn1C)c1ccccc1OC ZINC000732442022 1075744929 /nfs/dbraw/zinc/74/49/29/1075744929.db2.gz RCZZZUSLELGKQW-LPHOPBHVSA-N 1 0 401.511 1.928 20 0 HDADRO Nc1nc(-n2cccn2)cc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000553336047 1075749380 /nfs/dbraw/zinc/74/93/80/1075749380.db2.gz FQYIWVPCAAJFCJ-LJQANCHMSA-N 1 0 404.522 1.641 20 0 HDADRO Nc1nc(-n2cccn2)cc(NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000514765035 1075749903 /nfs/dbraw/zinc/74/99/03/1075749903.db2.gz TXBWKRHQGNMIOZ-UHFFFAOYSA-N 1 0 412.885 1.659 20 0 HDADRO Nc1nc(-n2cccn2)cc(NCCNS(=O)(=O)c2ccc(F)cc2Cl)[nH+]1 ZINC000509523539 1075750078 /nfs/dbraw/zinc/75/00/78/1075750078.db2.gz KJDAPZHJSIJIFL-UHFFFAOYSA-N 1 0 411.850 1.427 20 0 HDADRO C[NH+]1CCN(C[C@H](NC(=O)N2CCCC[C@H]2C2OCCO2)c2ccccc2)CC1 ZINC000732462200 1075751025 /nfs/dbraw/zinc/75/10/25/1075751025.db2.gz RNKVZBNKVYICCB-PMACEKPBSA-N 1 0 402.539 1.912 20 0 HDADRO C[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C[NH+](C)C ZINC000559975395 1075755233 /nfs/dbraw/zinc/75/52/33/1075755233.db2.gz CIHPJLVWXCQLMC-GFCCVEGCSA-N 1 0 408.300 1.887 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000614168634 1075761019 /nfs/dbraw/zinc/76/10/19/1075761019.db2.gz IZFNJWJTOCNUGG-UHFFFAOYSA-N 1 0 408.510 1.432 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000732485177 1075762023 /nfs/dbraw/zinc/76/20/23/1075762023.db2.gz NMWYRDLQKZETER-JTQLQIEISA-N 1 0 406.886 1.955 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1nc(C(F)(F)F)cs1 ZINC000427718772 1075764806 /nfs/dbraw/zinc/76/48/06/1075764806.db2.gz NPULYDJUYBZZEZ-VIFPVBQESA-N 1 0 404.418 1.736 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000441710306 1075765089 /nfs/dbraw/zinc/76/50/89/1075765089.db2.gz YWUHPJSDQNMWFF-OXJNMPFZSA-N 1 0 406.490 2.073 20 0 HDADRO Nc1nsc(N2CCN(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)CC2)n1 ZINC000442595898 1075767843 /nfs/dbraw/zinc/76/78/43/1075767843.db2.gz OKOAVFZDXFAISS-UHFFFAOYSA-N 1 0 407.588 1.998 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000429479242 1075769586 /nfs/dbraw/zinc/76/95/86/1075769586.db2.gz WHBCGBPQHZZUJP-AWEZNQCLSA-N 1 0 401.511 1.816 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000804222963 1075774914 /nfs/dbraw/zinc/77/49/14/1075774914.db2.gz FRPKOOATDGKTIY-CVEARBPZSA-N 1 0 410.559 1.739 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(N3CCCCC3)c2)CC1 ZINC000142184542 1075776004 /nfs/dbraw/zinc/77/60/04/1075776004.db2.gz KWVALVPAXXGSSD-UHFFFAOYSA-N 1 0 401.555 1.758 20 0 HDADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000142198866 1075776632 /nfs/dbraw/zinc/77/66/32/1075776632.db2.gz YKQBRLOPLGGNRG-GOSISDBHSA-N 1 0 419.526 1.216 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000804225730 1075777754 /nfs/dbraw/zinc/77/77/54/1075777754.db2.gz SKIWJJFSRQGWIR-OAHLLOKOSA-N 1 0 410.559 1.739 20 0 HDADRO CC(C)C[NH+]1CCN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000509272133 1075778857 /nfs/dbraw/zinc/77/88/57/1075778857.db2.gz GIEYPLZJCRJAOO-MRXNPFEDSA-N 1 0 414.597 1.742 20 0 HDADRO C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CCCS(=O)(=O)C2)CCOCC1)c1ccccc1 ZINC000543689786 1075780491 /nfs/dbraw/zinc/78/04/91/1075780491.db2.gz LJGASSODLGNTKN-WMZOPIPTSA-N 1 0 409.552 1.763 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)CCCCN3C(=O)c4ccccc4C3=O)n2)CC1 ZINC000560692078 1075781582 /nfs/dbraw/zinc/78/15/82/1075781582.db2.gz MTIOHWADUOORHQ-UHFFFAOYSA-N 1 0 409.490 2.555 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)CNC(=O)c3ccccc3C(F)(F)F)n2)CC1 ZINC000428269172 1075781806 /nfs/dbraw/zinc/78/18/06/1075781806.db2.gz ICRMKJIWULEAQV-UHFFFAOYSA-N 1 0 409.412 2.537 20 0 HDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)COCCNC(=O)OC(C)(C)C)CC1 ZINC000732552454 1075784653 /nfs/dbraw/zinc/78/46/53/1075784653.db2.gz CNOJGGUIQVRCGZ-ROUUACIJSA-N 1 0 412.575 1.545 20 0 HDADRO COc1cc(C)c(CN2CCN(C(=O)C[N@@H+]3CCC[C@H](CO)C3)CC2)cc1OC ZINC000016337862 1075785814 /nfs/dbraw/zinc/78/58/14/1075785814.db2.gz ATQOSEAJQJWQIQ-SFHVURJKSA-N 1 0 405.539 1.361 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)n2)CC1 ZINC000574344075 1075785990 /nfs/dbraw/zinc/78/59/90/1075785990.db2.gz BCEKXHLUFHVSHN-UHFFFAOYSA-N 1 0 411.466 1.846 20 0 HDADRO Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672058013 1075788829 /nfs/dbraw/zinc/78/88/29/1075788829.db2.gz YJOGMHGAQVVLGJ-GOSISDBHSA-N 1 0 411.550 1.373 20 0 HDADRO CN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732562545 1075789024 /nfs/dbraw/zinc/78/90/24/1075789024.db2.gz GIGTUZDZNZJOPQ-HNNXBMFYSA-N 1 0 420.608 1.922 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000732569884 1075790461 /nfs/dbraw/zinc/79/04/61/1075790461.db2.gz UOKCMTPSSIMLCH-KRWDZBQOSA-N 1 0 422.533 1.938 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)C(=O)Nc1ccccc1 ZINC000732594258 1075791642 /nfs/dbraw/zinc/79/16/42/1075791642.db2.gz UARZWBKEUSGXTL-INIZCTEOSA-N 1 0 409.490 1.520 20 0 HDADRO C[N@@H+]1CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1(C)C ZINC000443116816 1075791794 /nfs/dbraw/zinc/79/17/94/1075791794.db2.gz DMNOLOVYQGYLFK-UHFFFAOYSA-N 1 0 418.929 1.606 20 0 HDADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(CCO)CCN2CCOCC2)CC1 ZINC000487231296 1075792586 /nfs/dbraw/zinc/79/25/86/1075792586.db2.gz MZEGDNHWJBXXBN-IBGZPJMESA-N 1 0 404.555 1.548 20 0 HDADRO C[NH+]1CCN(c2cc(C(=O)N[C@@H](C(=O)Nc3cc[nH]n3)c3ccccc3)ccn2)CC1 ZINC000498564252 1075792959 /nfs/dbraw/zinc/79/29/59/1075792959.db2.gz SCNPRLQYMSFIME-HXUWFJFHSA-N 1 0 419.489 1.666 20 0 HDADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000804237908 1075793274 /nfs/dbraw/zinc/79/32/74/1075793274.db2.gz YVVWOHPZCRHOJZ-CPFNUKBASA-N 1 0 424.586 1.985 20 0 HDADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732589503 1075795760 /nfs/dbraw/zinc/79/57/60/1075795760.db2.gz BAOVFEIWXOTXHW-MRXNPFEDSA-N 1 0 400.445 1.966 20 0 HDADRO Cc1noc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)n1 ZINC000509273855 1075796038 /nfs/dbraw/zinc/79/60/38/1075796038.db2.gz JFDHFOZCTCYBLG-INIZCTEOSA-N 1 0 414.466 1.548 20 0 HDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000804239964 1075796170 /nfs/dbraw/zinc/79/61/70/1075796170.db2.gz HEUUDKIVZHPFAL-OPQOLIRYSA-N 1 0 407.511 1.167 20 0 HDADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1 ZINC000551045816 1075797848 /nfs/dbraw/zinc/79/78/48/1075797848.db2.gz YFYLPSAXYZKUJQ-AWEZNQCLSA-N 1 0 415.460 1.867 20 0 HDADRO C[C@@H]1CN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000804243335 1075799423 /nfs/dbraw/zinc/79/94/23/1075799423.db2.gz ZHTNICOCCPQQRY-CPFNUKBASA-N 1 0 424.586 1.985 20 0 HDADRO O=S(=O)(c1ccc(CC[NH2+]C2CCS(=O)(=O)CC2)s1)N1CCCCC1 ZINC000463191436 1075801292 /nfs/dbraw/zinc/80/12/92/1075801292.db2.gz PMANHFCPVHOUGV-UHFFFAOYSA-N 1 0 406.595 1.632 20 0 HDADRO CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCS(=O)(=O)CC2)C1=O ZINC000463282167 1075801946 /nfs/dbraw/zinc/80/19/46/1075801946.db2.gz QMEGPCLXDMAJGL-MSOLQXFVSA-N 1 0 422.547 1.837 20 0 HDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H](c2ccccc2)O1 ZINC000427036302 1075804003 /nfs/dbraw/zinc/80/40/03/1075804003.db2.gz YAMIUVAZNABBQS-LPHOPBHVSA-N 1 0 411.506 2.077 20 0 HDADRO CCc1cccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1CC ZINC000487865895 1075804861 /nfs/dbraw/zinc/80/48/61/1075804861.db2.gz FFSHDOUDTHGATJ-UHFFFAOYSA-N 1 0 400.523 1.517 20 0 HDADRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000543599131 1075806931 /nfs/dbraw/zinc/80/69/31/1075806931.db2.gz MVBWFRKSINXHHW-IRXDYDNUSA-N 1 0 414.535 1.793 20 0 HDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435305428 1075808404 /nfs/dbraw/zinc/80/84/04/1075808404.db2.gz HCNBPOBAWWKRRL-HNNXBMFYSA-N 1 0 404.511 2.157 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000462802395 1075809964 /nfs/dbraw/zinc/80/99/64/1075809964.db2.gz MSBCINGLTBZETE-WMLDXEAASA-N 1 0 422.489 2.019 20 0 HDADRO N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000143423831 1075812272 /nfs/dbraw/zinc/81/22/72/1075812272.db2.gz BHGFNUORKCAIRB-UHFFFAOYSA-N 1 0 406.490 1.758 20 0 HDADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC(c4cc(F)ccc4F)=NO3)cn2)CC1 ZINC000732655136 1075817388 /nfs/dbraw/zinc/81/73/88/1075817388.db2.gz QNKFNJQDUAQCSK-IBGZPJMESA-N 1 0 415.444 1.921 20 0 HDADRO CCOC(=O)CC[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000611036412 1075817871 /nfs/dbraw/zinc/81/78/71/1075817871.db2.gz UCYIVJKMGQRSCS-SFHVURJKSA-N 1 0 403.527 1.571 20 0 HDADRO COc1cc(CNC[C@](C)(O)C[NH+](C)C)cc(I)c1OC ZINC000611039464 1075819000 /nfs/dbraw/zinc/81/90/00/1075819000.db2.gz XHYJPWYLCZYACN-HNNXBMFYSA-N 1 0 408.280 1.711 20 0 HDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732658868 1075819127 /nfs/dbraw/zinc/81/91/27/1075819127.db2.gz CYFGFPMCVRMKIY-ROUUACIJSA-N 1 0 406.433 1.399 20 0 HDADRO CSC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000429285382 1075820387 /nfs/dbraw/zinc/82/03/87/1075820387.db2.gz OBRRRSBPPTTXBJ-HNNXBMFYSA-N 1 0 403.556 1.087 20 0 HDADRO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000611064053 1075823079 /nfs/dbraw/zinc/82/30/79/1075823079.db2.gz SDVKWEAVPYTWMI-HOJAQTOUSA-N 1 0 405.587 1.445 20 0 HDADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000732674161 1075828520 /nfs/dbraw/zinc/82/85/20/1075828520.db2.gz DDJRTVIKPJQFKI-ZDUSSCGKSA-N 1 0 414.494 1.722 20 0 HDADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 ZINC000732707482 1075839928 /nfs/dbraw/zinc/83/99/28/1075839928.db2.gz YHNAGGFESZSTJI-UHFFFAOYSA-N 1 0 418.494 1.147 20 0 HDADRO CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000732706978 1075840511 /nfs/dbraw/zinc/84/05/11/1075840511.db2.gz VHMHBTORBOHICX-UHFFFAOYSA-N 1 0 406.483 1.763 20 0 HDADRO CCC1(CC)[C@H]([NH2+]CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)[C@@H](C)[C@@H]1OC ZINC000429295596 1075844807 /nfs/dbraw/zinc/84/48/07/1075844807.db2.gz QLVDJWOVJOVPPG-ZNOIYHFQSA-N 1 0 409.552 1.652 20 0 HDADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)Cc2cnn(-c3ccccc3)n2)cc1 ZINC000732763943 1075848168 /nfs/dbraw/zinc/84/81/68/1075848168.db2.gz NKKZQXIHEPCQAL-UHFFFAOYSA-N 1 0 406.490 1.418 20 0 HDADRO Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000732778494 1075855264 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424.539 1.914 20 0 HDADRO CCC[NH+]1CCC(N(C)C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000733042388 1075963314 /nfs/dbraw/zinc/96/33/14/1075963314.db2.gz PAYOVKPQBZTZDE-UHFFFAOYSA-N 1 0 410.531 1.767 20 0 HDADRO CC(C)c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001691673324 1075965469 /nfs/dbraw/zinc/96/54/69/1075965469.db2.gz OJIHBWSECBTHNB-IBGZPJMESA-N 1 0 417.539 1.815 20 0 HDADRO O=C(/C=C/C1CC1)NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079159706 1075965583 /nfs/dbraw/zinc/96/55/83/1075965583.db2.gz MDTDRIGPWMNDAE-RJAGOWMVSA-N 1 0 401.551 1.807 20 0 HDADRO Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1ccccc1F ZINC001079303907 1075968696 /nfs/dbraw/zinc/96/86/96/1075968696.db2.gz GYWITEZPNNFUSB-VJWNIMFCSA-N 1 0 411.481 1.462 20 0 HDADRO C[C@@H]1C[C@H](CCNC(=O)N(CCO)CCN2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000490991411 1075970608 /nfs/dbraw/zinc/97/06/08/1075970608.db2.gz AWMFGAOIPYNLMV-IRLDBZIGSA-N 1 0 418.582 1.623 20 0 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CCACREYLLIQLNW-HKUYNNGSSA-N 1 0 402.520 1.916 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2F)CCOCC1 ZINC000733853797 1076230297 /nfs/dbraw/zinc/23/02/97/1076230297.db2.gz UDCOUVCBKWIVHQ-UHFFFAOYSA-N 1 0 406.458 1.118 20 0 HDADRO COC(=O)CC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C(C)C ZINC000733896222 1076256372 /nfs/dbraw/zinc/25/63/72/1076256372.db2.gz LIMJUGJISIXDOA-UHFFFAOYSA-N 1 0 424.523 1.369 20 0 HDADRO O=S(=O)(NCC[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000733898344 1076258975 /nfs/dbraw/zinc/25/89/75/1076258975.db2.gz QXCNQTDSMYXDIL-OAQYLSRUSA-N 1 0 403.548 1.582 20 0 HDADRO COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000733898067 1076259318 /nfs/dbraw/zinc/25/93/18/1076259318.db2.gz CBACSIPDAMATSW-LQYUOIDQSA-N 1 0 412.508 1.462 20 0 HDADRO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NC2CC[NH+](C(C)C)CC2)C1=O ZINC000733903707 1076261245 /nfs/dbraw/zinc/26/12/45/1076261245.db2.gz QAOKEXMVUMOWGZ-JOCHJYFZSA-N 1 0 416.522 1.841 20 0 HDADRO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000727828816 1076263349 /nfs/dbraw/zinc/26/33/49/1076263349.db2.gz NSTBMTFBLARPGH-IBGZPJMESA-N 1 0 402.539 1.884 20 0 HDADRO CC(C)NC(=O)c1ccccc1NC(=O)CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000727832512 1076264210 /nfs/dbraw/zinc/26/42/10/1076264210.db2.gz GFIMFMXTORGZAL-UHFFFAOYSA-N 1 0 402.539 1.808 20 0 HDADRO CNC(=O)CC[N@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000727832996 1076264437 /nfs/dbraw/zinc/26/44/37/1076264437.db2.gz HVZXEPAQLHIFCK-RVDMUPIBSA-N 1 0 422.482 1.046 20 0 HDADRO CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC[C@@H]1C[NH+]1CCCCC1)C2=O ZINC000727833653 1076264581 /nfs/dbraw/zinc/26/45/81/1076264581.db2.gz XKZYCGYHHLELFE-BQIYRTECSA-N 1 0 405.543 1.469 20 0 HDADRO COCC[N@@H+]1CCC[C@H]1CNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000727838893 1076266302 /nfs/dbraw/zinc/26/63/02/1076266302.db2.gz SWEBZOZZKMMRIK-GJZGRUSLSA-N 1 0 404.964 1.405 20 0 HDADRO C[NH+]1CCN(C[C@@H](NC(=O)NCc2ccc(-n3cncn3)nc2)c2ccccc2)CC1 ZINC000727842082 1076266981 /nfs/dbraw/zinc/26/69/81/1076266981.db2.gz HMWQLGVLAXMXOD-HXUWFJFHSA-N 1 0 420.521 1.450 20 0 HDADRO CC(C)[N@@H+]1CCCN(CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 ZINC000727823258 1076268161 /nfs/dbraw/zinc/26/81/61/1076268161.db2.gz FPNDMYAPKXYTBD-HXUWFJFHSA-N 1 0 422.551 1.231 20 0 HDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000727853021 1076272445 /nfs/dbraw/zinc/27/24/45/1076272445.db2.gz FCJMUOQRTSWTFW-KBPBESRZSA-N 1 0 420.432 1.090 20 0 HDADRO COCCN(CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)C(=O)OC(C)(C)C ZINC000733950161 1076272884 /nfs/dbraw/zinc/27/28/84/1076272884.db2.gz OHDMVOVNHWHSSR-UHFFFAOYSA-N 1 0 407.515 1.655 20 0 HDADRO CCCC1N=NC(=S)N1CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000727859817 1076274682 /nfs/dbraw/zinc/27/46/82/1076274682.db2.gz BZHYRULAIKHDGE-KRWDZBQOSA-N 1 0 402.568 1.624 20 0 HDADRO COCCN1C(=O)c2ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc2S1(=O)=O ZINC000733972840 1076279262 /nfs/dbraw/zinc/27/92/62/1076279262.db2.gz AFCFDBJUJABNKM-HNNXBMFYSA-N 1 0 411.524 1.184 20 0 HDADRO C[NH+](C)CC1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 ZINC000733975729 1076280395 /nfs/dbraw/zinc/28/03/95/1076280395.db2.gz LBSFYSVBGHJCGK-SFHVURJKSA-N 1 0 404.511 1.347 20 0 HDADRO C[NH+](C)C[C@H]1CCN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)C1 ZINC000733980200 1076281510 /nfs/dbraw/zinc/28/15/10/1076281510.db2.gz JKTKCPPXVFKTRP-OAHLLOKOSA-N 1 0 406.531 1.874 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@](C)(O)c2ccc(F)cc2F)CC1 ZINC000734009858 1076289367 /nfs/dbraw/zinc/28/93/67/1076289367.db2.gz YNRRPPOYLNRJSJ-NRFANRHFSA-N 1 0 419.476 1.819 20 0 HDADRO CCOC(=O)N1CCCN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000727946102 1076293146 /nfs/dbraw/zinc/29/31/46/1076293146.db2.gz RTBHVCSXNXUTIX-FQEVSTJZSA-N 1 0 417.554 1.849 20 0 HDADRO COC(=O)N1CCN(C(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)CC1 ZINC000727946814 1076293211 /nfs/dbraw/zinc/29/32/11/1076293211.db2.gz PGIBLNFDVDSXQS-OAHLLOKOSA-N 1 0 402.495 1.896 20 0 HDADRO CCOC(=O)N[C@H]1CCCN(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000727946449 1076293252 /nfs/dbraw/zinc/29/32/52/1076293252.db2.gz ZZIZNZMFQOGJIW-PMACEKPBSA-N 1 0 417.554 1.895 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)C3CCCCC3)cc2)CC1 ZINC000727949689 1076294246 /nfs/dbraw/zinc/29/42/46/1076294246.db2.gz WKKBLNWMOMFFTM-HXUWFJFHSA-N 1 0 402.539 1.824 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 ZINC001545677058 1076299673 /nfs/dbraw/zinc/29/96/73/1076299673.db2.gz PKVWAUSVWWSZSL-QGZVFWFLSA-N 1 0 414.554 1.738 20 0 HDADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000728020820 1076306147 /nfs/dbraw/zinc/30/61/47/1076306147.db2.gz FAZQCDHFAKDAIN-YWXGMFSMSA-N 1 0 417.579 1.707 20 0 HDADRO Cn1nc(Br)c2c1ncnc2NCc1cccnc1N1CC[NH+](C)CC1 ZINC000728050913 1076319701 /nfs/dbraw/zinc/31/97/01/1076319701.db2.gz CHDWGEOBHWSAIY-UHFFFAOYSA-N 1 0 417.315 1.885 20 0 HDADRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3OCCO3)C2)c(=O)n(-c2ccccc2)n1C ZINC000728053424 1076320690 /nfs/dbraw/zinc/32/06/90/1076320690.db2.gz JYIZPPVQVQBMTF-IRXDYDNUSA-N 1 0 414.506 1.896 20 0 HDADRO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000728054602 1076321832 /nfs/dbraw/zinc/32/18/32/1076321832.db2.gz XSKRYDJJTVDLEA-HNAYVOBHSA-N 1 0 415.490 1.453 20 0 HDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000728072242 1076333013 /nfs/dbraw/zinc/33/30/13/1076333013.db2.gz AUMMJCVPZNNXEW-OAQYLSRUSA-N 1 0 409.530 1.981 20 0 HDADRO CCCS(=O)(=O)Nc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000728107850 1076336520 /nfs/dbraw/zinc/33/65/20/1076336520.db2.gz IDXVIKYECPNQMC-UHFFFAOYSA-N 1 0 423.535 1.738 20 0 HDADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)CCS(C)(=O)=O)CC1 ZINC000728117515 1076337767 /nfs/dbraw/zinc/33/77/67/1076337767.db2.gz NXPJEFZHCOONEI-UHFFFAOYSA-N 1 0 402.948 1.990 20 0 HDADRO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000025252532 1076350665 /nfs/dbraw/zinc/35/06/65/1076350665.db2.gz HZUSAMKQWZGOGM-WMZOPIPTSA-N 1 0 417.531 1.753 20 0 HDADRO COc1ccc([C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[NH+]2CCCCC2)cc1 ZINC000029694273 1076363345 /nfs/dbraw/zinc/36/33/45/1076363345.db2.gz DIZDIZFCVUIAME-NRFANRHFSA-N 1 0 402.539 1.503 20 0 HDADRO COC(=O)Nc1cc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)ccc1F ZINC000729883031 1076375418 /nfs/dbraw/zinc/37/54/18/1076375418.db2.gz XIOGLBIYCCIQKH-UHFFFAOYSA-N 1 0 422.457 1.704 20 0 HDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)C1 ZINC000729983067 1076407440 /nfs/dbraw/zinc/40/74/40/1076407440.db2.gz KSZJZOFMOJBOKP-OAHLLOKOSA-N 1 0 409.508 1.080 20 0 HDADRO CNC(=O)C1(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)CCC1 ZINC000730048760 1076421580 /nfs/dbraw/zinc/42/15/80/1076421580.db2.gz MIHMEDBFCGMYTL-UHFFFAOYSA-N 1 0 417.506 1.189 20 0 HDADRO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000730083621 1076431379 /nfs/dbraw/zinc/43/13/79/1076431379.db2.gz RBPVYEZKWNBSSX-JYJNAYRXSA-N 1 0 401.573 1.690 20 0 HDADRO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000730083620 1076431469 /nfs/dbraw/zinc/43/14/69/1076431469.db2.gz RBPVYEZKWNBSSX-HRCADAONSA-N 1 0 401.573 1.690 20 0 HDADRO Cc1cccc(C2N=NC(=S)N2CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000730083254 1076432014 /nfs/dbraw/zinc/43/20/14/1076432014.db2.gz GQPHEFOSBMARTN-SJORKVTESA-N 1 0 401.536 1.600 20 0 HDADRO O=C(CCNS(=O)(=O)/C=C/c1ccccc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000730085212 1076435816 /nfs/dbraw/zinc/43/58/16/1076435816.db2.gz DKPDKYOJTROOAY-UEOVIOECSA-N 1 0 407.536 1.024 20 0 HDADRO COc1cccc([C@H](CNC(=O)Cc2c(C)[nH]c3nn(C)c(=O)c-3c2C)[NH+](C)C)c1 ZINC000730096112 1076450540 /nfs/dbraw/zinc/45/05/40/1076450540.db2.gz LSPVZBCJZRAWMY-SFHVURJKSA-N 1 0 411.506 1.849 20 0 HDADRO NC(C[NH+]1CCCCCC1)=NOCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000730100610 1076453874 /nfs/dbraw/zinc/45/38/74/1076453874.db2.gz SJMGGOHRNYSDHL-KRWDZBQOSA-N 1 0 414.572 1.319 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000730134061 1076460220 /nfs/dbraw/zinc/46/02/20/1076460220.db2.gz LUBSINVACFSADK-QGZVFWFLSA-N 1 0 411.591 1.911 20 0 HDADRO CN1CCC([NH+]2CCC(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 ZINC000730216074 1076479149 /nfs/dbraw/zinc/47/91/49/1076479149.db2.gz MPIDCMJNXUWPQI-INIZCTEOSA-N 1 0 402.514 1.853 20 0 HDADRO CC(C)(C)OC(=O)NC1(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CCCC1 ZINC000730218897 1076480018 /nfs/dbraw/zinc/48/00/18/1076480018.db2.gz RXZGGSZSMZGVNI-INIZCTEOSA-N 1 0 408.543 1.765 20 0 HDADRO Cc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000730227453 1076485239 /nfs/dbraw/zinc/48/52/39/1076485239.db2.gz FZQSYRBTMPNSSU-MRXNPFEDSA-N 1 0 402.568 1.684 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000730228668 1076485638 /nfs/dbraw/zinc/48/56/38/1076485638.db2.gz VTLHAHSMXPCHMN-HKUYNNGSSA-N 1 0 404.555 1.875 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000730269284 1076510806 /nfs/dbraw/zinc/51/08/06/1076510806.db2.gz SDUOYHYKIVBSBH-RQWJFSOLSA-N 1 0 402.358 1.975 20 0 HDADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000730289974 1076515139 /nfs/dbraw/zinc/51/51/39/1076515139.db2.gz LPFMWBAHFVRAIY-QJVFRXGESA-N 1 0 408.612 1.730 20 0 HDADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000730275909 1076518021 /nfs/dbraw/zinc/51/80/21/1076518021.db2.gz BJENTGCKUAVJRW-UHFFFAOYSA-N 1 0 422.533 1.807 20 0 HDADRO CC(C)[C@H](C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1)[NH+](C)C ZINC000730279680 1076520672 /nfs/dbraw/zinc/52/06/72/1076520672.db2.gz QGQLTQWDQUNLOO-QZTJIDSGSA-N 1 0 424.586 1.891 20 0 HDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000730391376 1076559397 /nfs/dbraw/zinc/55/93/97/1076559397.db2.gz NBKMXKQHVDYEAZ-INIZCTEOSA-N 1 0 420.510 1.691 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCn2c3ccccc3oc2=O)CC1 ZINC000730388648 1076569076 /nfs/dbraw/zinc/56/90/76/1076569076.db2.gz SWKLDUCXXBLJRQ-UHFFFAOYSA-N 1 0 423.473 1.101 20 0 HDADRO CC(C)[N@@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@H](C)O ZINC000730419150 1076574551 /nfs/dbraw/zinc/57/45/51/1076574551.db2.gz GFOOKIHSXLYURN-MXHVWWQHSA-N 1 0 409.552 1.223 20 0 HDADRO CCOC(=O)C1C(C[N@H+](C[C@@H](C)O)C(C)C)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000730420292 1076575048 /nfs/dbraw/zinc/57/50/48/1076575048.db2.gz WWPUAMNDNNWQHH-KUHUBIRLSA-N 1 0 405.495 1.958 20 0 HDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000730538871 1076585581 /nfs/dbraw/zinc/58/55/81/1076585581.db2.gz ASYBAIWGOLUWFF-XUVXKRRUSA-N 1 0 421.563 1.208 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000730560168 1076594684 /nfs/dbraw/zinc/59/46/84/1076594684.db2.gz SYUOBHVBGPYFBC-OAHLLOKOSA-N 1 0 420.608 1.924 20 0 HDADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000730559572 1076595015 /nfs/dbraw/zinc/59/50/15/1076595015.db2.gz HHYDGUMGDNOJDG-JDZHNHJDSA-N 1 0 408.612 1.873 20 0 HDADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](CC(=O)N2CCO[C@H](C)C2)C(C)C)cc1 ZINC000730568051 1076604125 /nfs/dbraw/zinc/60/41/25/1076604125.db2.gz ARQDPFYZVGPRGY-VQIMIIECSA-N 1 0 407.511 1.342 20 0 HDADRO O=C(c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730796619 1076652611 /nfs/dbraw/zinc/65/26/11/1076652611.db2.gz MJKWTWBPBWAAIF-INIZCTEOSA-N 1 0 403.504 1.694 20 0 HDADRO COCCN1C(=O)c2ccc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2S1(=O)=O ZINC000730798349 1076653445 /nfs/dbraw/zinc/65/34/45/1076653445.db2.gz VHAIIVDJQULRSV-INIZCTEOSA-N 1 0 421.519 1.178 20 0 HDADRO CC(C)N1C(=O)c2ccc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2S1(=O)=O ZINC000730793769 1076661565 /nfs/dbraw/zinc/66/15/65/1076661565.db2.gz KCLFZSRUVAEOBO-INIZCTEOSA-N 1 0 405.520 1.940 20 0 HDADRO Cn1ccnc1[C@](O)(CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C(F)(F)F ZINC000730823925 1076662687 /nfs/dbraw/zinc/66/26/87/1076662687.db2.gz QICKEQDMROGZFH-WMLDXEAASA-N 1 0 403.449 1.830 20 0 HDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000730831421 1076664134 /nfs/dbraw/zinc/66/41/34/1076664134.db2.gz JZXNDKFWMPAJAP-QGZVFWFLSA-N 1 0 423.558 1.336 20 0 HDADRO COCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000730841935 1076671072 /nfs/dbraw/zinc/67/10/72/1076671072.db2.gz SBFQZIXIRPLYRP-CVDCTZTESA-N 1 0 424.501 1.444 20 0 HDADRO O=C(NCCNS(=O)(=O)Cc1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000730902690 1076688457 /nfs/dbraw/zinc/68/84/57/1076688457.db2.gz QLKQTIGCDCZROQ-LJQANCHMSA-N 1 0 408.568 1.766 20 0 HDADRO COCCOC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000730918019 1076691499 /nfs/dbraw/zinc/69/14/99/1076691499.db2.gz BITBWURKONGNCB-SFHVURJKSA-N 1 0 418.494 1.907 20 0 HDADRO COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000730917889 1076692089 /nfs/dbraw/zinc/69/20/89/1076692089.db2.gz LGECDNLBMJDBNT-SFHVURJKSA-N 1 0 402.495 1.687 20 0 HDADRO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000730919829 1076693310 /nfs/dbraw/zinc/69/33/10/1076693310.db2.gz RGYQCRGIAGXXLV-LJQANCHMSA-N 1 0 413.522 1.038 20 0 HDADRO O=C(Nc1ccc(-n2cncn2)c(Cl)c1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730921504 1076693741 /nfs/dbraw/zinc/69/37/41/1076693741.db2.gz UWTLBOYSADHHOS-OAHLLOKOSA-N 1 0 402.886 1.946 20 0 HDADRO COc1ccc(OC)c(CN2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000730936891 1076697557 /nfs/dbraw/zinc/69/75/57/1076697557.db2.gz QFRVHYWYZJUQQR-UHFFFAOYSA-N 1 0 419.547 1.712 20 0 HDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C ZINC000731007185 1076709340 /nfs/dbraw/zinc/70/93/40/1076709340.db2.gz IQHOVVUHNKIEFO-AMRJIULGSA-N 1 0 400.483 1.215 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3ccnc(-n4ccnc4)c3)c2)C1 ZINC000731008559 1076709712 /nfs/dbraw/zinc/70/97/12/1076709712.db2.gz INLZOAJZNLIDSE-HXUWFJFHSA-N 1 0 418.501 1.895 20 0 HDADRO COC(=O)CN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000731108313 1076728890 /nfs/dbraw/zinc/72/88/90/1076728890.db2.gz KCIWEDMOKWRQBK-QGZVFWFLSA-N 1 0 403.527 1.445 20 0 HDADRO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccc(OCC(N)=O)cc3)CC2)CC1 ZINC000731214673 1076748739 /nfs/dbraw/zinc/74/87/39/1076748739.db2.gz NGNJYWLUYSERKG-UHFFFAOYSA-N 1 0 402.539 1.317 20 0 HDADRO C[C@H](OC(=O)CCCS(C)(=O)=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000731255218 1076771123 /nfs/dbraw/zinc/77/11/23/1076771123.db2.gz DKPGUVZRKIWWCW-INIZCTEOSA-N 1 0 410.536 1.524 20 0 HDADRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC001560102102 1126208133 /nfs/dbraw/zinc/20/81/33/1126208133.db2.gz DOVBAXVRFGWQBN-HXUWFJFHSA-N 1 0 409.552 1.636 20 0 HDADRO COc1ccc2nc(C(F)(F)N3CC(=O)NC4(CC[NH2+]CC4)C3)nc(Cl)c2c1 ZINC001164391110 718809561 /nfs/dbraw/zinc/80/95/61/718809561.db2.gz FQKLAXPMRVTXGV-UHFFFAOYSA-N 1 0 411.840 1.895 20 0 HDADRO O=C(NCCSCc1ccco1)c1cccnc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164398098 718836604 /nfs/dbraw/zinc/83/66/04/718836604.db2.gz BBRYIMGQPLYSKU-MRXNPFEDSA-N 1 0 401.536 1.432 20 0 HDADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@H]4C[C@@]4([NH3+])C3)c2c1C ZINC001164420650 718888426 /nfs/dbraw/zinc/88/84/26/718888426.db2.gz VIUCAOWJRIJWRP-ZUOKHONESA-N 1 0 417.535 1.546 20 0 HDADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164420174 718913948 /nfs/dbraw/zinc/91/39/48/718913948.db2.gz GVNWFRHSPFJRBL-QGZVFWFLSA-N 1 0 417.888 1.860 20 0 HDADRO COCCN1CCN(C)C2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)C1=O ZINC001164644338 719281461 /nfs/dbraw/zinc/28/14/61/719281461.db2.gz JGWDQANSWWUHJA-UHFFFAOYSA-N 1 0 401.555 1.435 20 0 HDADRO CC(C)N(C)Cc1nn(-c2ncc3c(n2)N2CCC[C@H]2C(=O)N3C)c2c1CC[NH2+]C2 ZINC001164683191 719622562 /nfs/dbraw/zinc/62/25/62/719622562.db2.gz RJMSOMZBJYOQJY-INIZCTEOSA-N 1 0 410.526 1.093 20 0 HDADRO CCOC(=O)c1ccc2ncnc(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)c2c1 ZINC001164687188 719720269 /nfs/dbraw/zinc/72/02/69/719720269.db2.gz UZIHCBUCZGLCMG-UHFFFAOYSA-N 1 0 411.506 1.987 20 0 HDADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001164705727 719871925 /nfs/dbraw/zinc/87/19/25/719871925.db2.gz OCWRWKKGYPETHG-SIKLNZKXSA-N 1 0 402.539 1.909 20 0 HDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc(S(C)(=O)=O)n1)C2 ZINC001164815380 720067738 /nfs/dbraw/zinc/06/77/38/720067738.db2.gz YWKBDKJPCXRBPU-RDTXWAMCSA-N 1 0 414.959 1.718 20 0 HDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(=O)N3CCOCC3)cn1)C2 ZINC001164813181 720075560 /nfs/dbraw/zinc/07/55/60/720075560.db2.gz SXIDBRNHDFCFBZ-NFBKMPQASA-N 1 0 414.550 1.739 20 0 HDADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c1COC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164715902 720174289 /nfs/dbraw/zinc/17/42/89/720174289.db2.gz DFOORBKSDBULSS-INIZCTEOSA-N 1 0 419.917 1.505 20 0 HDADRO COCc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(C)n1 ZINC001164718817 720179234 /nfs/dbraw/zinc/17/92/34/720179234.db2.gz RWSISNPJPOAOOF-SFHVURJKSA-N 1 0 401.515 1.276 20 0 HDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cncc(SCC(=O)OC)n1)C2 ZINC001164817864 720181384 /nfs/dbraw/zinc/18/13/84/720181384.db2.gz QPWWGLUMTDCOHO-OXJNMPFZSA-N 1 0 406.552 1.926 20 0 HDADRO COc1nc(Cl)nc(C)c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718341 720181669 /nfs/dbraw/zinc/18/16/69/720181669.db2.gz OVZYUDKHSQUKOF-HNNXBMFYSA-N 1 0 421.933 1.792 20 0 HDADRO Cn1nnc2c1CCN(c1nccc(OC(C)(C)C)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715930 720183495 /nfs/dbraw/zinc/18/34/95/720183495.db2.gz DSQISSYCXJJWGC-KRWDZBQOSA-N 1 0 415.542 1.999 20 0 HDADRO Cc1cn(-c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nn2)cn1 ZINC001164713939 720190242 /nfs/dbraw/zinc/19/02/42/720190242.db2.gz FIFRBYSZFZVISA-SFHVURJKSA-N 1 0 423.525 1.315 20 0 HDADRO Cc1cn(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)cn1 ZINC001164713936 720190957 /nfs/dbraw/zinc/19/09/57/720190957.db2.gz FIFRBYSZFZVISA-GOSISDBHSA-N 1 0 423.525 1.315 20 0 HDADRO Cn1nnc2c1CCN(c1cc(-c3nnco3)ccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718124 720199921 /nfs/dbraw/zinc/19/99/21/720199921.db2.gz XDPIBIOLFDSFKT-QGZVFWFLSA-N 1 0 410.482 1.476 20 0 HDADRO C[C@@H]1CCc2nnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)cc2C1 ZINC001164715234 720203111 /nfs/dbraw/zinc/20/31/11/720203111.db2.gz JXBABTUXYYROAO-OXQOHEQNSA-N 1 0 411.554 1.946 20 0 HDADRO COC(=O)c1cc(F)cnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164810300 720210473 /nfs/dbraw/zinc/21/04/73/720210473.db2.gz BPSXVRHLKXXITE-UHFFFAOYSA-N 1 0 403.458 1.815 20 0 HDADRO CON(C)C(=O)c1ccnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164813278 720240201 /nfs/dbraw/zinc/24/02/01/720240201.db2.gz MIKDWSROVZGWBI-UHFFFAOYSA-N 1 0 414.510 1.522 20 0 HDADRO COC(=O)c1ncnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1OC ZINC001164815151 720248272 /nfs/dbraw/zinc/24/82/72/720248272.db2.gz BHWDHNRHINBVGD-UHFFFAOYSA-N 1 0 416.482 1.079 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3nc[nH]c32)CC1 ZINC001164818883 720290947 /nfs/dbraw/zinc/29/09/47/720290947.db2.gz BHGYNFFUZYBPHW-ZIAGYGMSSA-N 1 0 403.918 1.918 20 0 HDADRO COC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824479 720292021 /nfs/dbraw/zinc/29/20/21/720292021.db2.gz RAOYSRVJAMJKAQ-HZPDHXFCSA-N 1 0 421.929 1.828 20 0 HDADRO COC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827866 720292121 /nfs/dbraw/zinc/29/21/21/720292121.db2.gz YJHGCPRUICZCJO-HZPDHXFCSA-N 1 0 421.929 1.828 20 0 HDADRO CCOC(=O)c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164820972 720302228 /nfs/dbraw/zinc/30/22/28/720302228.db2.gz IMYPFYWPGHLUTI-MSOLQXFVSA-N 1 0 401.511 1.565 20 0 HDADRO COC(=O)c1cc(OC)cnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822017 720308534 /nfs/dbraw/zinc/30/85/34/720308534.db2.gz MHMCIEFKSYDHTL-RTBURBONSA-N 1 0 416.522 1.788 20 0 HDADRO 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ZINC001164829818 720324421 /nfs/dbraw/zinc/32/44/21/720324421.db2.gz NYGWRMIMQOKVND-UONOGXRCSA-N 1 0 406.918 1.140 20 0 HDADRO CC(C)c1nc(N(C)C)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164833660 720325367 /nfs/dbraw/zinc/32/53/67/720325367.db2.gz XJFRBBWNGSTYNU-ROUUACIJSA-N 1 0 415.586 1.973 20 0 HDADRO CN(C)C(=O)c1cncc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164827919 720342279 /nfs/dbraw/zinc/34/22/79/720342279.db2.gz NDBVCPVFXDEJPU-ZWKOTPCHSA-N 1 0 400.527 1.090 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(NC(N)=S)cn2)CC1 ZINC001164830028 720347959 /nfs/dbraw/zinc/34/79/59/720347959.db2.gz VBNRSTQNZPTSIJ-DLBZAZTESA-N 1 0 402.568 1.649 20 0 HDADRO Cc1nc(-n2cncn2)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164822234 720349373 /nfs/dbraw/zinc/34/93/73/720349373.db2.gz COZRRKPIXMRQEL-QZTJIDSGSA-N 1 0 410.526 1.277 20 0 HDADRO Cn1cnc2c1nc(N1CC[C@H]3[C@@H]1CC[N@@H+]3Cc1cccnc1)nc2N1CCOCC1 ZINC001164727855 720360446 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ZINC001164787852 721453398 /nfs/dbraw/zinc/45/33/98/721453398.db2.gz QYAPGKLVFHAZTC-GOSISDBHSA-N 1 0 418.538 1.997 20 0 HDADRO CNC(=O)c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)nn1 ZINC001164791790 721469135 /nfs/dbraw/zinc/46/91/35/721469135.db2.gz ZFBAYMZNEBRIFE-SFHVURJKSA-N 1 0 417.554 1.570 20 0 HDADRO Cc1cc(Cl)nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)c1C(N)=O ZINC001164795512 721508590 /nfs/dbraw/zinc/50/85/90/721508590.db2.gz KMTGLVLPTABSAQ-UHFFFAOYSA-N 1 0 403.918 1.106 20 0 HDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(C(=O)N4CCCC4)ccn2)CC3)CC1 ZINC001164797190 721516636 /nfs/dbraw/zinc/51/66/36/721516636.db2.gz IDZHVZHXWHWJNM-UHFFFAOYSA-N 1 0 409.538 1.282 20 0 HDADRO COC(=O)c1ccc2cc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)ncc2c1 ZINC001164796775 721518224 /nfs/dbraw/zinc/51/82/24/721518224.db2.gz CHQHLLGUOOQQEL-UHFFFAOYSA-N 1 0 420.517 1.986 20 0 HDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(C(N)=O)cc4ccccc42)CC3)CC1 ZINC001164795326 721519907 /nfs/dbraw/zinc/51/99/07/721519907.db2.gz 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COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)n1C ZINC001164926602 721876581 /nfs/dbraw/zinc/87/65/81/721876581.db2.gz SAPJJYZOETWQGQ-KGLIPLIRSA-N 1 0 406.918 1.623 20 0 HDADRO C[C@@H]1C(=O)NCCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165039188 721883027 /nfs/dbraw/zinc/88/30/27/721883027.db2.gz YGDWKJSLVBKQSZ-CABCVRRESA-N 1 0 403.527 1.205 20 0 HDADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1 ZINC001164934892 721890504 /nfs/dbraw/zinc/89/05/04/721890504.db2.gz TWHVJLBRAHIGKX-ZIAGYGMSSA-N 1 0 422.929 1.898 20 0 HDADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@H]21 ZINC001164943538 721938533 /nfs/dbraw/zinc/93/85/33/721938533.db2.gz PLJPILBZGVWFEI-SJORKVTESA-N 1 0 404.902 1.470 20 0 HDADRO O=S(=O)(c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1)N1CCOCC1 ZINC001165049514 721975420 /nfs/dbraw/zinc/97/54/20/721975420.db2.gz PNXBMYQAIIEREC-SFHVURJKSA-N 1 0 408.568 1.947 20 0 HDADRO COc1nc(N2CCn3ccnc3C2)nc(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 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/nfs/dbraw/zinc/10/20/79/722102079.db2.gz XYUPVCGRKIBSCU-NVXWUHKLSA-N 1 0 401.898 1.956 20 0 HDADRO NC(=O)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1Cl ZINC001164983417 722103151 /nfs/dbraw/zinc/10/31/51/722103151.db2.gz QAKOZIZJNWPUOO-YJBOKZPZSA-N 1 0 401.898 1.956 20 0 HDADRO NC(=O)c1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164980828 722103310 /nfs/dbraw/zinc/10/33/10/722103310.db2.gz KOJJHSXZYBTEBN-DOTOQJQBSA-N 1 0 401.898 1.956 20 0 HDADRO COC(=O)c1cc(OC)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978204 722109182 /nfs/dbraw/zinc/10/91/82/722109182.db2.gz NUNHYSQRMVVIOL-YLJYHZDGSA-N 1 0 412.490 1.999 20 0 HDADRO CCOC(=O)Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979157 722124639 /nfs/dbraw/zinc/12/46/39/722124639.db2.gz PHDIBMFPQHVEEI-UXHICEINSA-N 1 0 411.506 1.705 20 0 HDADRO COC(=O)c1ncnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1OC ZINC001164973150 722158347 /nfs/dbraw/zinc/15/83/47/722158347.db2.gz 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CC[NH+](CC)CC(=O)N1CCN(CC(=O)N(C)Cc2ccc(SC)cc2)CC1 ZINC000509081910 1073485539 /nfs/dbraw/zinc/48/55/39/1073485539.db2.gz IPBYRBBVDRJEDK-UHFFFAOYSA-N 1 0 406.596 1.853 20 0 HDADRO C[NH+](C)CC1CCC(NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000429084251 1073533615 /nfs/dbraw/zinc/53/36/15/1073533615.db2.gz ZJFOUVWJRPLUJO-UHFFFAOYSA-N 1 0 415.538 1.178 20 0 HDADRO CC(C)NS(=O)(=O)CCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000509105970 1073537905 /nfs/dbraw/zinc/53/79/05/1073537905.db2.gz HICCSVGKMCCKDH-QGZVFWFLSA-N 1 0 421.485 1.885 20 0 HDADRO O=C(N[C@H](CCCO)c1ccccc1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000509109804 1073548477 /nfs/dbraw/zinc/54/84/77/1073548477.db2.gz DRSBARFYJVARFN-UYAOXDASSA-N 1 0 403.523 1.187 20 0 HDADRO CCN1CCN(C(=O)c2ccc(NC(=O)CCN3CC[NH+](CC)CC3)cc2)CC1 ZINC000673650363 1073549691 /nfs/dbraw/zinc/54/96/91/1073549691.db2.gz OSHAPPQVOWZOTF-UHFFFAOYSA-N 1 0 401.555 1.430 20 0 HDADRO Cc1ccc(C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1S(N)(=O)=O ZINC000673655286 1073584598 /nfs/dbraw/zinc/58/45/98/1073584598.db2.gz KIGURUHZGJGNOA-IRXDYDNUSA-N 1 0 408.568 1.273 20 0 HDADRO O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000429106118 1073589532 /nfs/dbraw/zinc/58/95/32/1073589532.db2.gz XRBGTIZWPITDSA-AEFFLSMTSA-N 1 0 412.542 1.657 20 0 HDADRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)CC1=O ZINC000673657129 1073590116 /nfs/dbraw/zinc/59/01/16/1073590116.db2.gz SVXSJRSUXHJUCE-MOPGFXCFSA-N 1 0 407.518 1.527 20 0 HDADRO CN1C(=O)C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)[C@H]1c1ccc(Cl)cc1 ZINC000509119427 1073596985 /nfs/dbraw/zinc/59/69/85/1073596985.db2.gz CHMQWGPIKNHNKE-XYJFISCASA-N 1 0 421.929 1.251 20 0 HDADRO CCC1(CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000509122534 1073605308 /nfs/dbraw/zinc/60/53/08/1073605308.db2.gz DICKJXUEVLUCNL-IBGZPJMESA-N 1 0 423.579 1.792 20 0 HDADRO CN1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCCN3Cc3ccccn3)CC2)CC1 ZINC000673665398 1073618015 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QKQBDRXIQZIBCH-UHFFFAOYSA-N 1 0 401.529 1.539 20 0 HDADRO CN(C(=O)NCCCN1CCCS1(=O)=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673705160 1073645711 /nfs/dbraw/zinc/64/57/11/1073645711.db2.gz NAQIGBWTMHOHHQ-LJQANCHMSA-N 1 0 408.568 1.718 20 0 HDADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cnn(CC(=O)NC4CCCCC4)c3)C2)CC1 ZINC000673741145 1073674311 /nfs/dbraw/zinc/67/43/11/1073674311.db2.gz RTPUTTATONVQAZ-LJQANCHMSA-N 1 0 416.570 1.230 20 0 HDADRO O=C(NC[C@@H]1CS(=O)(=O)CCO1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000509129238 1073680007 /nfs/dbraw/zinc/68/00/07/1073680007.db2.gz VPIZZQKLIDJMQL-QGZVFWFLSA-N 1 0 415.943 1.417 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000673757544 1073691797 /nfs/dbraw/zinc/69/17/97/1073691797.db2.gz CEAYZEYIHKHCIK-QGZVFWFLSA-N 1 0 417.531 1.836 20 0 HDADRO C[C@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H]1OCCc2sccc21 ZINC000429127320 1073704941 /nfs/dbraw/zinc/70/49/41/1073704941.db2.gz LKCOFHXCLPQJLG-RBZFPXEDSA-N 1 0 403.504 1.521 20 0 HDADRO CN(C(=O)c1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000429129296 1073710782 /nfs/dbraw/zinc/71/07/82/1073710782.db2.gz DQRGMRKPFLELCF-HXUWFJFHSA-N 1 0 418.538 1.906 20 0 HDADRO C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@H]1OCCc2sccc21 ZINC000429133015 1073736756 /nfs/dbraw/zinc/73/67/56/1073736756.db2.gz NSVZUSMIXPWPEE-AUUYWEPGSA-N 1 0 403.504 1.918 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000501241319 1073766664 /nfs/dbraw/zinc/76/66/64/1073766664.db2.gz CLVDAKGMRGHNCC-GOSISDBHSA-N 1 0 410.584 1.293 20 0 HDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000673817279 1073772296 /nfs/dbraw/zinc/77/22/96/1073772296.db2.gz RDIHRACWGBWNTO-PMACEKPBSA-N 1 0 402.514 1.731 20 0 HDADRO C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)c2)CC1 ZINC000057055254 1073786118 /nfs/dbraw/zinc/78/61/18/1073786118.db2.gz AHUAXGMDIUYIIT-IBGZPJMESA-N 1 0 407.518 1.816 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000429151154 1073789496 /nfs/dbraw/zinc/78/94/96/1073789496.db2.gz QKDOWQHGRYXVQS-KRWDZBQOSA-N 1 0 411.572 1.125 20 0 HDADRO C[C@H]1C[C@H](NC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[N@@H+]1Cc1ccccc1 ZINC000466541963 1073799289 /nfs/dbraw/zinc/79/92/89/1073799289.db2.gz SSZGIYJEKYGUOR-YOEHRIQHSA-N 1 0 422.489 1.417 20 0 HDADRO O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000673833700 1073801665 /nfs/dbraw/zinc/80/16/65/1073801665.db2.gz NLSJFYSXGYDIST-KRWDZBQOSA-N 1 0 404.902 1.707 20 0 HDADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@H]2CCCN2c2ncccn2)cc1 ZINC000673839353 1073803239 /nfs/dbraw/zinc/80/32/39/1073803239.db2.gz ZXGSROZFRNWHDN-LJQANCHMSA-N 1 0 408.506 1.910 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000673839862 1073805306 /nfs/dbraw/zinc/80/53/06/1073805306.db2.gz HDODZXYCFAVNQN-SFTDATJTSA-N 1 0 404.530 1.313 20 0 HDADRO CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673841346 1073805471 /nfs/dbraw/zinc/80/54/71/1073805471.db2.gz XGZWXQHEWUVBPK-INIZCTEOSA-N 1 0 407.584 1.767 20 0 HDADRO Cc1c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc(Br)cc1S(N)(=O)=O ZINC000673837045 1073812070 /nfs/dbraw/zinc/81/20/70/1073812070.db2.gz CSSPHHNGPXTNSG-ZDUSSCGKSA-N 1 0 416.341 1.619 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCCN3c3ncccn3)c2)C1 ZINC000673837995 1073812746 /nfs/dbraw/zinc/81/27/46/1073812746.db2.gz QNLWEMLSRKMMAG-PMACEKPBSA-N 1 0 422.533 1.459 20 0 HDADRO CON(C)S(=O)(=O)c1cccc(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c1 ZINC001168745690 1073815569 /nfs/dbraw/zinc/81/55/69/1073815569.db2.gz YMBGAUATUVWUGA-SFHVURJKSA-N 1 0 421.494 1.664 20 0 HDADRO CN(C)c1nc(CNC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)cs1 ZINC000673850610 1073816464 /nfs/dbraw/zinc/81/64/64/1073816464.db2.gz KYAJCBLQALUBHK-UHFFFAOYSA-N 1 0 402.568 1.956 20 0 HDADRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H](CC(N)=O)C1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000543492395 1073821849 /nfs/dbraw/zinc/82/18/49/1073821849.db2.gz IVDAKMXAEDGBAR-ZQIUZPCESA-N 1 0 405.495 1.284 20 0 HDADRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000673855181 1073823028 /nfs/dbraw/zinc/82/30/28/1073823028.db2.gz IOFNXPRDYXQRRD-UHFFFAOYSA-N 1 0 402.539 1.499 20 0 HDADRO CCOc1cc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)nc2nc(C(F)(F)F)nn21 ZINC000543492725 1073823680 /nfs/dbraw/zinc/82/36/80/1073823680.db2.gz AXXSVBHNUFRCOH-GFCCVEGCSA-N 1 0 416.404 1.302 20 0 HDADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCc2csc(-c3ccco3)n2)CC1 ZINC000673856995 1073825157 /nfs/dbraw/zinc/82/51/57/1073825157.db2.gz FQEKISYXXFBTGT-UHFFFAOYSA-N 1 0 406.508 1.325 20 0 HDADRO COc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1NS(C)(=O)=O ZINC000673859736 1073826647 /nfs/dbraw/zinc/82/66/47/1073826647.db2.gz KHNGGLWRJKWJBX-UHFFFAOYSA-N 1 0 405.480 1.816 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cn1 ZINC000673868110 1073832919 /nfs/dbraw/zinc/83/29/19/1073832919.db2.gz XKRZQNZZMMHACN-UHFFFAOYSA-N 1 0 414.466 1.163 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)cn1 ZINC000673869415 1073834248 /nfs/dbraw/zinc/83/42/48/1073834248.db2.gz PYBGBGMUXAKWRR-LJQANCHMSA-N 1 0 420.945 1.981 20 0 HDADRO NC(=O)C[C@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C1CCCCC1 ZINC000543494720 1073836338 /nfs/dbraw/zinc/83/63/38/1073836338.db2.gz PUDMCZZNJLNVSF-HNNXBMFYSA-N 1 0 405.890 1.668 20 0 HDADRO CC(C)(CO)[NH+]1CCN(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000673896498 1073866376 /nfs/dbraw/zinc/86/63/76/1073866376.db2.gz VFHJBKBDXANKHK-UHFFFAOYSA-N 1 0 403.445 1.632 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cc3c(cc2Br)OCO3)C1=O ZINC000673929991 1073902928 /nfs/dbraw/zinc/90/29/28/1073902928.db2.gz DONHCNJMCIRZIY-PIGZYNQJSA-N 1 0 410.268 1.988 20 0 HDADRO COc1cc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc(Br)c1O ZINC000673930025 1073903008 /nfs/dbraw/zinc/90/30/08/1073903008.db2.gz DXKJGGQQTOZDNE-DIFFPNOSSA-N 1 0 412.284 1.973 20 0 HDADRO COc1cc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc(Br)c1O ZINC000673930026 1073903514 /nfs/dbraw/zinc/90/35/14/1073903514.db2.gz DXKJGGQQTOZDNE-GTNSWQLSSA-N 1 0 412.284 1.973 20 0 HDADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1 ZINC000673932064 1073905772 /nfs/dbraw/zinc/90/57/72/1073905772.db2.gz OQUQKZMJAIIPOV-GOSISDBHSA-N 1 0 405.476 1.246 20 0 HDADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@H]1CCCOC1 ZINC000543506724 1073910139 /nfs/dbraw/zinc/91/01/39/1073910139.db2.gz FXRHXKYGAVPTAC-STQMWFEESA-N 1 0 403.932 1.934 20 0 HDADRO CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000429171583 1073925629 /nfs/dbraw/zinc/92/56/29/1073925629.db2.gz OEDMNFZXHXRBQX-KNQAVFIVSA-N 1 0 407.530 1.998 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000429174479 1073942774 /nfs/dbraw/zinc/94/27/74/1073942774.db2.gz YRZQOMXVKKWQMT-IAGOWNOFSA-N 1 0 403.593 1.115 20 0 HDADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cnn1C ZINC000543516348 1073954476 /nfs/dbraw/zinc/95/44/76/1073954476.db2.gz GFNOFRZWQDESSE-CQSZACIVSA-N 1 0 421.523 1.039 20 0 HDADRO CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000670440946 1073963907 /nfs/dbraw/zinc/96/39/07/1073963907.db2.gz NAKXQUOLGSSRPW-PCCBWWKXSA-N 1 0 409.534 1.795 20 0 HDADRO CN(c1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1)S(C)(=O)=O ZINC000673977165 1073965389 /nfs/dbraw/zinc/96/53/89/1073965389.db2.gz MMOGSPMPXLWNTJ-QGZVFWFLSA-N 1 0 400.570 1.319 20 0 HDADRO O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000543520537 1073984330 /nfs/dbraw/zinc/98/43/30/1073984330.db2.gz KMAOBZCHGQYBDE-INIZCTEOSA-N 1 0 420.535 1.199 20 0 HDADRO O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670443647 1073988738 /nfs/dbraw/zinc/98/87/38/1073988738.db2.gz FGMMETAEDIZRNO-QGZVFWFLSA-N 1 0 413.515 1.207 20 0 HDADRO CN1CCN([C@@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccccc2)CC1 ZINC000670443957 1073990213 /nfs/dbraw/zinc/99/02/13/1073990213.db2.gz YJCJXTPOICXKBO-FGZHOGPDSA-N 1 0 400.567 1.688 20 0 HDADRO O=C(Nc1ccccc1CN1CCNC1=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000543522024 1073992290 /nfs/dbraw/zinc/99/22/90/1073992290.db2.gz QYKAWRMTEUITIM-SFHVURJKSA-N 1 0 413.522 1.627 20 0 HDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N1CCCc2ccc(F)cc21 ZINC000543527478 1074007318 /nfs/dbraw/zinc/00/73/18/1074007318.db2.gz DVEQEPMZXFDHCT-HXUWFJFHSA-N 1 0 411.477 1.988 20 0 HDADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466584163 1074031308 /nfs/dbraw/zinc/03/13/08/1074031308.db2.gz HHCBJDGDLXNCHJ-JKSUJKDBSA-N 1 0 411.428 1.699 20 0 HDADRO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 ZINC000543535037 1074036577 /nfs/dbraw/zinc/03/65/77/1074036577.db2.gz RGZVLLGWPJUXLX-UHFFFAOYSA-N 1 0 422.551 1.138 20 0 HDADRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000543535677 1074039158 /nfs/dbraw/zinc/03/91/58/1074039158.db2.gz ALIGAEXXHLFSMN-ZWKOTPCHSA-N 1 0 417.554 1.916 20 0 HDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000466597672 1074060185 /nfs/dbraw/zinc/06/01/85/1074060185.db2.gz OYSNDKGBZVAZDG-ANULTFPQSA-N 1 0 414.550 1.896 20 0 HDADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC(=O)N(C4CC4)C3)cc2)C[C@@H](C)O1 ZINC000429198242 1074060999 /nfs/dbraw/zinc/06/09/99/1074060999.db2.gz RBGQUOMXFPKXBU-MDZRGWNJSA-N 1 0 400.523 1.858 20 0 HDADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000429200249 1074071574 /nfs/dbraw/zinc/07/15/74/1074071574.db2.gz QLFGLSIBWHQPMY-OAQYLSRUSA-N 1 0 407.478 1.763 20 0 HDADRO COc1ccc(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000674023882 1074081335 /nfs/dbraw/zinc/08/13/35/1074081335.db2.gz MJQJVWLZFHXDHE-ZDUSSCGKSA-N 1 0 410.540 1.988 20 0 HDADRO C[C@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)[C@@H]1COc2ccccc21 ZINC000543555488 1074082650 /nfs/dbraw/zinc/08/26/50/1074082650.db2.gz TYVHXJLTFZZQJF-DWRORGKVSA-N 1 0 422.547 1.335 20 0 HDADRO 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1074484887 /nfs/dbraw/zinc/48/48/87/1074484887.db2.gz NKMWETGZPRCODO-UHFFFAOYSA-N 1 0 405.568 1.693 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1=O ZINC000674614662 1074485257 /nfs/dbraw/zinc/48/52/57/1074485257.db2.gz FCXBXNOGVDDZDI-FOIQADDNSA-N 1 0 423.583 1.368 20 0 HDADRO CN(CCN1CCCS1(=O)=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000674637154 1074490955 /nfs/dbraw/zinc/49/09/55/1074490955.db2.gz NJQJHSGQIVRCCX-INIZCTEOSA-N 1 0 402.948 1.620 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccs2)C(=O)N1c1cnn(C)c1 ZINC000674636951 1074491341 /nfs/dbraw/zinc/49/13/41/1074491341.db2.gz WAGSAOXTWDJALE-WMLDXEAASA-N 1 0 404.540 1.749 20 0 HDADRO CCn1nc2c(cc1=O)CN(C(=O)NCC1([NH+]3CCC(OC)CC3)CCCC1)CC2 ZINC000674626983 1074492799 /nfs/dbraw/zinc/49/27/99/1074492799.db2.gz ZOZUGZOOVJMKDU-UHFFFAOYSA-N 1 0 417.554 1.755 20 0 HDADRO CC[C@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)Oc1ccccc1C ZINC000674631315 1074494398 /nfs/dbraw/zinc/49/43/98/1074494398.db2.gz 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1.927 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CCN(c2cccs2)CC1 ZINC000674783765 1074564374 /nfs/dbraw/zinc/56/43/74/1074564374.db2.gz PXWZDSOAICVQBH-GOSISDBHSA-N 1 0 407.584 1.423 20 0 HDADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@@](C)(OC)C(=O)OC(C)(C)C)CC1 ZINC001128822490 1074569767 /nfs/dbraw/zinc/56/97/67/1074569767.db2.gz OZPBJUIYZROODZ-HXUWFJFHSA-N 1 0 402.532 1.319 20 0 HDADRO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[N@@H+](C)C1(CO)CCC1 ZINC000429241390 1074592136 /nfs/dbraw/zinc/59/21/36/1074592136.db2.gz WEBWOOCEHZOSPF-UHFFFAOYSA-N 1 0 409.552 1.955 20 0 HDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NC(C)(C)c3cn(-c4ccccc4)nn3)C2)CC1 ZINC000674872438 1074593297 /nfs/dbraw/zinc/59/32/97/1074593297.db2.gz OWFWBALDOQRQLG-KRWDZBQOSA-N 1 0 411.554 1.970 20 0 HDADRO CCCCN(C(=O)C[N@@H+]1CCCC[C@@H]1CCO)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000674872132 1074593691 /nfs/dbraw/zinc/59/36/91/1074593691.db2.gz ULUYARXIAOAJCD-OAHLLOKOSA-N 1 0 409.531 1.311 20 0 HDADRO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000674892283 1074609110 /nfs/dbraw/zinc/60/91/10/1074609110.db2.gz BEBOHRGHJGKMGM-ZACQAIPSSA-N 1 0 408.449 1.311 20 0 HDADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)cn2)CC1 ZINC000674916499 1074613501 /nfs/dbraw/zinc/61/35/01/1074613501.db2.gz PLEJUPXKNZSGMR-RBUKOAKNSA-N 1 0 403.527 1.313 20 0 HDADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000674918478 1074620482 /nfs/dbraw/zinc/62/04/82/1074620482.db2.gz SPLUZFALMFWSMX-NHCUHLMSSA-N 1 0 402.539 1.788 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000674922487 1074623096 /nfs/dbraw/zinc/62/30/96/1074623096.db2.gz NIVZBVRACBAPCK-OALUTQOASA-N 1 0 404.511 1.067 20 0 HDADRO O=C(NCc1cc2c(cc1OC(F)F)OCO2)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000674989117 1074662702 /nfs/dbraw/zinc/66/27/02/1074662702.db2.gz IAPGBLDLTXSQOL-KGLIPLIRSA-N 1 0 413.421 1.757 20 0 HDADRO CNc1nnc(CC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000546798199 1074667797 /nfs/dbraw/zinc/66/77/97/1074667797.db2.gz GSKLAEGYIUFHEY-UHFFFAOYSA-N 1 0 402.568 1.837 20 0 HDADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)Nc2cnn(CCO)c2)CC1 ZINC000674994892 1074670349 /nfs/dbraw/zinc/67/03/49/1074670349.db2.gz XMZZGYIMRQASKT-UHFFFAOYSA-N 1 0 420.901 1.248 20 0 HDADRO COC1CC[NH+](CCNC(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000674996952 1074674082 /nfs/dbraw/zinc/67/40/82/1074674082.db2.gz NTBOBOOGMISVDI-LJQANCHMSA-N 1 0 402.539 1.630 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000477003933 1074684032 /nfs/dbraw/zinc/68/40/32/1074684032.db2.gz CVIRWFWUBMNXNR-MRXNPFEDSA-N 1 0 403.527 1.414 20 0 HDADRO COc1ccc(S(=O)(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1NC(C)=O ZINC000675017514 1074692713 /nfs/dbraw/zinc/69/27/13/1074692713.db2.gz ZMNDBDPXPFNSRN-UHFFFAOYSA-N 1 0 413.540 1.775 20 0 HDADRO COC(=O)C1CC[NH+](CCCNc2nn3cc(-c4cccnc4)nc3s2)CC1 ZINC000580114676 1074694598 /nfs/dbraw/zinc/69/45/98/1074694598.db2.gz DEWKBHQAMUIJKF-UHFFFAOYSA-N 1 0 400.508 2.540 20 0 HDADRO CC[NH+](CC)CCOCCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000543611738 1074695780 /nfs/dbraw/zinc/69/57/80/1074695780.db2.gz QITCBEIFTCVYOO-INIZCTEOSA-N 1 0 405.495 1.285 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CCN2C1=O ZINC000675083147 1074699615 /nfs/dbraw/zinc/69/96/15/1074699615.db2.gz DNFQYTBEJXHVRL-HZPDHXFCSA-N 1 0 403.483 1.485 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCc3ccc(C[NH+](CC)CC)cc3)CCN2C1=O ZINC000675085335 1074701391 /nfs/dbraw/zinc/70/13/91/1074701391.db2.gz SJFOISVCQATPLO-GOSISDBHSA-N 1 0 401.511 1.706 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](C3CCCCC3)C2)CC1 ZINC000675087588 1074703006 /nfs/dbraw/zinc/70/30/06/1074703006.db2.gz ANJOTEMAULSWKR-HXUWFJFHSA-N 1 0 409.571 1.800 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000675088764 1074711398 /nfs/dbraw/zinc/71/13/98/1074711398.db2.gz NEEXHQHAAULLDU-SFHVURJKSA-N 1 0 405.543 1.262 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccnn2C)C(C)C)CC1 ZINC000675088779 1074711671 /nfs/dbraw/zinc/71/16/71/1074711671.db2.gz RQGHJCILBHUMTJ-SFHVURJKSA-N 1 0 407.559 1.282 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CCN2C1=O ZINC000675089457 1074712631 /nfs/dbraw/zinc/71/26/31/1074712631.db2.gz AIJFRFCPTCZSFS-OAHLLOKOSA-N 1 0 409.556 1.026 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)nn1C1CCCCC1 ZINC000571035467 1074714909 /nfs/dbraw/zinc/71/49/09/1074714909.db2.gz REFMIAPWHGOYBD-UHFFFAOYSA-N 1 0 417.554 2.206 20 0 HDADRO COCCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000675112714 1074717691 /nfs/dbraw/zinc/71/76/91/1074717691.db2.gz SLOZODRAYHMGDI-YLJYHZDGSA-N 1 0 402.539 1.834 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CCN2C1=O ZINC000675108144 1074723775 /nfs/dbraw/zinc/72/37/75/1074723775.db2.gz MSDAIWOWBFUMQF-UHOSZYNNSA-N 1 0 413.522 1.717 20 0 HDADRO Cc1c(C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000675134247 1074727685 /nfs/dbraw/zinc/72/76/85/1074727685.db2.gz DYTXDFINRSKKDB-MSOLQXFVSA-N 1 0 410.522 1.728 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccccc3OCC[NH+](CC)CC)CCN2C1=O ZINC000675137930 1074728885 /nfs/dbraw/zinc/72/88/85/1074728885.db2.gz LVWUXCMPRMADTL-KRWDZBQOSA-N 1 0 417.510 1.907 20 0 HDADRO Cc1nn(C)c2ncc(NC(=O)C(=O)N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cc12 ZINC000675126849 1074731691 /nfs/dbraw/zinc/73/16/91/1074731691.db2.gz PJETUEDZXFILGB-KBXCAEBGSA-N 1 0 406.490 1.994 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)C[N@@H+]1Cc1ccccc1 ZINC000675126697 1074731732 /nfs/dbraw/zinc/73/17/32/1074731732.db2.gz IUGUTIGFVFCGRL-HNAYVOBHSA-N 1 0 406.486 1.690 20 0 HDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000675127994 1074732355 /nfs/dbraw/zinc/73/23/55/1074732355.db2.gz QURGRCLRRLJOGS-CALCHBBNSA-N 1 0 418.538 1.443 20 0 HDADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1=O ZINC000675127680 1074733329 /nfs/dbraw/zinc/73/33/29/1074733329.db2.gz NMHCPYQANDVCDD-IAGOWNOFSA-N 1 0 416.522 1.153 20 0 HDADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1=O ZINC000675128787 1074734493 /nfs/dbraw/zinc/73/44/93/1074734493.db2.gz LYFOOMRWDLNFHP-QGZVFWFLSA-N 1 0 414.506 1.004 20 0 HDADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)C2=O)cc1 ZINC000675152875 1074738293 /nfs/dbraw/zinc/73/82/93/1074738293.db2.gz UTFYLKHWIDWMKB-LJQANCHMSA-N 1 0 402.539 1.258 20 0 HDADRO C[C@H](CNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)[N@@H+]1CCCC[C@H]1C ZINC000543615341 1074738532 /nfs/dbraw/zinc/73/85/32/1074738532.db2.gz YMVJEKNXKABUBJ-IAGOWNOFSA-N 1 0 402.543 1.854 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000477035004 1074740872 /nfs/dbraw/zinc/74/08/72/1074740872.db2.gz QLEJNKOVFPBAAU-KGLIPLIRSA-N 1 0 403.449 1.912 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000477035006 1074741092 /nfs/dbraw/zinc/74/10/92/1074741092.db2.gz QLEJNKOVFPBAAU-ZIAGYGMSSA-N 1 0 403.449 1.912 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000675159058 1074747736 /nfs/dbraw/zinc/74/77/36/1074747736.db2.gz BVAKOBCBKWKBJB-OAHLLOKOSA-N 1 0 411.572 1.999 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000675160728 1074748394 /nfs/dbraw/zinc/74/83/94/1074748394.db2.gz BLDQCJSBUHFKLZ-QGZVFWFLSA-N 1 0 423.583 1.619 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC000477037985 1074753909 /nfs/dbraw/zinc/75/39/09/1074753909.db2.gz YOJCJJHSRYFDRT-QUCCMNQESA-N 1 0 404.555 1.331 20 0 HDADRO Cc1cc(Br)ncc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000766096425 1074754324 /nfs/dbraw/zinc/75/43/24/1074754324.db2.gz SYAOCCJRENBZAB-CQSZACIVSA-N 1 0 410.316 1.923 20 0 HDADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2=O)cc1 ZINC000675183007 1074754719 /nfs/dbraw/zinc/75/47/19/1074754719.db2.gz AVFPFJMNLRJNLP-WOJBJXKFSA-N 1 0 412.534 1.299 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000477038236 1074754880 /nfs/dbraw/zinc/75/48/80/1074754880.db2.gz ZUIJQCDNKSSDDX-GOEBONIOSA-N 1 0 408.930 1.798 20 0 HDADRO CN(CCCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000766096073 1074754932 /nfs/dbraw/zinc/75/49/32/1074754932.db2.gz GDOQJRUAHIAENQ-WMZOPIPTSA-N 1 0 418.563 1.790 20 0 HDADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1(C)C ZINC000670496683 1074755085 /nfs/dbraw/zinc/75/50/85/1074755085.db2.gz XAHOQKVVDPKZNN-UHFFFAOYSA-N 1 0 415.365 1.794 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)nn1-c1ccc(C)cc1 ZINC000539477574 1074755816 /nfs/dbraw/zinc/75/58/16/1074755816.db2.gz JMHXEZTVNALHEN-IBGZPJMESA-N 1 0 413.522 1.637 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000675199292 1074755995 /nfs/dbraw/zinc/75/59/95/1074755995.db2.gz IKGRSNLORGWPAP-KRWDZBQOSA-N 1 0 402.495 1.757 20 0 HDADRO CCO[C@@H](C)c1noc(CN2CCN(C(=O)N[C@@H](CC)C[NH+]3CCCC3)CC2)n1 ZINC000675200517 1074756005 /nfs/dbraw/zinc/75/60/05/1074756005.db2.gz UUCAEXNCOZLFRH-IRXDYDNUSA-N 1 0 408.547 1.869 20 0 HDADRO O=C(Nc1ccn(Cc2ccccc2)n1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000675208407 1074757725 /nfs/dbraw/zinc/75/77/25/1074757725.db2.gz VEWVCULEWZQMJR-IBGZPJMESA-N 1 0 411.506 1.583 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000477054554 1074758637 /nfs/dbraw/zinc/75/86/37/1074758637.db2.gz FUMVSNWMFPUQSF-VQIMIIECSA-N 1 0 408.518 1.162 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNC(C)(C)c2cc(C(F)(F)F)on2)C1 ZINC000429244262 1074763431 /nfs/dbraw/zinc/76/34/31/1074763431.db2.gz JQEWCYBCUGPMII-ZDUSSCGKSA-N 1 0 406.449 1.991 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000477058034 1074764519 /nfs/dbraw/zinc/76/45/19/1074764519.db2.gz PRTJCOITNYOIGF-SJORKVTESA-N 1 0 420.554 1.953 20 0 HDADRO CC(C)(C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)NS(C)(=O)=O ZINC000675239429 1074769714 /nfs/dbraw/zinc/76/97/14/1074769714.db2.gz MBWOKEYCSAMMGT-UHFFFAOYSA-N 1 0 419.975 1.468 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000477060394 1074770429 /nfs/dbraw/zinc/77/04/29/1074770429.db2.gz DHDJOPWKVDDEGQ-OAHLLOKOSA-N 1 0 421.517 1.785 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3C(=O)N[C@](C)(c4ccc(F)cc4)C3=O)CC[C@H]21 ZINC000766100340 1074770496 /nfs/dbraw/zinc/77/04/96/1074770496.db2.gz ZXQIXSUTIUZWLG-SOIKWTOOSA-N 1 0 402.470 1.535 20 0 HDADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC(CC[NH2+][C@H]2CCN(C3CCC3)C2=O)CC1 ZINC001034568625 1074771491 /nfs/dbraw/zinc/77/14/91/1074771491.db2.gz LQEKCSMIHFVWFK-BCRJPVCJSA-N 1 0 401.551 1.782 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000477062971 1074773536 /nfs/dbraw/zinc/77/35/36/1074773536.db2.gz YZFSMCQPEHBNGY-YJBOKZPZSA-N 1 0 404.511 1.267 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000477070241 1074779381 /nfs/dbraw/zinc/77/93/81/1074779381.db2.gz RVOZEKWDANSUIO-RBUKOAKNSA-N 1 0 403.571 1.160 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000477074764 1074779546 /nfs/dbraw/zinc/77/95/46/1074779546.db2.gz YDIZIGIDWPIJEG-RTBURBONSA-N 1 0 403.571 1.160 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000477074755 1074779602 /nfs/dbraw/zinc/77/96/02/1074779602.db2.gz YDIZIGIDWPIJEG-MOPGFXCFSA-N 1 0 403.571 1.160 20 0 HDADRO O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000675290387 1074782442 /nfs/dbraw/zinc/78/24/42/1074782442.db2.gz MEYYLIKXVNMAQA-RBUKOAKNSA-N 1 0 416.497 1.130 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000477080466 1074786555 /nfs/dbraw/zinc/78/65/55/1074786555.db2.gz IEZKYGFVKFCAKS-HKUYNNGSSA-N 1 0 402.539 1.183 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(Br)cc1OC ZINC000477087398 1074790503 /nfs/dbraw/zinc/79/05/03/1074790503.db2.gz XAYVMKWFYNWWPL-GFCCVEGCSA-N 1 0 400.317 1.920 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000477091044 1074791247 /nfs/dbraw/zinc/79/12/47/1074791247.db2.gz BFZGAWIYIMTVLO-LSDHHAIUSA-N 1 0 412.481 1.829 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000477092728 1074791314 /nfs/dbraw/zinc/79/13/14/1074791314.db2.gz CSKZOFFIIKCUOY-APWZRJJASA-N 1 0 424.973 1.676 20 0 HDADRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000524480250 1074797102 /nfs/dbraw/zinc/79/71/02/1074797102.db2.gz UGSHSEKTGAHKRO-LJQANCHMSA-N 1 0 404.474 1.987 20 0 HDADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C[NH+]1CCCC1 ZINC000675317795 1074797712 /nfs/dbraw/zinc/79/77/12/1074797712.db2.gz DENMSZRGAGCIQF-KRWDZBQOSA-N 1 0 420.941 1.800 20 0 HDADRO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000675317764 1074797791 /nfs/dbraw/zinc/79/77/91/1074797791.db2.gz BAFHFANKJPBFAB-VKJFTORMSA-N 1 0 420.941 1.798 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000477101790 1074800631 /nfs/dbraw/zinc/80/06/31/1074800631.db2.gz ROSRHWVJVCFLGH-ZYSHUDEJSA-N 1 0 424.973 1.674 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000477103248 1074801856 /nfs/dbraw/zinc/80/18/56/1074801856.db2.gz VDSNQLKFRCENGB-CVEARBPZSA-N 1 0 410.509 1.892 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000477107404 1074804813 /nfs/dbraw/zinc/80/48/13/1074804813.db2.gz MKNAHTZBOUTLFU-CVEARBPZSA-N 1 0 406.527 1.245 20 0 HDADRO CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)C2=O ZINC000489988559 1074810400 /nfs/dbraw/zinc/81/04/00/1074810400.db2.gz TYMVCWIXUVGAIT-UHFFFAOYSA-N 1 0 416.526 1.979 20 0 HDADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccn(CCN2CCOCC2)n1 ZINC000438315813 1074811069 /nfs/dbraw/zinc/81/10/69/1074811069.db2.gz TZSQXIHJNAKQCN-UHFFFAOYSA-N 1 0 412.538 2.133 20 0 HDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)OCc3ccccc3)CC[C@H]21 ZINC000766111586 1074818137 /nfs/dbraw/zinc/81/81/37/1074818137.db2.gz XTQDYRSUZNWYJL-OKZBNKHCSA-N 1 0 402.495 1.100 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC1 ZINC000675372667 1075092826 /nfs/dbraw/zinc/09/28/26/1075092826.db2.gz JQHOMKYMISRADB-UHFFFAOYSA-N 1 0 400.520 1.518 20 0 HDADRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000514415624 1075095770 /nfs/dbraw/zinc/09/57/70/1075095770.db2.gz QHUDQZJWGKVHEU-UHFFFAOYSA-N 1 0 420.558 1.718 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000429338685 1075104375 /nfs/dbraw/zinc/10/43/75/1075104375.db2.gz YONUSIJVOQXZBM-CYBMUJFWSA-N 1 0 415.416 1.379 20 0 HDADRO CCCN(C(=O)C(=O)Nc1ccc(OC)nn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000570063291 1075115452 /nfs/dbraw/zinc/11/54/52/1075115452.db2.gz DYOBDBWBRZGTJV-SFHVURJKSA-N 1 0 411.506 2.327 20 0 HDADRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000550864974 1075118861 /nfs/dbraw/zinc/11/88/61/1075118861.db2.gz OGLREYZUAQQECU-UHFFFAOYSA-N 1 0 422.327 2.421 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675403209 1075127199 /nfs/dbraw/zinc/12/71/99/1075127199.db2.gz CARYXPFQRNGJNC-CXAGYDPISA-N 1 0 424.904 1.691 20 0 HDADRO C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000485761896 1075127573 /nfs/dbraw/zinc/12/75/73/1075127573.db2.gz LWEUHMMVSMKUTQ-APWZRJJASA-N 1 0 408.568 1.035 20 0 HDADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1CC[NH+](C)CC1 ZINC000675403590 1075128477 /nfs/dbraw/zinc/12/84/77/1075128477.db2.gz PZTMLOCAMACMDS-PXAZEXFGSA-N 1 0 424.904 1.547 20 0 HDADRO CCOc1ccc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1Br ZINC000470627516 1075131334 /nfs/dbraw/zinc/13/13/34/1075131334.db2.gz PRNIAOZKDLSPQJ-CYBMUJFWSA-N 1 0 420.373 1.762 20 0 HDADRO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)n1 ZINC000675405487 1075131374 /nfs/dbraw/zinc/13/13/74/1075131374.db2.gz QBGJUEINEILHJJ-QRWLVFNGSA-N 1 0 401.536 1.984 20 0 HDADRO COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)CN2CCOCC2)c1 ZINC000766122257 1075132633 /nfs/dbraw/zinc/13/26/33/1075132633.db2.gz SLOZELQLFBIELP-FYYLOGMGSA-N 1 0 400.519 1.924 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC2(CC1)OCc1ccccc12 ZINC000675423058 1075139216 /nfs/dbraw/zinc/13/92/16/1075139216.db2.gz HCKUPBYPCXOHFD-HXUWFJFHSA-N 1 0 414.550 1.624 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000509245372 1075143388 /nfs/dbraw/zinc/14/33/88/1075143388.db2.gz CMAREAJOBKEGIK-UHFFFAOYSA-N 1 0 403.570 1.480 20 0 HDADRO COCCCn1ccc(NC(=O)C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)n1 ZINC000444503984 1075147643 /nfs/dbraw/zinc/14/76/43/1075147643.db2.gz XXDYPFSPAPRLII-UHFFFAOYSA-N 1 0 414.441 1.808 20 0 HDADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CCc3c[nH]nc3C2)[NH+]2CCCCC2)cc1 ZINC000670527175 1075151474 /nfs/dbraw/zinc/15/14/74/1075151474.db2.gz KBHGARIOFYNKSB-HXUWFJFHSA-N 1 0 411.506 1.646 20 0 HDADRO O=C(Nc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000463992217 1075157331 /nfs/dbraw/zinc/15/73/31/1075157331.db2.gz FMYDBZVSORHISS-LJQANCHMSA-N 1 0 405.458 2.016 20 0 HDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000429349556 1075162757 /nfs/dbraw/zinc/16/27/57/1075162757.db2.gz NJBODGPAXZOQOJ-KRWDZBQOSA-N 1 0 405.543 1.367 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000447418100 1075163594 /nfs/dbraw/zinc/16/35/94/1075163594.db2.gz LVKUIXAWZOIALF-UHFFFAOYSA-N 1 0 419.485 2.050 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000467844634 1075164194 /nfs/dbraw/zinc/16/41/94/1075164194.db2.gz SQLLCQLBOQWRHZ-QGZVFWFLSA-N 1 0 411.849 2.459 20 0 HDADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000144182283 1075164576 /nfs/dbraw/zinc/16/45/76/1075164576.db2.gz JRCNHHWKHMBLIW-DLBZAZTESA-N 1 0 412.534 1.916 20 0 HDADRO COCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000144203132 1075165311 /nfs/dbraw/zinc/16/53/11/1075165311.db2.gz WEAWFCIWGYFMHA-STQMWFEESA-N 1 0 413.316 1.646 20 0 HDADRO COCC[NH+](CCOC)C1CCN(C(=O)Nc2cc(OC(F)F)n(C)n2)CC1 ZINC000482360126 1075166582 /nfs/dbraw/zinc/16/65/82/1075166582.db2.gz HWCIVRBAKAUTFF-UHFFFAOYSA-N 1 0 405.446 1.613 20 0 HDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(-n3cnnn3)c2)c2ccccc2O1 ZINC000675472530 1075166852 /nfs/dbraw/zinc/16/68/52/1075166852.db2.gz PBZQMCYHYNCISX-OAHLLOKOSA-N 1 0 400.464 1.180 20 0 HDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)c2ccccc2O1 ZINC000675471499 1075167664 /nfs/dbraw/zinc/16/76/64/1075167664.db2.gz HXBKJICSRAADKA-OAHLLOKOSA-N 1 0 400.464 1.180 20 0 HDADRO COC[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000675477436 1075168297 /nfs/dbraw/zinc/16/82/97/1075168297.db2.gz WNEVHRAHDVVFOH-GOSISDBHSA-N 1 0 411.930 1.713 20 0 HDADRO COC(=O)c1coc(CNCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000543630649 1075168365 /nfs/dbraw/zinc/16/83/65/1075168365.db2.gz ZZAKUHPKSJKHNU-MRXNPFEDSA-N 1 0 408.476 1.813 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2ccnn2)C[N@@H+]1Cc1ccccc1 ZINC000466681946 1075169583 /nfs/dbraw/zinc/16/95/83/1075169583.db2.gz VGZTZVDZLPMRMU-FUHWJXTLSA-N 1 0 404.474 1.985 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2ccnn2)C[N@@H+]1Cc1ccccc1 ZINC000466681947 1075169632 /nfs/dbraw/zinc/16/96/32/1075169632.db2.gz VGZTZVDZLPMRMU-SJLPKXTDSA-N 1 0 404.474 1.985 20 0 HDADRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766143671 1075169614 /nfs/dbraw/zinc/16/96/14/1075169614.db2.gz BBTRGUAVAWRXCY-OLZOCXBDSA-N 1 0 400.526 1.558 20 0 HDADRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cn(-c2ccccc2)nn1 ZINC000675486251 1075173023 /nfs/dbraw/zinc/17/30/23/1075173023.db2.gz XMJWOYJPSOUOSA-MSOLQXFVSA-N 1 0 413.526 1.034 20 0 HDADRO O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000448481024 1075175423 /nfs/dbraw/zinc/17/54/23/1075175423.db2.gz HOYBQWAVYLFVKA-OAHLLOKOSA-N 1 0 409.412 2.337 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c2ccccc2O1 ZINC000675492640 1075176996 /nfs/dbraw/zinc/17/69/96/1075176996.db2.gz YPCRCMSSDUUWLX-QGZVFWFLSA-N 1 0 415.515 1.978 20 0 HDADRO COCCNS(=O)(=O)c1cccc(CNc2cc(C(C)C)[nH+]c(N(C)C)n2)c1 ZINC000462857102 1075177499 /nfs/dbraw/zinc/17/74/99/1075177499.db2.gz RJDKFVPLNIXZCB-UHFFFAOYSA-N 1 0 407.540 2.203 20 0 HDADRO Cc1c(C(=O)NC[C@@H](CO)Cc2ccco2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000675515799 1075181517 /nfs/dbraw/zinc/18/15/17/1075181517.db2.gz ADNBCAGIYWSDSN-INIZCTEOSA-N 1 0 409.490 1.738 20 0 HDADRO O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000468457734 1075194649 /nfs/dbraw/zinc/19/46/49/1075194649.db2.gz KVCNUJBHNUCJLV-FQEVSTJZSA-N 1 0 418.501 1.850 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000675538058 1075195145 /nfs/dbraw/zinc/19/51/45/1075195145.db2.gz AXYVCTBNJIARPC-IBGZPJMESA-N 1 0 421.563 1.844 20 0 HDADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000466684763 1075195337 /nfs/dbraw/zinc/19/53/37/1075195337.db2.gz UPYVGAFUBPWEOO-BEFAXECRSA-N 1 0 419.489 1.688 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000675539135 1075195602 /nfs/dbraw/zinc/19/56/02/1075195602.db2.gz WXDKTKBLUQHAMX-HOTGVXAUSA-N 1 0 413.565 1.271 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC1 ZINC000483985829 1075198574 /nfs/dbraw/zinc/19/85/74/1075198574.db2.gz LUVLAESGVGVOAT-UHFFFAOYSA-N 1 0 408.450 1.661 20 0 HDADRO CC[NH+](CC)CCCC1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)nn2)CC1 ZINC000551728248 1075199253 /nfs/dbraw/zinc/19/92/53/1075199253.db2.gz MHCNFWCXOSBVAY-UHFFFAOYSA-N 1 0 405.543 2.563 20 0 HDADRO O=C(NCCn1c(=O)[nH]c2ccccc21)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000429357862 1075199707 /nfs/dbraw/zinc/19/97/07/1075199707.db2.gz XNHPUQXHABXWCC-JOCHJYFZSA-N 1 0 409.490 1.678 20 0 HDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675558546 1075202963 /nfs/dbraw/zinc/20/29/63/1075202963.db2.gz LGFQNTQARSKTFJ-ROUUACIJSA-N 1 0 407.559 1.019 20 0 HDADRO CC(C)C[C@H](NC(=O)NC1CCN(c2nccs2)CC1)C(=O)NCC[NH+](C)C ZINC000466686430 1075205808 /nfs/dbraw/zinc/20/58/08/1075205808.db2.gz NAUIAJLTSDEPRO-INIZCTEOSA-N 1 0 410.588 1.504 20 0 HDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000675574461 1075209196 /nfs/dbraw/zinc/20/91/96/1075209196.db2.gz SVLAMHBUJKIXAA-SJORKVTESA-N 1 0 411.568 1.770 20 0 HDADRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)CC(C)C ZINC000524086204 1075209696 /nfs/dbraw/zinc/20/96/96/1075209696.db2.gz LSEIRICFKOKDEX-QGZVFWFLSA-N 1 0 408.547 1.620 20 0 HDADRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)c1ccco1 ZINC000448511473 1075210201 /nfs/dbraw/zinc/21/02/01/1075210201.db2.gz HLQFFBFAKXFIRD-GFCCVEGCSA-N 1 0 401.389 2.176 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000675580742 1075212005 /nfs/dbraw/zinc/21/20/05/1075212005.db2.gz SDWQBMNZJONDDX-VQTJNVASSA-N 1 0 405.587 1.589 20 0 HDADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)[NH+](C)C)c1 ZINC000675585285 1075213670 /nfs/dbraw/zinc/21/36/70/1075213670.db2.gz VATMZSLWFAFVAW-RBUKOAKNSA-N 1 0 415.494 1.428 20 0 HDADRO CC[N@H+](CCNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)CCC(F)(F)F ZINC000491542250 1075214060 /nfs/dbraw/zinc/21/40/60/1075214060.db2.gz BZMKFRDDVFXVCL-UHFFFAOYSA-N 1 0 422.473 1.638 20 0 HDADRO COCCn1ccc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)n1 ZINC000555004326 1075214113 /nfs/dbraw/zinc/21/41/13/1075214113.db2.gz DGFJPFAYHNLQJA-HNNXBMFYSA-N 1 0 404.490 2.303 20 0 HDADRO COCCn1ccc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)n1 ZINC000555004327 1075214423 /nfs/dbraw/zinc/21/44/23/1075214423.db2.gz DGFJPFAYHNLQJA-OAHLLOKOSA-N 1 0 404.490 2.303 20 0 HDADRO COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000551180467 1075218258 /nfs/dbraw/zinc/21/82/58/1075218258.db2.gz ZYGVYNSBBPUMPP-CYBMUJFWSA-N 1 0 423.901 2.089 20 0 HDADRO Cc1cc(NC(=O)[C@H](C)SCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)no1 ZINC000490778016 1075223517 /nfs/dbraw/zinc/22/35/17/1075223517.db2.gz WTHMQBBUVSGFMK-UAGQMJEPSA-N 1 0 424.567 1.927 20 0 HDADRO CN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675606909 1075223553 /nfs/dbraw/zinc/22/35/53/1075223553.db2.gz BCKIMYOMYRTXDM-KRWDZBQOSA-N 1 0 403.504 1.446 20 0 HDADRO CN(C)C(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1Cl ZINC000675608332 1075224281 /nfs/dbraw/zinc/22/42/81/1075224281.db2.gz WVHQXBOSYKQKRD-UHFFFAOYSA-N 1 0 406.874 1.377 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cn1 ZINC000675607706 1075225033 /nfs/dbraw/zinc/22/50/33/1075225033.db2.gz NRXDKBURFBHLEM-GOSISDBHSA-N 1 0 401.467 1.580 20 0 HDADRO C[C@H](c1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1)N1CCOCC1 ZINC000675608778 1075225852 /nfs/dbraw/zinc/22/58/52/1075225852.db2.gz WDKGSHFDYBETJD-MRXNPFEDSA-N 1 0 414.510 1.415 20 0 HDADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 ZINC000675588007 1075226721 /nfs/dbraw/zinc/22/67/21/1075226721.db2.gz OLMDMRKGMYVCOP-LJQANCHMSA-N 1 0 415.494 1.257 20 0 HDADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)c1ccco1 ZINC000675591244 1075229127 /nfs/dbraw/zinc/22/91/27/1075229127.db2.gz XCIZGNQQZWGOFH-SJORKVTESA-N 1 0 403.483 1.793 20 0 HDADRO CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000047999945 1075231387 /nfs/dbraw/zinc/23/13/87/1075231387.db2.gz INIFNUFAHWVYMX-UHFFFAOYSA-N 1 0 415.563 2.283 20 0 HDADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675594181 1075231519 /nfs/dbraw/zinc/23/15/19/1075231519.db2.gz QPSLCSFSZZIQSY-PMACEKPBSA-N 1 0 411.506 1.781 20 0 HDADRO O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000675596454 1075233963 /nfs/dbraw/zinc/23/39/63/1075233963.db2.gz RCFNVZBEODWYPC-IBGZPJMESA-N 1 0 403.527 1.914 20 0 HDADRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)Nc3ccn(CC(F)F)n3)c2)CC1 ZINC000558534024 1075235027 /nfs/dbraw/zinc/23/50/27/1075235027.db2.gz UEBNWQIKHHPCSM-UHFFFAOYSA-N 1 0 406.437 1.867 20 0 HDADRO O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000533459944 1075235272 /nfs/dbraw/zinc/23/52/72/1075235272.db2.gz NYFHZWWISRBYCI-HKUYNNGSSA-N 1 0 408.506 1.740 20 0 HDADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000675598181 1075235644 /nfs/dbraw/zinc/23/56/44/1075235644.db2.gz RYEJQEKVWRBKIX-LJQANCHMSA-N 1 0 405.543 1.875 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[N@@H+]1Cc1ccccc1 ZINC000466691329 1075244271 /nfs/dbraw/zinc/24/42/71/1075244271.db2.gz OACSWSZIQCCFQY-WMLDXEAASA-N 1 0 420.469 1.630 20 0 HDADRO CO[C@@H](CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000675659752 1075250787 /nfs/dbraw/zinc/25/07/87/1075250787.db2.gz YCKOJTQEPPVFEA-SFHVURJKSA-N 1 0 408.930 1.977 20 0 HDADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000509359760 1075250846 /nfs/dbraw/zinc/25/08/46/1075250846.db2.gz YRNABDHGYXICAV-CYBMUJFWSA-N 1 0 407.458 1.880 20 0 HDADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC(F)(F)C3)c2)CC1 ZINC000675704575 1075257560 /nfs/dbraw/zinc/25/75/60/1075257560.db2.gz NMFWAXGJTDMUFP-MRXNPFEDSA-N 1 0 408.449 1.626 20 0 HDADRO COc1cc(OC)cc(OCCNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000675715347 1075259825 /nfs/dbraw/zinc/25/98/25/1075259825.db2.gz GVFRMNACFXXNPI-QGZVFWFLSA-N 1 0 406.527 1.504 20 0 HDADRO O=S(=O)(NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc2c1OCO2 ZINC000509364401 1075262712 /nfs/dbraw/zinc/26/27/12/1075262712.db2.gz JBEKOHBIIYYFGF-UHFFFAOYSA-N 1 0 404.492 1.301 20 0 HDADRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)c1NS(C)(=O)=O ZINC000675757809 1075265229 /nfs/dbraw/zinc/26/52/29/1075265229.db2.gz SCCJMSQVATXLLI-XJKSGUPXSA-N 1 0 415.581 1.744 20 0 HDADRO CCCCn1c(N)c(N(C)CCC[NH+]2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000509367371 1075269405 /nfs/dbraw/zinc/26/94/05/1075269405.db2.gz SSXBBGLQHCFFAN-UHFFFAOYSA-N 1 0 414.554 1.980 20 0 HDADRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1cccc(-n2cnnn2)c1 ZINC000675794803 1075270143 /nfs/dbraw/zinc/27/01/43/1075270143.db2.gz HDPMQJDHJOYUCQ-KRWDZBQOSA-N 1 0 406.494 1.447 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2c3c(nn2C)CCCC3)CC1 ZINC000675794453 1075270152 /nfs/dbraw/zinc/27/01/52/1075270152.db2.gz OHIZNOBFANSMSK-UHFFFAOYSA-N 1 0 403.571 1.999 20 0 HDADRO CS(=O)(=O)N1CCC([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000675803775 1075273427 /nfs/dbraw/zinc/27/34/27/1075273427.db2.gz OKGAKVGHNQBLDO-UHFFFAOYSA-N 1 0 418.357 1.583 20 0 HDADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000429378878 1075273500 /nfs/dbraw/zinc/27/35/00/1075273500.db2.gz NBVMSHASDDZWMF-GOSISDBHSA-N 1 0 407.580 1.442 20 0 HDADRO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000428268888 1075274062 /nfs/dbraw/zinc/27/40/62/1075274062.db2.gz SEWQEVCUCSKAJS-UHFFFAOYSA-N 1 0 419.551 2.074 20 0 HDADRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000675817633 1075276420 /nfs/dbraw/zinc/27/64/20/1075276420.db2.gz VIQDDHKRCLVCBJ-INIZCTEOSA-N 1 0 420.348 1.742 20 0 HDADRO COc1cccc([C@@H]2CN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CCO2)c1 ZINC000675827280 1075279307 /nfs/dbraw/zinc/27/93/07/1075279307.db2.gz ZBKCMKXFNUAOHL-FPOVZHCZSA-N 1 0 418.538 1.185 20 0 HDADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3C3CC3)cc2)CC1 ZINC001129105480 1075283932 /nfs/dbraw/zinc/28/39/32/1075283932.db2.gz RXGCEYNUVGVJTN-FQEVSTJZSA-N 1 0 405.564 1.866 20 0 HDADRO CC[C@H]1CN(C(=O)Nc2cccc3c2CCN3C(=O)COC)CC[N@@H+]1C[C@H](C)O ZINC000543651514 1075284120 /nfs/dbraw/zinc/28/41/20/1075284120.db2.gz IPVDKTYZGDNRJA-HOTGVXAUSA-N 1 0 404.511 1.531 20 0 HDADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](CC(C)C)C3)CC2)cc1 ZINC000466704416 1075284217 /nfs/dbraw/zinc/28/42/17/1075284217.db2.gz CHCNGAXFRSBNOO-GOSISDBHSA-N 1 0 423.579 1.896 20 0 HDADRO CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@@H]1n1cccn1 ZINC001129088986 1075284836 /nfs/dbraw/zinc/28/48/36/1075284836.db2.gz KHSYWVVJKMAARV-SPOLIRPYSA-N 1 0 406.527 1.376 20 0 HDADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429381984 1075287098 /nfs/dbraw/zinc/28/70/98/1075287098.db2.gz OCFGMPCLVAOIBM-SJORKVTESA-N 1 0 422.595 1.187 20 0 HDADRO O=C(C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2)NC1CCCC1 ZINC001035207675 1075287373 /nfs/dbraw/zinc/28/73/73/1075287373.db2.gz BALMRCVIQIAIPA-IYWGDAJJSA-N 1 0 401.551 1.783 20 0 HDADRO Cc1ccc(NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)c(OCC[NH+](C)C)c1 ZINC000555248921 1075295946 /nfs/dbraw/zinc/29/59/46/1075295946.db2.gz QBPCVRHKHKJXTO-UHFFFAOYSA-N 1 0 413.400 2.271 20 0 HDADRO Cc1cc(C)c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(Cl)c1 ZINC000675937436 1075298593 /nfs/dbraw/zinc/29/85/93/1075298593.db2.gz STWFKLWAPHIHSE-INIZCTEOSA-N 1 0 406.914 1.660 20 0 HDADRO Cc1ccc(NCCCNC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nc1 ZINC000548116944 1075302628 /nfs/dbraw/zinc/30/26/28/1075302628.db2.gz NZTWZAFETOHBSH-BGYRXZFFSA-N 1 0 402.587 2.392 20 0 HDADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)CCO2 ZINC000675989011 1075315544 /nfs/dbraw/zinc/31/55/44/1075315544.db2.gz FRMHIVBQAVGVJJ-GZRFBZBPSA-N 1 0 409.914 1.465 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000675989025 1075315623 /nfs/dbraw/zinc/31/56/23/1075315623.db2.gz FTDDVZBJPWIESG-OALUTQOASA-N 1 0 422.957 1.382 20 0 HDADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(NC(=O)CC3CCCC3)CC1)C2=O ZINC000731352875 1075316201 /nfs/dbraw/zinc/31/62/01/1075316201.db2.gz 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C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@]2(O)CCCc3ccccc32)c1 ZINC000731408309 1075333389 /nfs/dbraw/zinc/33/33/89/1075333389.db2.gz XJWWNIHMNZFVEF-HSZRJFAPSA-N 1 0 411.502 1.906 20 0 HDADRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1 ZINC000676069443 1075342189 /nfs/dbraw/zinc/34/21/89/1075342189.db2.gz OSCJMVJZKUDMAO-DLBZAZTESA-N 1 0 417.597 1.408 20 0 HDADRO CCOc1ccc(NC(=O)CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000676092706 1075351691 /nfs/dbraw/zinc/35/16/91/1075351691.db2.gz PKDPLNQOVJDICW-UHFFFAOYSA-N 1 0 408.418 1.359 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000676092397 1075352359 /nfs/dbraw/zinc/35/23/59/1075352359.db2.gz GKBMYYDTEBLSFR-UHFFFAOYSA-N 1 0 424.486 1.688 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cn1 ZINC000676092040 1075352831 /nfs/dbraw/zinc/35/28/31/1075352831.db2.gz UBVFTRFJCWHMER-UHFFFAOYSA-N 1 0 407.478 1.575 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)cn1 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CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000804090883 1075385274 /nfs/dbraw/zinc/38/52/74/1075385274.db2.gz VAOLUFGLDJLDMS-OKZBNKHCSA-N 1 0 422.570 1.883 20 0 HDADRO CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CCC[N@H+](C[C@@H]3CCCO3)CC1)C2=O ZINC000676113479 1075386734 /nfs/dbraw/zinc/38/67/34/1075386734.db2.gz SFTJFGWEROMSIA-HTAPYJJXSA-N 1 0 420.554 1.591 20 0 HDADRO O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000676131691 1075391125 /nfs/dbraw/zinc/39/11/25/1075391125.db2.gz UBFQYYWWJCTNAB-GHTZIAJQSA-N 1 0 408.502 1.977 20 0 HDADRO O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000676131693 1075391201 /nfs/dbraw/zinc/39/12/01/1075391201.db2.gz UBFQYYWWJCTNAB-RXVVDRJESA-N 1 0 408.502 1.977 20 0 HDADRO CN(C)C(=O)CNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1Cl ZINC000676135100 1075393943 /nfs/dbraw/zinc/39/39/43/1075393943.db2.gz UZVOZOWFAXEXSD-HNNXBMFYSA-N 1 0 421.929 1.764 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804094181 1075394623 /nfs/dbraw/zinc/39/46/23/1075394623.db2.gz SPQBHROVLXQXTK-ZACQAIPSSA-N 1 0 410.559 1.929 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1 ZINC000676123938 1075395102 /nfs/dbraw/zinc/39/51/02/1075395102.db2.gz DJNCWDQSVQSJPQ-PZJWPPBQSA-N 1 0 410.518 1.980 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)n2)cc1 ZINC000441503146 1075395914 /nfs/dbraw/zinc/39/59/14/1075395914.db2.gz SODWIFJEVGZHGX-IEBWSBKVSA-N 1 0 411.506 1.821 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CCCCC3)n2)cc1 ZINC000425941997 1075399224 /nfs/dbraw/zinc/39/92/24/1075399224.db2.gz LDWHUYAEDAXNHO-UHFFFAOYSA-N 1 0 413.522 2.259 20 0 HDADRO O=C(NCc1nnnn1-c1ccccc1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000676151347 1075401533 /nfs/dbraw/zinc/40/15/33/1075401533.db2.gz LFQBCLDYKWNBRQ-ICSRJNTNSA-N 1 0 421.505 1.345 20 0 HDADRO 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C[C@@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)C[C@@H](C)O1 ZINC000676614227 1075616061 /nfs/dbraw/zinc/61/60/61/1075616061.db2.gz BAPJJVYOVDQMHN-CHWSQXEVSA-N 1 0 409.437 1.985 20 0 HDADRO NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)sc1Br ZINC000732085616 1075620433 /nfs/dbraw/zinc/62/04/33/1075620433.db2.gz REMLYDUZXQUUIK-SNVBAGLBSA-N 1 0 422.370 1.858 20 0 HDADRO CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000676633399 1075625162 /nfs/dbraw/zinc/62/51/62/1075625162.db2.gz BODDBDGYARZMGT-CHWSQXEVSA-N 1 0 411.351 1.994 20 0 HDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000732115223 1075628212 /nfs/dbraw/zinc/62/82/12/1075628212.db2.gz ZPTWWALZVYFTQD-UHFFFAOYSA-N 1 0 419.547 1.963 20 0 HDADRO CN(C(=O)CCNS(=O)(=O)c1cccnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732134965 1075632654 /nfs/dbraw/zinc/63/26/54/1075632654.db2.gz CLYGOTMMLUQWBP-UHFFFAOYSA-N 1 0 406.508 1.353 20 0 HDADRO CN1CC[NH+](CC2CCN(C(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)CC2)CC1 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OLVNVBDLUDTTLX-OAQYLSRUSA-N 1 0 413.566 1.854 20 0 HDADRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000485558069 1075671571 /nfs/dbraw/zinc/67/15/71/1075671571.db2.gz XDRMJXYACCEZBW-KRWDZBQOSA-N 1 0 411.554 1.914 20 0 HDADRO C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CN(C)CCO1 ZINC000676740302 1075672126 /nfs/dbraw/zinc/67/21/26/1075672126.db2.gz UAPYBBZMRFMFSU-IHPCNDPISA-N 1 0 416.566 1.239 20 0 HDADRO CN1CCN(C(=O)CC2CC[NH+](CCC(=O)Nc3sccc3C(N)=O)CC2)CC1 ZINC000732203495 1075675692 /nfs/dbraw/zinc/67/56/92/1075675692.db2.gz BFAVHLVUAPAOPO-UHFFFAOYSA-N 1 0 421.567 1.052 20 0 HDADRO CC[C@H]1CN(C(=O)Cc2c(C)nc3nc(N)nn3c2C)CC[N@@H+]1Cc1ccccc1 ZINC000546858397 1075676101 /nfs/dbraw/zinc/67/61/01/1075676101.db2.gz WGVMVTUMVVCAKU-SFHVURJKSA-N 1 0 407.522 1.989 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000732245613 1075679082 /nfs/dbraw/zinc/67/90/82/1075679082.db2.gz BRZPOHUCYBHNLN-BLLLJJGKSA-N 1 0 417.337 1.913 20 0 HDADRO C[C@@H](CNC(=O)NCCNS(=O)(=O)Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000732249561 1075680277 /nfs/dbraw/zinc/68/02/77/1075680277.db2.gz TUGWYSPRAVENBX-SFHVURJKSA-N 1 0 418.563 1.926 20 0 HDADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000732222648 1075680529 /nfs/dbraw/zinc/68/05/29/1075680529.db2.gz IJBYZVZAJJDDOK-UHFFFAOYSA-N 1 0 405.476 1.897 20 0 HDADRO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)C2Cc3ccccc3C2)C1=O ZINC000141213117 1075680822 /nfs/dbraw/zinc/68/08/22/1075680822.db2.gz OVFXIQWFMGFGSA-QHCPKHFHSA-N 1 0 406.486 1.974 20 0 HDADRO CCc1ccccc1Nc1nc(N)nc(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000533308345 1075685438 /nfs/dbraw/zinc/68/54/38/1075685438.db2.gz BAZNCMSPLQPPSC-IBGZPJMESA-N 1 0 424.597 1.782 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000509435890 1075685574 /nfs/dbraw/zinc/68/55/74/1075685574.db2.gz JPAFGNGCWFDXEA-UHFFFAOYSA-N 1 0 424.929 1.807 20 0 HDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 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ZINC000645573864 1075728470 /nfs/dbraw/zinc/72/84/70/1075728470.db2.gz IMHKFXAUQBHXSB-UHFFFAOYSA-N 1 0 423.439 2.103 20 0 HDADRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509258569 1075730941 /nfs/dbraw/zinc/73/09/41/1075730941.db2.gz MXIAWKKWWIJQAT-HZPDHXFCSA-N 1 0 414.597 1.742 20 0 HDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509258567 1075730996 /nfs/dbraw/zinc/73/09/96/1075730996.db2.gz MXIAWKKWWIJQAT-CVEARBPZSA-N 1 0 414.597 1.742 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1 ZINC000538163169 1075732356 /nfs/dbraw/zinc/73/23/56/1075732356.db2.gz GJUMOHYIUNFUGD-NVXWUHKLSA-N 1 0 405.886 1.683 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000538085022 1075732700 /nfs/dbraw/zinc/73/27/00/1075732700.db2.gz HWKCKKICXJYNFF-DOTOQJQBSA-N 1 0 423.876 1.822 20 0 HDADRO Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000556181484 1075732896 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HDADRO O=C(CCC(=O)NC1CC[NH+](C2CCCCC2)CC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429276943 1075786037 /nfs/dbraw/zinc/78/60/37/1075786037.db2.gz NSWQJIZSMHVHMK-UHFFFAOYSA-N 1 0 414.510 2.296 20 0 HDADRO CN(C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732559545 1075786932 /nfs/dbraw/zinc/78/69/32/1075786932.db2.gz NWYDZPYXZBLDHS-CVEARBPZSA-N 1 0 420.476 1.777 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000732569885 1075790566 /nfs/dbraw/zinc/79/05/66/1075790566.db2.gz UOKCMTPSSIMLCH-QGZVFWFLSA-N 1 0 422.533 1.938 20 0 HDADRO CN1CC[NH+](CCCNc2ncnc3cccc(I)c32)CC1 ZINC000546572914 1075791749 /nfs/dbraw/zinc/79/17/49/1075791749.db2.gz RYRGBUYPLYNFPR-UHFFFAOYSA-N 1 0 411.291 2.284 20 0 HDADRO C[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ncn(Cc4ccccc4)n3)cc2)CC1 ZINC000588253906 1075792108 /nfs/dbraw/zinc/79/21/08/1075792108.db2.gz USAXUCLZRACJJC-UHFFFAOYSA-N 1 0 419.533 2.396 20 0 HDADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)Nc3ccn(CC(F)(F)F)n3)c2)CC1 ZINC000569829360 1075792323 /nfs/dbraw/zinc/79/23/23/1075792323.db2.gz IWKZBUMQOKQUHN-UHFFFAOYSA-N 1 0 424.427 1.770 20 0 HDADRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000804237907 1075793179 /nfs/dbraw/zinc/79/31/79/1075793179.db2.gz YVVWOHPZCRHOJZ-BFWZDYSYSA-N 1 0 424.586 1.985 20 0 HDADRO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000595434248 1075796057 /nfs/dbraw/zinc/79/60/57/1075796057.db2.gz MVIKVDMTELDYPY-KRWDZBQOSA-N 1 0 413.522 2.477 20 0 HDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000804239962 1075796115 /nfs/dbraw/zinc/79/61/15/1075796115.db2.gz HEUUDKIVZHPFAL-FOIPXRHGSA-N 1 0 407.511 1.167 20 0 HDADRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)([NH+](C)C)C1 ZINC000468466218 1075798978 /nfs/dbraw/zinc/79/89/78/1075798978.db2.gz HUZAEFGYXKRXJD-HTAPYJJXSA-N 1 0 412.538 2.086 20 0 HDADRO COc1ccc([C@H](CNC(=O)[C@H]2CCCN2S(C)(=O)=O)[NH+]2CCCCC2)cc1 ZINC000041976648 1075800910 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CCOc1nc(Cl)cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164718361 720176420 /nfs/dbraw/zinc/17/64/20/720176420.db2.gz PDJQISILNBEQIM-OAHLLOKOSA-N 1 0 421.933 1.873 20 0 HDADRO Cn1nnc2c1CCN(c1cc(Cl)nc3nc[nH]c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164718212 720180061 /nfs/dbraw/zinc/18/00/61/720180061.db2.gz NOBUQQJZSNNCFR-HNNXBMFYSA-N 1 0 416.917 1.956 20 0 HDADRO COCOc1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164717052 720183985 /nfs/dbraw/zinc/18/39/85/720183985.db2.gz JUZRABMRIJGZFL-GOSISDBHSA-N 1 0 402.499 1.409 20 0 HDADRO CC(=O)Nc1c(C)ccnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716232 720193909 /nfs/dbraw/zinc/19/39/09/720193909.db2.gz PPBGMGLQCHIKPC-SFHVURJKSA-N 1 0 413.526 1.693 20 0 HDADRO CC(C)Oc1nccnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716663 720201420 /nfs/dbraw/zinc/20/14/20/720201420.db2.gz RBPIZAHSEHJETI-QGZVFWFLSA-N 1 0 401.515 1.609 20 0 HDADRO Cn1nnc2c1CCN(c1nccnc1OC1CCC1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718160 720203032 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O=C(Nc1cccc(N2CCCS2(=O)=O)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429101415 1073577789 /nfs/dbraw/zinc/57/77/89/1073577789.db2.gz RULCKZYKZKDVIG-MRXNPFEDSA-N 1 0 408.524 1.413 20 0 HDADRO O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000429106124 1073589694 /nfs/dbraw/zinc/58/96/94/1073589694.db2.gz XRBGTIZWPITDSA-SJLPKXTDSA-N 1 0 412.542 1.657 20 0 HDADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000429105789 1073591337 /nfs/dbraw/zinc/59/13/37/1073591337.db2.gz VVLIBYUUVSVMGN-AZUAARDMSA-N 1 0 400.571 1.908 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673667420 1073619613 /nfs/dbraw/zinc/61/96/13/1073619613.db2.gz XEGZLNMKRCTFDC-QFBILLFUSA-N 1 0 411.506 1.137 20 0 HDADRO CN(C(=O)c1ccccc1CN1CCOCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673668865 1073622364 /nfs/dbraw/zinc/62/23/64/1073622364.db2.gz BKSPWTWVAWTTRC-NRFANRHFSA-N 1 0 400.567 1.759 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1cnn(C)c1 ZINC000673684613 1073639735 /nfs/dbraw/zinc/63/97/35/1073639735.db2.gz BEILJMOPHFZHAS-XLIONFOSSA-N 1 0 410.522 1.242 20 0 HDADRO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCCC[C@H]2CO)c1 ZINC000673701856 1073644846 /nfs/dbraw/zinc/64/48/46/1073644846.db2.gz QYTKTEWSBQZYSG-ZDUSSCGKSA-N 1 0 403.932 1.766 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000766019910 1073650715 /nfs/dbraw/zinc/65/07/15/1073650715.db2.gz NUGIUYJMCOTBHR-IBGZPJMESA-N 1 0 419.501 1.433 20 0 HDADRO CC(C)Cn1c(N)c(C(=O)CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC000673715472 1073654211 /nfs/dbraw/zinc/65/42/11/1073654211.db2.gz WAFSPFLBYHEUSL-KRWDZBQOSA-N 1 0 413.522 1.576 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000673748804 1073673137 /nfs/dbraw/zinc/67/31/37/1073673137.db2.gz BXQWVDWLRMJACH-OAHLLOKOSA-N 1 0 407.474 1.771 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000673750379 1073693560 /nfs/dbraw/zinc/69/35/60/1073693560.db2.gz OASLRGJCTIFZAL-HNNXBMFYSA-N 1 0 424.505 1.418 20 0 HDADRO Cn1cnc(CNC(=O)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)n1 ZINC000509135732 1073700125 /nfs/dbraw/zinc/70/01/25/1073700125.db2.gz GSOQGXALGQIJMV-UHFFFAOYSA-N 1 0 402.499 1.304 20 0 HDADRO CC[NH+]1CCN(CCNC(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 ZINC000509139956 1073704887 /nfs/dbraw/zinc/70/48/87/1073704887.db2.gz DSOICZBEKBPQHU-HXUWFJFHSA-N 1 0 403.502 1.108 20 0 HDADRO C[NH+]1CCN(c2cc(CNC(=O)Nc3cnn(Cc4ccccn4)c3)ccn2)CC1 ZINC000673765184 1073709579 /nfs/dbraw/zinc/70/95/79/1073709579.db2.gz WONYQRCIRZYHCM-UHFFFAOYSA-N 1 0 406.494 1.795 20 0 HDADRO COc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000069344473 1073718248 /nfs/dbraw/zinc/71/82/48/1073718248.db2.gz NZDQZJNEWUILBU-QGZVFWFLSA-N 1 0 405.520 1.978 20 0 HDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673783354 1073721677 /nfs/dbraw/zinc/72/16/77/1073721677.db2.gz SZQRPJDEPVLECZ-KRWDZBQOSA-N 1 0 404.511 1.019 20 0 HDADRO C[C@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@H]1OCCc2sccc21 ZINC000429133268 1073728216 /nfs/dbraw/zinc/72/82/16/1073728216.db2.gz NSVZUSMIXPWPEE-IFXJQAMLSA-N 1 0 403.504 1.918 20 0 HDADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000429136559 1073744996 /nfs/dbraw/zinc/74/49/96/1073744996.db2.gz XKEBCVGLTTVOAJ-JOCHJYFZSA-N 1 0 412.490 1.651 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000501230021 1073765527 /nfs/dbraw/zinc/76/55/27/1073765527.db2.gz UIGSPBAVEHDKJD-CQSZACIVSA-N 1 0 403.570 1.158 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000501231548 1073766050 /nfs/dbraw/zinc/76/60/50/1073766050.db2.gz VEOHBJNVHOFECH-ZDUSSCGKSA-N 1 0 400.545 1.539 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000673824564 1073768203 /nfs/dbraw/zinc/76/82/03/1073768203.db2.gz NBSDSLUUCXTVRW-MRXNPFEDSA-N 1 0 413.540 1.775 20 0 HDADRO CN1CC[N@H+](CCCNC(=O)[C@@H]2CCCN2c2ncccn2)[C@H](c2ccccc2)C1 ZINC000673830807 1073790061 /nfs/dbraw/zinc/79/00/61/1073790061.db2.gz OEPNDWYCZQYMFZ-SFTDATJTSA-N 1 0 408.550 1.940 20 0 HDADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000543490089 1073796907 /nfs/dbraw/zinc/79/69/07/1073796907.db2.gz AIRTYSMOMLEQCM-KBXCAEBGSA-N 1 0 411.930 1.826 20 0 HDADRO COC(=O)c1cccc(CCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000509162960 1073808446 /nfs/dbraw/zinc/80/84/46/1073808446.db2.gz DMIIZYBYNPUSFZ-SFHVURJKSA-N 1 0 404.511 1.258 20 0 HDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccccc1OC(F)(F)F ZINC000466541095 1073813096 /nfs/dbraw/zinc/81/30/96/1073813096.db2.gz QNKDMJPVWCROEP-UHFFFAOYSA-N 1 0 403.401 1.448 20 0 HDADRO CN(C)c1nc(CNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cs1 ZINC000673850468 1073816283 /nfs/dbraw/zinc/81/62/83/1073816283.db2.gz XNYWARQHDYXTNC-UHFFFAOYSA-N 1 0 404.540 1.500 20 0 HDADRO CN1CCN(C(=O)CC2CCN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)CC1 ZINC000673860636 1073827724 /nfs/dbraw/zinc/82/77/24/1073827724.db2.gz GYXLTGBGRKJBEM-UHFFFAOYSA-N 1 0 411.510 1.675 20 0 HDADRO COc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1NS(C)(=O)=O ZINC000673860838 1073829055 /nfs/dbraw/zinc/82/90/55/1073829055.db2.gz YNGIOCUGQVFPFQ-JKSUJKDBSA-N 1 0 412.512 1.130 20 0 HDADRO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673862901 1073831183 /nfs/dbraw/zinc/83/11/83/1073831183.db2.gz TUPRXBLLHJTNLC-MRXNPFEDSA-N 1 0 411.510 1.864 20 0 HDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(OC)cc1OC(F)F ZINC000466544604 1073831208 /nfs/dbraw/zinc/83/12/08/1073831208.db2.gz XOTQGUONNGKFLH-UHFFFAOYSA-N 1 0 415.437 1.159 20 0 HDADRO C[C@@]1(c2ccc(CNC(=O)Nc3cnn(-c4cc[nH+]cc4)c3)cc2)NC(=O)NC1=O ZINC000673864116 1073831816 /nfs/dbraw/zinc/83/18/16/1073831816.db2.gz GLTXTWIAAFBSMG-FQEVSTJZSA-N 1 0 405.418 1.644 20 0 HDADRO CN(C)c1nc(CNC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cs1 ZINC000673853355 1073832432 /nfs/dbraw/zinc/83/24/32/1073832432.db2.gz CCVTXJYOWJFBIS-GOSISDBHSA-N 1 0 402.568 1.997 20 0 HDADRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000673870418 1073835830 /nfs/dbraw/zinc/83/58/30/1073835830.db2.gz OBXGDYFXHBAPKS-UHFFFAOYSA-N 1 0 422.555 1.594 20 0 HDADRO CCO[C@@H](C)c1noc(CN(C)C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)n1 ZINC000673873236 1073839859 /nfs/dbraw/zinc/83/98/59/1073839859.db2.gz ZRGPFURYZFTWFY-LBPRGKRZSA-N 1 0 404.471 1.992 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cn1 ZINC000673866116 1073843776 /nfs/dbraw/zinc/84/37/76/1073843776.db2.gz ULGYPXUGWDMICD-UHFFFAOYSA-N 1 0 423.521 1.845 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 ZINC000673868432 1073846847 /nfs/dbraw/zinc/84/68/47/1073846847.db2.gz YZCXVXNGXMRDTJ-INIZCTEOSA-N 1 0 401.511 1.039 20 0 HDADRO O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000673878775 1073849719 /nfs/dbraw/zinc/84/97/19/1073849719.db2.gz OTISUEMTWOIOBE-PZJWPPBQSA-N 1 0 410.518 1.958 20 0 HDADRO O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)C(=O)NCC2(CO)CC2)cc1 ZINC000673889333 1073861480 /nfs/dbraw/zinc/86/14/80/1073861480.db2.gz PWRCNFHSYDSTCU-UHFFFAOYSA-N 1 0 402.495 1.328 20 0 HDADRO CC(C)(CO)[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000673897099 1073867849 /nfs/dbraw/zinc/86/78/49/1073867849.db2.gz KMNXPVALFIVASA-GOSISDBHSA-N 1 0 403.523 1.510 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000509164511 1073869017 /nfs/dbraw/zinc/86/90/17/1073869017.db2.gz OYQWJLNSQVJVBJ-HOTGVXAUSA-N 1 0 417.597 1.868 20 0 HDADRO O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000429161561 1073872925 /nfs/dbraw/zinc/87/29/25/1073872925.db2.gz JSAZZIDSWSWLEP-UHFFFAOYSA-N 1 0 406.552 1.900 20 0 HDADRO COc1ccccc1C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(C)C ZINC000673912486 1073885022 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Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000674914096 1074612982 /nfs/dbraw/zinc/61/29/82/1074612982.db2.gz XUWAZRMFWJGJLW-VXKWHMMOSA-N 1 0 401.551 1.909 20 0 HDADRO CCC(=O)N1CCC([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000674913968 1074613060 /nfs/dbraw/zinc/61/30/60/1074613060.db2.gz XAEYTPUSFWEKEC-GOSISDBHSA-N 1 0 402.543 1.273 20 0 HDADRO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[NH+]1CCC(OCCCO)CC1 ZINC000674913359 1074619276 /nfs/dbraw/zinc/61/92/76/1074619276.db2.gz OKTBYIIFDZWITH-LJQANCHMSA-N 1 0 419.566 1.387 20 0 HDADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCC(OCCCO)CC3)CC2)C1 ZINC000674912932 1074619453 /nfs/dbraw/zinc/61/94/53/1074619453.db2.gz OWIFLRGSYYJDKT-SFHVURJKSA-N 1 0 409.571 1.347 20 0 HDADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000674985742 1074660060 /nfs/dbraw/zinc/66/00/60/1074660060.db2.gz JGHAUARNCOJGLP-RTWAWAEBSA-N 1 0 403.523 1.733 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](CNC(=O)NCC[NH+]3CCC(OC)CC3)C2)c1 ZINC000674993225 1074668903 /nfs/dbraw/zinc/66/89/03/1074668903.db2.gz TWGPCBFDZGFSQP-QGZVFWFLSA-N 1 0 420.554 1.940 20 0 HDADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000674995374 1074672066 /nfs/dbraw/zinc/67/20/66/1074672066.db2.gz ABYGSGSGTUXWHN-UXHICEINSA-N 1 0 419.522 1.752 20 0 HDADRO CC(C)c1nccn1Cc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000584795102 1074685348 /nfs/dbraw/zinc/68/53/48/1074685348.db2.gz WHJXAMMBEVUGLZ-UHFFFAOYSA-N 1 0 423.521 2.390 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CCN2C1=O ZINC000675083148 1074699482 /nfs/dbraw/zinc/69/94/82/1074699482.db2.gz DNFQYTBEJXHVRL-JKSUJKDBSA-N 1 0 403.483 1.485 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NCc3cccc(C[NH+](CC)CC)c3)CCN2C1=O ZINC000675087224 1074701134 /nfs/dbraw/zinc/70/11/34/1074701134.db2.gz DHTQSPFVFJQPTD-SFHVURJKSA-N 1 0 401.511 1.706 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000675087625 1074702938 /nfs/dbraw/zinc/70/29/38/1074702938.db2.gz SZWJKLNJMXYVDL-DZGCQCFKSA-N 1 0 409.449 1.170 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000477026311 1074704441 /nfs/dbraw/zinc/70/44/41/1074704441.db2.gz GOOWUPFBSPASLC-SFHVURJKSA-N 1 0 404.555 1.576 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccnn2C)C(C)C)CC1 ZINC000675088778 1074711827 /nfs/dbraw/zinc/71/18/27/1074711827.db2.gz RQGHJCILBHUMTJ-GOSISDBHSA-N 1 0 407.559 1.282 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000675088765 1074711891 /nfs/dbraw/zinc/71/18/91/1074711891.db2.gz NGYHHHCSQAEARD-IBGZPJMESA-N 1 0 402.539 1.478 20 0 HDADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccn(CCN2CCOCC2)n1 ZINC000438318288 1074712275 /nfs/dbraw/zinc/71/22/75/1074712275.db2.gz TUKNCBOWSLKGDH-UHFFFAOYSA-N 1 0 418.586 2.526 20 0 HDADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448485425 1074712463 /nfs/dbraw/zinc/71/24/63/1074712463.db2.gz JLZGYHSJNOJGLQ-UHFFFAOYSA-N 1 0 419.473 1.862 20 0 HDADRO O=C(N[C@H]1CCN(c2ncccc2Cl)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675103584 1074719890 /nfs/dbraw/zinc/71/98/90/1074719890.db2.gz XPZGRCWBCXGHSJ-IRXDYDNUSA-N 1 0 422.961 1.019 20 0 HDADRO CN1CCN(C(=O)c2cc(NC(=O)NCCC[NH2+]C3CCCCC3)ccn2)CC1 ZINC000543613616 1074723547 /nfs/dbraw/zinc/72/35/47/1074723547.db2.gz HEGSLFNXTBDJBE-UHFFFAOYSA-N 1 0 402.543 1.903 20 0 HDADRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000484188511 1074724863 /nfs/dbraw/zinc/72/48/63/1074724863.db2.gz LRLGMRKIOLMKLX-UHFFFAOYSA-N 1 0 404.902 1.911 20 0 HDADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448491810 1074725753 /nfs/dbraw/zinc/72/57/53/1074725753.db2.gz WXMDYWYLLVIYPK-UHFFFAOYSA-N 1 0 409.412 1.949 20 0 HDADRO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000556206314 1074730589 /nfs/dbraw/zinc/73/05/89/1074730589.db2.gz KYGNIIIUALRHEE-ZDUSSCGKSA-N 1 0 413.444 1.619 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000675127026 1074731214 /nfs/dbraw/zinc/73/12/14/1074731214.db2.gz YSKALNPUPRTBKE-OXJNMPFZSA-N 1 0 408.502 1.693 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cncn2)C[N@@H+]1Cc1ccccc1 ZINC000675127038 1074731266 /nfs/dbraw/zinc/73/12/66/1074731266.db2.gz YXYSGCCBWJNMSC-SJLPKXTDSA-N 1 0 404.474 1.985 20 0 HDADRO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000560021951 1074731394 /nfs/dbraw/zinc/73/13/94/1074731394.db2.gz MYOBJSNQYIIZLF-GJZGRUSLSA-N 1 0 413.444 1.762 20 0 HDADRO C[C@@H](CCNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)[NH+]1CCCCC1 ZINC000543615423 1074735315 /nfs/dbraw/zinc/73/53/15/1074735315.db2.gz CGNWTQJMOXPEBP-KRWDZBQOSA-N 1 0 402.543 1.855 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000675163306 1074746365 /nfs/dbraw/zinc/74/63/65/1074746365.db2.gz VDGPXBJYGTXNIV-INIZCTEOSA-N 1 0 424.571 1.159 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000675175101 1074749051 /nfs/dbraw/zinc/74/90/51/1074749051.db2.gz BBHSGWJMWYDNTB-HNNXBMFYSA-N 1 0 402.948 1.792 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)CC1 ZINC000675175496 1074749357 /nfs/dbraw/zinc/74/93/57/1074749357.db2.gz KHJSBUPDTWTNAS-UHFFFAOYSA-N 1 0 421.973 1.720 20 0 HDADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2=O)cc1 ZINC000675189507 1074752564 /nfs/dbraw/zinc/75/25/64/1074752564.db2.gz KGCLUGKPMRCFNJ-HSALFYBXSA-N 1 0 412.534 1.155 20 0 HDADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2=O)cc1 ZINC000675183006 1074754607 /nfs/dbraw/zinc/75/46/07/1074754607.db2.gz AVFPFJMNLRJNLP-VQTJNVASSA-N 1 0 412.534 1.299 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000675198747 1074755621 /nfs/dbraw/zinc/75/56/21/1074755621.db2.gz YBOSFZAOEUIBAJ-IBGZPJMESA-N 1 0 407.603 1.979 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000675198857 1074755707 /nfs/dbraw/zinc/75/57/07/1074755707.db2.gz ZIUCHYJGGGBBLS-GOSISDBHSA-N 1 0 419.545 1.757 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000675198663 1074755794 /nfs/dbraw/zinc/75/57/94/1074755794.db2.gz XIJPYARQESBEMU-KRWDZBQOSA-N 1 0 412.531 1.716 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000675194944 1074758983 /nfs/dbraw/zinc/75/89/83/1074758983.db2.gz SGHQYRIIJJNXFC-FPOVZHCZSA-N 1 0 413.566 1.994 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000675194817 1074759427 /nfs/dbraw/zinc/75/94/27/1074759427.db2.gz VTNBBNHUQNFKJA-ZCNNSNEGSA-N 1 0 407.603 1.693 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[N@@H+]1Cc1ccccc1 ZINC000466668072 1074762121 /nfs/dbraw/zinc/76/21/21/1074762121.db2.gz CIMGLACEVYJRSI-WBVHZDCISA-N 1 0 405.462 1.380 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000477058032 1074764155 /nfs/dbraw/zinc/76/41/55/1074764155.db2.gz PRTJCOITNYOIGF-IAGOWNOFSA-N 1 0 420.554 1.953 20 0 HDADRO CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675226687 1074766113 /nfs/dbraw/zinc/76/61/13/1074766113.db2.gz VMCJEDTWWWXJHI-LJQANCHMSA-N 1 0 400.502 1.706 20 0 HDADRO CC1CC[NH+](CCCCNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468703804 1074766949 /nfs/dbraw/zinc/76/69/49/1074766949.db2.gz XXPIHQLNQCMNLC-UHFFFAOYSA-N 1 0 408.568 1.876 20 0 HDADRO O=S1(=O)CC[C@H](C[NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ZINC000675237811 1074768624 /nfs/dbraw/zinc/76/86/24/1074768624.db2.gz KJKMHQOMLRZJHG-MRXNPFEDSA-N 1 0 402.944 1.575 20 0 HDADRO Cc1nn(C)c(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1Cl ZINC001649133334 1074770089 /nfs/dbraw/zinc/77/00/89/1074770089.db2.gz BXXPHMCWXFRKFY-OAHLLOKOSA-N 1 0 405.934 1.767 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000477061526 1074772018 /nfs/dbraw/zinc/77/20/18/1074772018.db2.gz WDBAVKMKPPGXKD-CQSZACIVSA-N 1 0 418.567 1.495 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000509316873 1074773017 /nfs/dbraw/zinc/77/30/17/1074773017.db2.gz ZPWHHZQPUJLBTB-UHFFFAOYSA-N 1 0 406.918 1.683 20 0 HDADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000550800327 1074773952 /nfs/dbraw/zinc/77/39/52/1074773952.db2.gz ZDUXGSVBHZOQLO-UHFFFAOYSA-N 1 0 414.510 1.940 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000477072767 1074779498 /nfs/dbraw/zinc/77/94/98/1074779498.db2.gz VCSHQAUSQSSAII-MRXNPFEDSA-N 1 0 421.538 1.920 20 0 HDADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccn(CCN2CCOCC2)n1 ZINC000561847897 1074781750 /nfs/dbraw/zinc/78/17/50/1074781750.db2.gz UNJVQCLGQVWVKS-FQEVSTJZSA-N 1 0 412.538 2.174 20 0 HDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000675290925 1074782103 /nfs/dbraw/zinc/78/21/03/1074782103.db2.gz FWORZXXYAVHROR-OALUTQOASA-N 1 0 418.513 1.376 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000477079737 1074783391 /nfs/dbraw/zinc/78/33/91/1074783391.db2.gz CQAVDOSRCPYOPG-GOEBONIOSA-N 1 0 410.946 1.890 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000477081321 1074787991 /nfs/dbraw/zinc/78/79/91/1074787991.db2.gz LIHTUWAEFHQNMG-QFBILLFUSA-N 1 0 424.973 1.676 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000477085643 1074789993 /nfs/dbraw/zinc/78/99/93/1074789993.db2.gz TULYFPJMIHSGEI-YESZJQIVSA-N 1 0 405.543 1.158 20 0 HDADRO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2nnnn2CC(F)(F)F)CC1 ZINC000429328050 1074790817 /nfs/dbraw/zinc/79/08/17/1074790817.db2.gz LNLUHSJWDXXHDG-UHFFFAOYSA-N 1 0 417.480 1.440 20 0 HDADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000675297510 1074791255 /nfs/dbraw/zinc/79/12/55/1074791255.db2.gz TYQPZRCEISHKDO-SFHVURJKSA-N 1 0 416.547 1.787 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000477091041 1074791507 /nfs/dbraw/zinc/79/15/07/1074791507.db2.gz BFZGAWIYIMTVLO-CABCVRRESA-N 1 0 412.481 1.829 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000477094986 1074791882 /nfs/dbraw/zinc/79/18/82/1074791882.db2.gz FXTUXDGEZIGFMU-ZDUSSCGKSA-N 1 0 403.449 1.912 20 0 HDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304899 1074793378 /nfs/dbraw/zinc/79/33/78/1074793378.db2.gz HTKZTVGXKVUBFI-WMZOPIPTSA-N 1 0 420.941 1.942 20 0 HDADRO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000675317763 1074797778 /nfs/dbraw/zinc/79/77/78/1074797778.db2.gz BAFHFANKJPBFAB-RVKKMQEKSA-N 1 0 420.941 1.798 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000477103249 1074801677 /nfs/dbraw/zinc/80/16/77/1074801677.db2.gz VDSNQLKFRCENGB-HOTGVXAUSA-N 1 0 410.509 1.892 20 0 HDADRO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766109859 1074817027 /nfs/dbraw/zinc/81/70/27/1074817027.db2.gz PXYZATRRZZUXID-MLGOLLRUSA-N 1 0 418.562 1.858 20 0 HDADRO CC(C)c1ccnc(N2CCN(C(=O)C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)n1 ZINC000670503286 1074817686 /nfs/dbraw/zinc/81/76/86/1074817686.db2.gz FYXLWKYHAVRZKB-FQEVSTJZSA-N 1 0 424.549 1.668 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000477112164 1074817785 /nfs/dbraw/zinc/81/77/85/1074817785.db2.gz ZSVRIOIPFPYFKN-ROUUACIJSA-N 1 0 404.555 1.370 20 0 HDADRO COCCN1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2S1(=O)=O ZINC000766110958 1074819031 /nfs/dbraw/zinc/81/90/31/1074819031.db2.gz VUMXQDDTRKANFA-WBVHZDCISA-N 1 0 421.519 1.034 20 0 HDADRO CS(=O)(=O)Cc1cc(F)ccc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000675372931 1075091577 /nfs/dbraw/zinc/09/15/77/1075091577.db2.gz XCAKMVBETYRSJU-CQSZACIVSA-N 1 0 413.515 1.993 20 0 HDADRO CSc1nc2nc(C)c(CC(=O)NCCCC[NH+]3CCN(C)CC3)c(C)n2n1 ZINC000041349184 1075091641 /nfs/dbraw/zinc/09/16/41/1075091641.db2.gz JPXSGLOHPXCCKQ-UHFFFAOYSA-N 1 0 405.572 1.149 20 0 HDADRO COC(=O)c1ccc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc1OC ZINC000480013234 1075098456 /nfs/dbraw/zinc/09/84/56/1075098456.db2.gz IZUDCSVUQKWACQ-UHFFFAOYSA-N 1 0 400.483 1.681 20 0 HDADRO CN(C)S(=O)(=O)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000509330276 1075115427 /nfs/dbraw/zinc/11/54/27/1075115427.db2.gz FLMQPHHRCFGNQZ-UHFFFAOYSA-N 1 0 419.345 1.386 20 0 HDADRO Cc1cc(C)cc(CCNC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000509243378 1075117086 /nfs/dbraw/zinc/11/70/86/1075117086.db2.gz NMWZVBLCXNWMNZ-IBGZPJMESA-N 1 0 400.567 1.589 20 0 HDADRO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000509331301 1075120895 /nfs/dbraw/zinc/12/08/95/1075120895.db2.gz MBELYLFKUIJBGF-LBPRGKRZSA-N 1 0 419.345 1.386 20 0 HDADRO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)n1 ZINC000675396405 1075123574 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424.611 1.183 20 0 HDADRO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)n1 ZINC000675404523 1075129949 /nfs/dbraw/zinc/12/99/49/1075129949.db2.gz SKOCQBGHCQRCFF-SFHVURJKSA-N 1 0 412.538 1.575 20 0 HDADRO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)n1 ZINC000675404522 1075129988 /nfs/dbraw/zinc/12/99/88/1075129988.db2.gz SKOCQBGHCQRCFF-GOSISDBHSA-N 1 0 412.538 1.575 20 0 HDADRO CCOc1ccc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1Br ZINC000470627517 1075131365 /nfs/dbraw/zinc/13/13/65/1075131365.db2.gz PRNIAOZKDLSPQJ-ZDUSSCGKSA-N 1 0 420.373 1.762 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[N@@H+]1Cc1ccccc1 ZINC000466677123 1075137655 /nfs/dbraw/zinc/13/76/55/1075137655.db2.gz CTKYUXKOLYSEDL-CRAIPNDOSA-N 1 0 421.501 1.595 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)C1 ZINC000675423736 1075139829 /nfs/dbraw/zinc/13/98/29/1075139829.db2.gz NLAISYZNGXNCDQ-WOJBJXKFSA-N 1 0 414.550 1.325 20 0 HDADRO 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ZINC000675826984 1075279343 /nfs/dbraw/zinc/27/93/43/1075279343.db2.gz AUTWWSLALMHCNW-INIZCTEOSA-N 1 0 414.535 1.899 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C[N@@H+]1Cc1ccccc1 ZINC000466701989 1075282266 /nfs/dbraw/zinc/28/22/66/1075282266.db2.gz ANPXNEZZXUGXKS-CRAIPNDOSA-N 1 0 422.485 1.760 20 0 HDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000675853132 1075283627 /nfs/dbraw/zinc/28/36/27/1075283627.db2.gz PQVISHAIHICVPB-ZBFHGGJFSA-N 1 0 402.520 1.623 20 0 HDADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000479067309 1075284406 /nfs/dbraw/zinc/28/44/06/1075284406.db2.gz ANRQCBHTSPCFMP-UHFFFAOYSA-N 1 0 416.349 1.957 20 0 HDADRO COc1cc(C(=O)N2CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)ccc1C ZINC000438698698 1075288653 /nfs/dbraw/zinc/28/86/53/1075288653.db2.gz SVIZYQXEGSZZCI-UHFFFAOYSA-N 1 0 414.510 1.752 20 0 HDADRO CC[C@@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)c1ccccc1OCC(=O)N(C)C ZINC000675884401 1075289182 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STWFKLWAPHIHSE-MRXNPFEDSA-N 1 0 406.914 1.660 20 0 HDADRO CCOC(=O)c1cn(C)nc1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000498189552 1075321139 /nfs/dbraw/zinc/32/11/39/1075321139.db2.gz KWTNKKOREQUZKA-UHFFFAOYSA-N 1 0 415.494 1.875 20 0 HDADRO CC1CCC(N2C[C@@H](C(=O)OCC(=O)NC3CC[NH+](C4CC4)CC3)CC2=O)CC1 ZINC000731392245 1075327094 /nfs/dbraw/zinc/32/70/94/1075327094.db2.gz WIWQZANNQYANNI-WUJZJPHMSA-N 1 0 405.539 1.700 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000676029721 1075329713 /nfs/dbraw/zinc/32/97/13/1075329713.db2.gz VDNPAQLPYOBTFG-QGZVFWFLSA-N 1 0 408.930 1.040 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1c[nH]nc1-c1c(F)cccc1F ZINC000676051236 1075332527 /nfs/dbraw/zinc/33/25/27/1075332527.db2.gz OTTCAXPZAKNHDA-CQSZACIVSA-N 1 0 405.449 1.491 20 0 HDADRO CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000466711844 1075346734 /nfs/dbraw/zinc/34/67/34/1075346734.db2.gz DUHMOYOJQUKMTB-LPHOPBHVSA-N 1 0 424.501 1.529 20 0 HDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000491585037 1075349942 /nfs/dbraw/zinc/34/99/42/1075349942.db2.gz ZPHBLTQROVYYBZ-AWEZNQCLSA-N 1 0 407.902 1.937 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cn1 ZINC000676092550 1075352182 /nfs/dbraw/zinc/35/21/82/1075352182.db2.gz LMQUJCYIEVIDGT-OAHLLOKOSA-N 1 0 402.474 1.165 20 0 HDADRO CCCCN(C)C(=O)C1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676092319 1075352187 /nfs/dbraw/zinc/35/21/87/1075352187.db2.gz CTFCYLGKSYTIAO-UHFFFAOYSA-N 1 0 412.494 1.703 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cc(F)ccc2Br)cn1 ZINC000676093850 1075353666 /nfs/dbraw/zinc/35/36/66/1075353666.db2.gz XLAOOSRDKKGXOY-UHFFFAOYSA-N 1 0 412.263 1.601 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000676093773 1075353999 /nfs/dbraw/zinc/35/39/99/1075353999.db2.gz OXIPDLXEKVYJFD-GOSISDBHSA-N 1 0 404.430 1.123 20 0 HDADRO COc1cccc(N2CC[C@@H](CNC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)C2)c1 ZINC000676093188 1075355220 /nfs/dbraw/zinc/35/52/20/1075355220.db2.gz GREGKFFRAPCLAT-INIZCTEOSA-N 1 0 414.510 1.035 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC2(c3ccc(Br)cc3)CC2)cn1 ZINC000676094527 1075355578 /nfs/dbraw/zinc/35/55/78/1075355578.db2.gz VZDHOLICCYEBEG-UHFFFAOYSA-N 1 0 420.311 1.951 20 0 HDADRO COc1ccccc1N1CCC(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676094565 1075355941 /nfs/dbraw/zinc/35/59/41/1075355941.db2.gz WMXQHURZFLEWLI-UHFFFAOYSA-N 1 0 420.473 2.000 20 0 HDADRO CCO[C@H](C)c1nc(CN(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cs1 ZINC000442352158 1075356072 /nfs/dbraw/zinc/35/60/72/1075356072.db2.gz PKXPDQYCVBVPDQ-CYBMUJFWSA-N 1 0 414.491 2.418 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(Br)c(F)c2)cn1 ZINC000676094207 1075357097 /nfs/dbraw/zinc/35/70/97/1075357097.db2.gz TXTXGYHOJXSODF-UHFFFAOYSA-N 1 0 412.263 1.601 20 0 HDADRO CN(C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 ZINC000731466865 1075357662 /nfs/dbraw/zinc/35/76/62/1075357662.db2.gz LUKTZQKTJFVYQT-INIZCTEOSA-N 1 0 402.520 1.932 20 0 HDADRO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000676096689 1075359096 /nfs/dbraw/zinc/35/90/96/1075359096.db2.gz GTYDHUIPLGRQBI-KSSFIOAISA-N 1 0 403.458 1.511 20 0 HDADRO Cc1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1C(=O)N1CCCC1 ZINC000676100452 1075359673 /nfs/dbraw/zinc/35/96/73/1075359673.db2.gz ROHYKQKFEGEOSW-UHFFFAOYSA-N 1 0 412.494 1.566 20 0 HDADRO COc1ccccc1C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)C(C)C ZINC000676097167 1075362131 /nfs/dbraw/zinc/36/21/31/1075362131.db2.gz JDXCIKZMRXOFME-SFHVURJKSA-N 1 0 401.511 1.775 20 0 HDADRO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731481490 1075365465 /nfs/dbraw/zinc/36/54/65/1075365465.db2.gz WGQRLSSOAHSALR-GFGNLIMNSA-N 1 0 410.584 1.303 20 0 HDADRO O=C(Nc1cnn(CCO)c1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000676099170 1075366450 /nfs/dbraw/zinc/36/64/50/1075366450.db2.gz KTSUIJRLUUZSCR-UHFFFAOYSA-N 1 0 401.467 1.317 20 0 HDADRO O=C(NCc1nccn1CCc1ccccc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676099107 1075366459 /nfs/dbraw/zinc/36/64/59/1075366459.db2.gz JGGKWIVWRRGGDQ-UHFFFAOYSA-N 1 0 415.457 1.961 20 0 HDADRO CNC(=O)c1ccc(C[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C2CC2)cc1 ZINC000731487678 1075367182 /nfs/dbraw/zinc/36/71/82/1075367182.db2.gz VHCUZWGXRLTDHD-HXUWFJFHSA-N 1 0 422.485 1.888 20 0 HDADRO CC(C)COC(=O)N1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000731502786 1075369486 /nfs/dbraw/zinc/36/94/86/1075369486.db2.gz QEHGNZWEJQPUHL-UHFFFAOYSA-N 1 0 411.547 1.049 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000731480116 1075371149 /nfs/dbraw/zinc/37/11/49/1075371149.db2.gz AVCCVCIICKFWNH-HNNXBMFYSA-N 1 0 414.572 1.355 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)CC1 ZINC000731481237 1075371429 /nfs/dbraw/zinc/37/14/29/1075371429.db2.gz PUUSYJVFHBOWQK-UHFFFAOYSA-N 1 0 401.536 1.834 20 0 HDADRO COc1ccc(CN(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c(OC)c1 ZINC000427017421 1075371715 /nfs/dbraw/zinc/37/17/15/1075371715.db2.gz VSTAUKAEYUDKMD-UHFFFAOYSA-N 1 0 415.494 1.764 20 0 HDADRO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731480731 1075372017 /nfs/dbraw/zinc/37/20/17/1075372017.db2.gz JUXFUTGZMYISHJ-KRWDZBQOSA-N 1 0 412.575 1.985 20 0 HDADRO O=C(NCCNC(=O)c1ccc(Cl)cc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676089504 1075372998 /nfs/dbraw/zinc/37/29/98/1075372998.db2.gz GWTRTBOJUBDPEP-UHFFFAOYSA-N 1 0 412.837 1.405 20 0 HDADRO CN(Cc1ccccc1Br)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676090813 1075374145 /nfs/dbraw/zinc/37/41/45/1075374145.db2.gz HYRRIMKKGIOQHB-UHFFFAOYSA-N 1 0 408.300 1.804 20 0 HDADRO CCOc1ccccc1N1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676091023 1075375519 /nfs/dbraw/zinc/37/55/19/1075375519.db2.gz VAWBDECFTUUWKK-UHFFFAOYSA-N 1 0 420.473 1.953 20 0 HDADRO Cn1ccnc1[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccccc1F ZINC000676090142 1075375627 /nfs/dbraw/zinc/37/56/27/1075375627.db2.gz RCSDKOYUFNNAEN-GOSISDBHSA-N 1 0 419.420 1.984 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cn1 ZINC000676091477 1075376707 /nfs/dbraw/zinc/37/67/07/1075376707.db2.gz ANZWVAKLJKFUJN-UHFFFAOYSA-N 1 0 409.494 1.666 20 0 HDADRO CN(CCOC(C)(C)C)C(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000676102304 1075383402 /nfs/dbraw/zinc/38/34/02/1075383402.db2.gz ZRHPKYFKGNFVDU-UHFFFAOYSA-N 1 0 406.483 1.368 20 0 HDADRO CC[N@H+](CCNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)C1CC1 ZINC000543658647 1075396747 /nfs/dbraw/zinc/39/67/47/1075396747.db2.gz SZLYKGDCSWKXLK-UHFFFAOYSA-N 1 0 416.482 1.173 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)n2)cc1 ZINC000426502258 1075398100 /nfs/dbraw/zinc/39/81/00/1075398100.db2.gz ZPXUFRCGECUXQD-SFHVURJKSA-N 1 0 411.506 1.965 20 0 HDADRO Nc1nsc(N2CCN(C(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000676146764 1075398054 /nfs/dbraw/zinc/39/80/54/1075398054.db2.gz GJIVDBULGMSDNK-KRWDZBQOSA-N 1 0 415.567 1.864 20 0 HDADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000676148486 1075399537 /nfs/dbraw/zinc/39/95/37/1075399537.db2.gz WKIHPBCBFXOYRV-RCCFBDPRSA-N 1 0 414.472 1.805 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)CC2)C1 ZINC000676151911 1075401153 /nfs/dbraw/zinc/40/11/53/1075401153.db2.gz YKQNZNMNQLIKEB-VGSWGCGISA-N 1 0 419.570 1.116 20 0 HDADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c(OC)c1 ZINC000544457971 1075405976 /nfs/dbraw/zinc/40/59/76/1075405976.db2.gz JRMVVJQOEMVPQG-RBUKOAKNSA-N 1 0 419.522 1.628 20 0 HDADRO C[NH+]1CCN(c2ccc(NC(=O)Cc3cccc(NS(C)(=O)=O)c3)cc2)CC1 ZINC000731599479 1075406186 /nfs/dbraw/zinc/40/61/86/1075406186.db2.gz DVMBFDIENVCFSC-UHFFFAOYSA-N 1 0 402.520 1.991 20 0 HDADRO Cc1cccc(C)c1OC[C@H](O)CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000676167553 1075409597 /nfs/dbraw/zinc/40/95/97/1075409597.db2.gz LIIHQYFXXULDCT-AABGKKOBSA-N 1 0 405.539 1.720 20 0 HDADRO COCCC(=O)N1CCC(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000676166920 1075416240 /nfs/dbraw/zinc/41/62/40/1075416240.db2.gz GPAOIVSALQCQGD-HXUWFJFHSA-N 1 0 402.539 1.930 20 0 HDADRO COc1ccc(F)cc1CN1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438713130 1075416292 /nfs/dbraw/zinc/41/62/92/1075416292.db2.gz YIFZRJDGRWQMJQ-UHFFFAOYSA-N 1 0 404.490 1.942 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000676191174 1075420905 /nfs/dbraw/zinc/42/09/05/1075420905.db2.gz LKNBHSXARGWZIF-MOPGFXCFSA-N 1 0 406.548 1.877 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000448496905 1075426553 /nfs/dbraw/zinc/42/65/53/1075426553.db2.gz SCWWCSAWVJXVMF-QKKBWIMNSA-N 1 0 416.501 2.280 20 0 HDADRO COc1cc(Br)c(C[NH2+]C[C@](C)(O)CN2CCOCC2)c(OC)c1 ZINC000676200800 1075434995 /nfs/dbraw/zinc/43/49/95/1075434995.db2.gz UVZUDPBYSMXAOM-KRWDZBQOSA-N 1 0 403.317 1.639 20 0 HDADRO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)[C@H]1C(C)C ZINC000429404936 1075436991 /nfs/dbraw/zinc/43/69/91/1075436991.db2.gz WEAQEYJJWZESJZ-YJBOKZPZSA-N 1 0 411.524 1.409 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000731686516 1075446207 /nfs/dbraw/zinc/44/62/07/1075446207.db2.gz BQYQYXPOGKKFNM-SFHVURJKSA-N 1 0 414.547 1.237 20 0 HDADRO Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000544160675 1075447703 /nfs/dbraw/zinc/44/77/03/1075447703.db2.gz PGTXUXQRGZMUSD-UHFFFAOYSA-N 1 0 404.559 1.779 20 0 HDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000731687449 1075449459 /nfs/dbraw/zinc/44/94/59/1075449459.db2.gz OYHIXGOIAPMBBH-SFHVURJKSA-N 1 0 402.539 1.582 20 0 HDADRO CN1CC[NH+](CC2CCN(C(=O)CCC(=O)N3CCOc4ccccc43)CC2)CC1 ZINC000731687569 1075450717 /nfs/dbraw/zinc/45/07/17/1075450717.db2.gz ZCYHCRJRDODMHF-UHFFFAOYSA-N 1 0 414.550 1.678 20 0 HDADRO C[C@@H]1CN(C(=O)NC2CCN(c3nccs3)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000466721484 1075452708 /nfs/dbraw/zinc/45/27/08/1075452708.db2.gz YUAUXTJXFFVXKP-AEFFLSMTSA-N 1 0 406.600 1.779 20 0 HDADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc3n(n2)CCCC3)[NH+](C)C)cc1OC ZINC000497858113 1075453733 /nfs/dbraw/zinc/45/37/33/1075453733.db2.gz NYLBDDZGLOFSTN-MRXNPFEDSA-N 1 0 415.494 1.594 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000731679532 1075461736 /nfs/dbraw/zinc/46/17/36/1075461736.db2.gz MQAFHKIIFNAPOB-OAHLLOKOSA-N 1 0 402.586 1.760 20 0 HDADRO CS(=O)(=O)CCN1CCC(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000731683017 1075466016 /nfs/dbraw/zinc/46/60/16/1075466016.db2.gz YCXBIRMYLGLCIM-FQEVSTJZSA-N 1 0 422.595 1.459 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CN(C)CCO1 ZINC000676278300 1075478676 /nfs/dbraw/zinc/47/86/76/1075478676.db2.gz HNHKKVIRLLAEDK-XLIONFOSSA-N 1 0 418.538 1.325 20 0 HDADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000711753903 1075491456 /nfs/dbraw/zinc/49/14/56/1075491456.db2.gz AELRACZNDQWOCR-IEBWSBKVSA-N 1 0 412.577 1.002 20 0 HDADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)[NH+](C)C)c1 ZINC000581967472 1075492327 /nfs/dbraw/zinc/49/23/27/1075492327.db2.gz SQSNFQQUWFIFGL-HNAYVOBHSA-N 1 0 413.522 2.529 20 0 HDADRO C[C@H](NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000676307444 1075493092 /nfs/dbraw/zinc/49/30/92/1075493092.db2.gz PLJXRZFGZPFRJY-PZJWPPBQSA-N 1 0 403.571 1.165 20 0 HDADRO CC[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)nn1)[N@@H+]1CCc2ccccc2C1 ZINC000560168289 1075497396 /nfs/dbraw/zinc/49/73/96/1075497396.db2.gz QUMFQJFWPTZCMF-GOSISDBHSA-N 1 0 411.506 2.155 20 0 HDADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000676296117 1075498801 /nfs/dbraw/zinc/49/88/01/1075498801.db2.gz WOEQWFLUZRWVDY-GOSISDBHSA-N 1 0 401.555 1.627 20 0 HDADRO CN(C)C(=O)CN1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000676297258 1075500006 /nfs/dbraw/zinc/50/00/06/1075500006.db2.gz YXKMVGMODCQHQP-APWZRJJASA-N 1 0 407.584 1.546 20 0 HDADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000676299678 1075501433 /nfs/dbraw/zinc/50/14/33/1075501433.db2.gz OSIDISNTZDVYTM-OALUTQOASA-N 1 0 415.582 1.558 20 0 HDADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731755741 1075512510 /nfs/dbraw/zinc/51/25/10/1075512510.db2.gz BIBUZKZAVWLZSI-ZACQAIPSSA-N 1 0 402.605 1.161 20 0 HDADRO Cc1nc(C)c([C@H](C)N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)s1 ZINC000426925972 1075513468 /nfs/dbraw/zinc/51/34/68/1075513468.db2.gz NHEPIELAZBDZQS-ZDUSSCGKSA-N 1 0 404.540 2.381 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000731758405 1075513605 /nfs/dbraw/zinc/51/36/05/1075513605.db2.gz CIAHCOWDBAPTOE-UHFFFAOYSA-N 1 0 424.489 1.718 20 0 HDADRO NC(=O)c1ncn2c1nc(-c1ccco1)cc2C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676342294 1075516357 /nfs/dbraw/zinc/51/63/57/1075516357.db2.gz GIIGEEPTZXRRJR-AWEZNQCLSA-N 1 0 424.461 1.071 20 0 HDADRO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000676344181 1075516803 /nfs/dbraw/zinc/51/68/03/1075516803.db2.gz YRNVXUHIFVODFH-UHFFFAOYSA-N 1 0 414.510 1.087 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000676343514 1075517510 /nfs/dbraw/zinc/51/75/10/1075517510.db2.gz SDWOWUQHLWEYBJ-CQSZACIVSA-N 1 0 410.400 1.664 20 0 HDADRO O=C(COc1ccccc1)N1CCC[C@H](C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000676344888 1075518294 /nfs/dbraw/zinc/51/82/94/1075518294.db2.gz UNQUBPKOWAVRCX-ICSRJNTNSA-N 1 0 415.534 1.674 20 0 HDADRO COC(=O)c1ccc(NC(=O)N2CCN(CCO)[C@@H](C)C2)c(OCC(F)(F)F)c1 ZINC000429426950 1075526174 /nfs/dbraw/zinc/52/61/74/1075526174.db2.gz GPODPRWLRHFBEE-LBPRGKRZSA-N 1 0 419.400 1.945 20 0 HDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCc3n[nH]cc3Br)CC2)CC1 ZINC000676358778 1075531933 /nfs/dbraw/zinc/53/19/33/1075531933.db2.gz USKMETVSRDTDAM-UHFFFAOYSA-N 1 0 413.364 1.872 20 0 HDADRO CCOC(=O)N1CCC(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000731853137 1075535131 /nfs/dbraw/zinc/53/51/31/1075535131.db2.gz CUSBWZSNVHOUJM-UHFFFAOYSA-N 1 0 409.552 1.975 20 0 HDADRO C[NH+](C)[C@@]1(CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CCSC1 ZINC000804145512 1075546119 /nfs/dbraw/zinc/54/61/19/1075546119.db2.gz LAWOTMIQKLFKMP-QZTJIDSGSA-N 1 0 411.549 1.294 20 0 HDADRO C[C@@H](CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)[NH+]1CCC(C)CC1 ZINC000804148827 1075550825 /nfs/dbraw/zinc/55/08/25/1075550825.db2.gz DMKYADAEVDGJHB-YWZLYKJASA-N 1 0 407.536 1.978 20 0 HDADRO CN(C)C(=O)Nc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(Cl)c1 ZINC000676446551 1075556107 /nfs/dbraw/zinc/55/61/07/1075556107.db2.gz SOODWKALIYSUHK-QGZVFWFLSA-N 1 0 421.929 1.988 20 0 HDADRO NC(=O)C1CC[NH+](CCCCNC(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CC1 ZINC000676448102 1075556220 /nfs/dbraw/zinc/55/62/20/1075556220.db2.gz BVXOBSKMOKCYDE-KRWDZBQOSA-N 1 0 401.511 1.389 20 0 HDADRO Cc1cc(CNC(=O)C(=O)Nc2cc(C)nn2[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000676453240 1075558097 /nfs/dbraw/zinc/55/80/97/1075558097.db2.gz KLURSKDFVJETTN-IBGZPJMESA-N 1 0 421.505 1.925 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cnn(-c3ccccc3F)c2C)CC1 ZINC000676453924 1075558838 /nfs/dbraw/zinc/55/88/38/1075558838.db2.gz BXDZFOXYHZBWLN-UHFFFAOYSA-N 1 0 403.458 1.485 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCC(C)(C)CO)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000676455018 1075559358 /nfs/dbraw/zinc/55/93/58/1075559358.db2.gz GTMYERFILZVNQM-SFHVURJKSA-N 1 0 413.522 1.712 20 0 HDADRO COCC[C@H]1NC(=O)N(Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)C1=O ZINC000804160744 1075561039 /nfs/dbraw/zinc/56/10/39/1075561039.db2.gz ATOQCGDQACCLSU-LJQANCHMSA-N 1 0 405.495 1.633 20 0 HDADRO C[C@H](CC(=O)N1CC[NH+](CC2CC2)CC1)NS(=O)(=O)c1cccnc1Cl ZINC000731897443 1075561551 /nfs/dbraw/zinc/56/15/51/1075561551.db2.gz VTGROOFYJLRXOL-CYBMUJFWSA-N 1 0 400.932 1.346 20 0 HDADRO COc1cc(C)c(CN2CCN(C(=O)CN3C[C@@H](C)[N@H+](C)C[C@H]3C)CC2)cc1OC ZINC000509416100 1075561671 /nfs/dbraw/zinc/56/16/71/1075561671.db2.gz LXFRKJFYATWPBM-RTBURBONSA-N 1 0 418.582 1.681 20 0 HDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)C2(OCc3ccccc3)CCOCC2)CC1 ZINC000676471177 1075562650 /nfs/dbraw/zinc/56/26/50/1075562650.db2.gz ASWDPBIUPDVHFL-HXUWFJFHSA-N 1 0 415.534 1.693 20 0 HDADRO COc1ccc(NC(=O)N[C@@H]2CCn3ccnc3C2)cc1S(=O)(=O)NC1CC1 ZINC000429439855 1075563697 /nfs/dbraw/zinc/56/36/97/1075563697.db2.gz GEDKTAGOOGLHEW-CQSZACIVSA-N 1 0 405.480 1.469 20 0 HDADRO CC[NH+]1CCC(CCN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 ZINC000804162853 1075566653 /nfs/dbraw/zinc/56/66/53/1075566653.db2.gz VBOJXTYINOLZTE-FQEVSTJZSA-N 1 0 407.536 1.979 20 0 HDADRO CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000504531065 1075569882 /nfs/dbraw/zinc/56/98/82/1075569882.db2.gz AOMXHXKPCDBQPX-MOPGFXCFSA-N 1 0 417.579 1.364 20 0 HDADRO C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1nc2ccccc2s1 ZINC000804165799 1075572882 /nfs/dbraw/zinc/57/28/82/1075572882.db2.gz FCACEIPFVIEGRA-HNNXBMFYSA-N 1 0 417.579 1.958 20 0 HDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000448504393 1075578645 /nfs/dbraw/zinc/57/86/45/1075578645.db2.gz QZDPPNZNHBRXRN-ZDUSSCGKSA-N 1 0 422.327 1.893 20 0 HDADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1 ZINC000676539823 1075579855 /nfs/dbraw/zinc/57/98/55/1075579855.db2.gz CZOAOIFNSKQFOG-QGZVFWFLSA-N 1 0 402.605 1.906 20 0 HDADRO CC(C)[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000509419708 1075580092 /nfs/dbraw/zinc/58/00/92/1075580092.db2.gz CVKAGBQZZMRAKR-OXQOHEQNSA-N 1 0 404.559 1.588 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccnc(Oc3ccccc3)c2)n1 ZINC000676544130 1075581450 /nfs/dbraw/zinc/58/14/50/1075581450.db2.gz LGNMIVAKSKBWDB-UHFFFAOYSA-N 1 0 408.462 1.887 20 0 HDADRO CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1=O ZINC000732002541 1075584347 /nfs/dbraw/zinc/58/43/47/1075584347.db2.gz UQCBZLKNEYIQDT-QGZVFWFLSA-N 1 0 408.502 1.820 20 0 HDADRO COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000429447658 1075585647 /nfs/dbraw/zinc/58/56/47/1075585647.db2.gz JXTBJWIQWQDIHH-AWEZNQCLSA-N 1 0 412.533 1.605 20 0 HDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000429447726 1075586050 /nfs/dbraw/zinc/58/60/50/1075586050.db2.gz IDBZQFPIEYGRPG-GFCCVEGCSA-N 1 0 421.361 1.588 20 0 HDADRO O=S(=O)([C@H]1CCCOC1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000543679624 1075589891 /nfs/dbraw/zinc/58/98/91/1075589891.db2.gz WTUFGMJWJHSBQI-OALUTQOASA-N 1 0 408.568 1.424 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCc2c[nH]c3cc(Cl)ccc23)n1 ZINC000676547961 1075595169 /nfs/dbraw/zinc/59/51/69/1075595169.db2.gz VTHACFFBAKOLBR-UHFFFAOYSA-N 1 0 402.886 1.877 20 0 HDADRO C[N@H+](CCN1CCN(C(=O)NCCC2(O)CCOCC2)CC1)Cc1ccccc1 ZINC000509422995 1075597782 /nfs/dbraw/zinc/59/77/82/1075597782.db2.gz MTKLPOPJIUMPDQ-UHFFFAOYSA-N 1 0 404.555 1.377 20 0 HDADRO C[C@@H](c1cccc(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1)N1CCOCC1 ZINC000439626376 1075599724 /nfs/dbraw/zinc/59/97/24/1075599724.db2.gz 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CS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000676633401 1075625180 /nfs/dbraw/zinc/62/51/80/1075625180.db2.gz BODDBDGYARZMGT-OLZOCXBDSA-N 1 0 411.351 1.994 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C ZINC000804183286 1075627253 /nfs/dbraw/zinc/62/72/53/1075627253.db2.gz QWPKLCRDTQOZNJ-FUHWJXTLSA-N 1 0 418.538 1.606 20 0 HDADRO COc1cccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)c1OC ZINC000540077835 1075631838 /nfs/dbraw/zinc/63/18/38/1075631838.db2.gz ACWNITJAVKPWBK-UHFFFAOYSA-N 1 0 409.450 1.224 20 0 HDADRO COc1ccccc1Nc1nc(N)nc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)n1 ZINC000606437487 1075640891 /nfs/dbraw/zinc/64/08/91/1075640891.db2.gz UUMYKHOKFYVKKF-MRXNPFEDSA-N 1 0 413.526 1.315 20 0 HDADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000804190853 1075641390 /nfs/dbraw/zinc/64/13/90/1075641390.db2.gz NWOXUOVYAJIRDA-DLENHJPASA-N 1 0 409.552 1.523 20 0 HDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000732166163 1075644613 /nfs/dbraw/zinc/64/46/13/1075644613.db2.gz LUYSQIQFLHQYPX-AWEZNQCLSA-N 1 0 415.943 1.573 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000732149329 1075650354 /nfs/dbraw/zinc/65/03/54/1075650354.db2.gz HTUDKOVDEYWFCT-AWEZNQCLSA-N 1 0 407.565 1.290 20 0 HDADRO COc1ccc(COC[C@H](O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000676701263 1075651751 /nfs/dbraw/zinc/65/17/51/1075651751.db2.gz BLVJXHYFTLGIAF-WOJBJXKFSA-N 1 0 407.555 1.293 20 0 HDADRO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(CN3CCc4ccccc43)CC1)C2=O ZINC000732187069 1075653688 /nfs/dbraw/zinc/65/36/88/1075653688.db2.gz GRQAZGCKJTXKPI-UHFFFAOYSA-N 1 0 411.550 1.735 20 0 HDADRO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1=O ZINC000429459571 1075657422 /nfs/dbraw/zinc/65/74/22/1075657422.db2.gz YGEGMWZMKANOPG-IMFGXOCKSA-N 1 0 400.523 1.970 20 0 HDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1F ZINC000676730159 1075663433 /nfs/dbraw/zinc/66/34/33/1075663433.db2.gz 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COCC[N@@H+]1CCC[C@H](NC(=O)CN2C(=S)N=NC2c2ccc(OC)cc2)C1 ZINC000730036031 1076413990 /nfs/dbraw/zinc/41/39/90/1076413990.db2.gz HLAFTHIFBWZXEL-HNNXBMFYSA-N 1 0 405.524 1.469 20 0 HDADRO CNC(=O)C1(C(=O)O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000730048854 1076421554 /nfs/dbraw/zinc/42/15/54/1076421554.db2.gz WIGLQLPDGVSTFM-INIZCTEOSA-N 1 0 401.507 1.615 20 0 HDADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000730084230 1076433055 /nfs/dbraw/zinc/43/30/55/1076433055.db2.gz GUTCEZPKQBBBQT-NLPACSHJSA-N 1 0 400.458 1.176 20 0 HDADRO O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000730085441 1076433057 /nfs/dbraw/zinc/43/30/57/1076433057.db2.gz LRYDNKGDWGVWHL-QXAKKESOSA-N 1 0 405.926 1.746 20 0 HDADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000730087164 1076441721 /nfs/dbraw/zinc/44/17/21/1076441721.db2.gz WHZCALXOUWETCG-CVEARBPZSA-N 1 0 421.954 1.945 20 0 HDADRO Cc1ccc(N2C[C@H](C(=O)NCc3ccc(C(=O)NCC[NH+](C)C)cc3)CC2=O)cc1 ZINC000730092403 1076447740 /nfs/dbraw/zinc/44/77/40/1076447740.db2.gz HLUPIIICDFUKNW-HXUWFJFHSA-N 1 0 422.529 1.956 20 0 HDADRO Cn1ccnc1CN1CC[NH+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000730099094 1076452863 /nfs/dbraw/zinc/45/28/63/1076452863.db2.gz AYAVLSKZWBERGS-UHFFFAOYSA-N 1 0 412.538 1.403 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000730123391 1076464792 /nfs/dbraw/zinc/46/47/92/1076464792.db2.gz JHTSFTZBTMTFHT-QGZVFWFLSA-N 1 0 418.542 1.642 20 0 HDADRO CN1CCC([NH+]2CCC(NC(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000730124547 1076465250 /nfs/dbraw/zinc/46/52/50/1076465250.db2.gz BFUPSKIIZCYNBE-KRWDZBQOSA-N 1 0 409.575 1.854 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000730227962 1076484680 /nfs/dbraw/zinc/48/46/80/1076484680.db2.gz MDSHFZPUFSVCDR-INIZCTEOSA-N 1 0 421.501 1.457 20 0 HDADRO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000730228094 1076485115 /nfs/dbraw/zinc/48/51/15/1076485115.db2.gz MSDUXEKRLVUWQK-HRCADAONSA-N 1 0 418.538 1.664 20 0 HDADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)NC2CC2)CC1 ZINC000730263980 1076504770 /nfs/dbraw/zinc/50/47/70/1076504770.db2.gz JOIPBXHNPYFMLX-CABCVRRESA-N 1 0 410.559 1.737 20 0 HDADRO CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000730263467 1076505263 /nfs/dbraw/zinc/50/52/63/1076505263.db2.gz UZOCSIKDLYWGFT-GOSISDBHSA-N 1 0 424.586 1.737 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000730268620 1076509249 /nfs/dbraw/zinc/50/92/49/1076509249.db2.gz FCTVQSBQGNENLJ-SNVBAGLBSA-N 1 0 411.753 1.412 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000730269557 1076510312 /nfs/dbraw/zinc/51/03/12/1076510312.db2.gz ZXBXKMRDOOOHSR-WEKMIXOTSA-N 1 0 402.358 1.975 20 0 HDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1c(F)cccc1-n1cccn1 ZINC000730389207 1076568395 /nfs/dbraw/zinc/56/83/95/1076568395.db2.gz NRNSXPARNRMJTQ-OAHLLOKOSA-N 1 0 403.458 1.519 20 0 HDADRO NC(=O)[C@H]1CC(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)=NN1c1ccc(F)cc1 ZINC000730764472 1076647511 /nfs/dbraw/zinc/64/75/11/1076647511.db2.gz XPVQTORFLCPBCT-PKOBYXMFSA-N 1 0 401.486 1.723 20 0 HDADRO Cc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2=O)c1 ZINC000730774137 1076650346 /nfs/dbraw/zinc/65/03/46/1076650346.db2.gz VBAGBIMTXILYSV-RCCFBDPRSA-N 1 0 400.479 1.179 20 0 HDADRO CN(C[C@@H]1CCCOC1)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000730803541 1076655071 /nfs/dbraw/zinc/65/50/71/1076655071.db2.gz JZHKACOUPXXKNM-UGKGYDQZSA-N 1 0 400.523 1.889 20 0 HDADRO COc1ccc(OC)c([C@H](O)CNC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC000730829023 1076663788 /nfs/dbraw/zinc/66/37/88/1076663788.db2.gz DAJJHBXJNPBBKN-GOSISDBHSA-N 1 0 409.527 1.926 20 0 HDADRO COCC[N@@H+]1CC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000730841937 1076671157 /nfs/dbraw/zinc/67/11/57/1076671157.db2.gz SBFQZIXIRPLYRP-XXBNENTESA-N 1 0 424.501 1.444 20 0 HDADRO O=C(NCCNS(=O)(=O)Cc1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000730902686 1076688481 /nfs/dbraw/zinc/68/84/81/1076688481.db2.gz QLKQTIGCDCZROQ-IBGZPJMESA-N 1 0 408.568 1.766 20 0 HDADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000730940099 1076699064 /nfs/dbraw/zinc/69/90/64/1076699064.db2.gz VRVMXKQRACJNOK-KRWDZBQOSA-N 1 0 406.483 1.912 20 0 HDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1 ZINC000731007013 1076709200 /nfs/dbraw/zinc/70/92/00/1076709200.db2.gz DXXDYDINOCKILO-HNNXBMFYSA-N 1 0 401.504 1.353 20 0 HDADRO COC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000731008403 1076710001 /nfs/dbraw/zinc/71/00/01/1076710001.db2.gz GSXOPHQAXNLYHT-MOPGFXCFSA-N 1 0 418.538 1.771 20 0 HDADRO Cc1nc(COc2ccc(NC(=O)C(=O)NC[C@H](C)[NH+]3CCCCC3)cc2)no1 ZINC000731125253 1076734094 /nfs/dbraw/zinc/73/40/94/1076734094.db2.gz DWVZWSNCKCONOV-AWEZNQCLSA-N 1 0 401.467 1.886 20 0 HDADRO CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000731134217 1076737205 /nfs/dbraw/zinc/73/72/05/1076737205.db2.gz KRAUSQWEBLVINP-HNNXBMFYSA-N 1 0 403.483 1.968 20 0 HDADRO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NC[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC000731232713 1076761299 /nfs/dbraw/zinc/76/12/99/1076761299.db2.gz HFUGKQOMQWFELC-PXNSSMCTSA-N 1 0 415.538 1.327 20 0 HDADRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)c1 ZINC000466917889 1126094308 /nfs/dbraw/zinc/09/43/08/1126094308.db2.gz GXOVYRPSMPKQAX-FQEVSTJZSA-N 1 0 404.532 1.709 20 0 HDADRO COc1cc(C[NH2+][C@@H](CO)Cc2ccccc2)ccc1OCC(=O)N1CCOCC1 ZINC000479456721 1126094798 /nfs/dbraw/zinc/09/47/98/1126094798.db2.gz QBHWBWBJZOADJW-HXUWFJFHSA-N 1 0 414.502 1.626 20 0 HDADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001164393746 718809921 /nfs/dbraw/zinc/80/99/21/718809921.db2.gz VOXKMQJRAMFYON-UHFFFAOYSA-N 1 0 403.817 1.430 20 0 HDADRO Cc1cc2c(ncnc2N2CCN3CC[NH2+]C[C@@H]3C2)n1S(=O)(=O)c1ccccc1 ZINC001164393400 718831139 /nfs/dbraw/zinc/83/11/39/718831139.db2.gz VIGNMJVOAUMDRT-MRXNPFEDSA-N 1 0 412.519 1.071 20 0 HDADRO OC[C@]12C[NH2+]C[C@H]1CN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001164409737 718853246 /nfs/dbraw/zinc/85/32/46/718853246.db2.gz WUKRRZQHFREQCT-LHSJRXKWSA-N 1 0 415.563 1.030 20 0 HDADRO CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[NH2+]CC[C@@H]32)c1CN1CC[C@H](CO)C1 ZINC001164411973 718875281 /nfs/dbraw/zinc/87/52/81/718875281.db2.gz SKHGRMIGELQLMJ-SNRMKQJTSA-N 1 0 401.555 1.821 20 0 HDADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)cc1C(=O)OC ZINC001164615574 719014278 /nfs/dbraw/zinc/01/42/78/719014278.db2.gz IWALIRKEQGCBNY-ICCXJUOJSA-N 1 0 403.813 1.796 20 0 HDADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1[C@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164618282 719018388 /nfs/dbraw/zinc/01/83/88/719018388.db2.gz RYOFLGPRQPQKNZ-ZAQLIGFBSA-N 1 0 408.808 1.665 20 0 HDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1 ZINC001164616176 719020278 /nfs/dbraw/zinc/02/02/78/719020278.db2.gz KNWDQXXDUHKZPA-DLOVCJGASA-N 1 0 423.869 1.413 20 0 HDADRO CCOC(=O)c1cnc(OC)nc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164614520 719026010 /nfs/dbraw/zinc/02/60/10/719026010.db2.gz UITVSZKALNYJJG-UHFFFAOYSA-N 1 0 420.510 1.906 20 0 HDADRO c1cnc(N(Cc2noc3c2C[NH2+]CC3)c2ccc(CN3CCOCC3)cn2)nc1 ZINC001164641050 719267353 /nfs/dbraw/zinc/26/73/53/719267353.db2.gz UUIRVWFTIXVHPE-UHFFFAOYSA-N 1 0 407.478 1.676 20 0 HDADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164666478 719417575 /nfs/dbraw/zinc/41/75/75/719417575.db2.gz CYGRKBFTZPGWSJ-LVKZSUFYSA-N 1 0 402.495 1.772 20 0 HDADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@@H]21 ZINC001164674838 719441571 /nfs/dbraw/zinc/44/15/71/719441571.db2.gz XQDRAFPXXLFDFA-HOTGVXAUSA-N 1 0 415.563 1.531 20 0 HDADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1C ZINC000301638447 719442147 /nfs/dbraw/zinc/44/21/47/719442147.db2.gz FRMNTTAOUPDAIF-HOTGVXAUSA-N 1 0 403.552 1.660 20 0 HDADRO C[NH+]1CCN(c2cccc(N3C[C@@H](C(=O)N4CC=CC4)C4(C3)CCOCC4)n2)CC1 ZINC001164677447 719559508 /nfs/dbraw/zinc/55/95/08/719559508.db2.gz NEUKWDDRRSLARD-IBGZPJMESA-N 1 0 411.550 1.465 20 0 HDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2 ZINC001164689532 719748950 /nfs/dbraw/zinc/74/89/50/719748950.db2.gz GOHZRKJSEMCJCS-UHFFFAOYSA-N 1 0 421.567 1.047 20 0 HDADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164702334 719867261 /nfs/dbraw/zinc/86/72/61/719867261.db2.gz ILACOSYXRMXEND-DENIHFKCSA-N 1 0 402.539 1.910 20 0 HDADRO O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]21 ZINC001164700763 719884204 /nfs/dbraw/zinc/88/42/04/719884204.db2.gz KZQXMQHWYHTJCO-CEXWTWQISA-N 1 0 408.506 1.805 20 0 HDADRO 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ZINC001164873385 721285469 /nfs/dbraw/zinc/28/54/69/721285469.db2.gz LRYPVYBMKPQOEP-UHFFFAOYSA-N 1 0 415.542 1.414 20 0 HDADRO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ccc(C[NH+]2CCCC2)cn1)c1ccnnc1 ZINC001164880773 721323111 /nfs/dbraw/zinc/32/31/11/721323111.db2.gz ZCAZBFRAXFNXKA-CZTZKLFOSA-N 1 0 422.533 1.881 20 0 HDADRO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncccc1C[NH+]1CCCC1)c1ccnnc1 ZINC001164878592 721324581 /nfs/dbraw/zinc/32/45/81/721324581.db2.gz PBROPXDMVIUKOY-YYWHXJBOSA-N 1 0 422.533 1.881 20 0 HDADRO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc4c(nn3)CC[NH2+]C4)C2)C1 ZINC001164780104 721358993 /nfs/dbraw/zinc/35/89/93/721358993.db2.gz DHISHJPUKLYMRI-QFIPXVFZSA-N 1 0 412.538 1.846 20 0 HDADRO C[NH+]1CCN(c2cccc(N3CCC[C@]4(CCCCN4S(C)(=O)=O)C3)n2)CC1 ZINC001164890580 721375947 /nfs/dbraw/zinc/37/59/47/721375947.db2.gz OLHZLWPVXBCWAZ-HXUWFJFHSA-N 1 0 407.584 1.618 20 0 HDADRO CN(C)c1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889958 721381017 /nfs/dbraw/zinc/38/10/17/721381017.db2.gz NBBASZFOHYBDKZ-OXQOHEQNSA-N 1 0 408.978 1.961 20 0 HDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C(N)=O)c(Cl)cn4)C3)O2)CC1 ZINC001164894105 721387107 /nfs/dbraw/zinc/38/71/07/721387107.db2.gz XRAPXNBRXDLQKM-YWZLYKJASA-N 1 0 407.946 1.599 20 0 HDADRO COC(=O)c1cc(OC)cnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892127 721399264 /nfs/dbraw/zinc/39/92/64/721399264.db2.gz RSNLYHUVECLFLY-HTAPYJJXSA-N 1 0 418.538 1.642 20 0 HDADRO CCOC(=O)c1c(C)ncnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883867 721413542 /nfs/dbraw/zinc/41/35/42/721413542.db2.gz CDGUVWOBVUMXSP-AVRDEDQJSA-N 1 0 417.554 1.727 20 0 HDADRO C[C@@H]1C(=O)Nc2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c21 ZINC001164886597 721418246 /nfs/dbraw/zinc/41/82/46/721418246.db2.gz KHDRKJCXGXSYAB-GCKMJXCFSA-N 1 0 400.527 1.298 20 0 HDADRO Cc1nc(-n2cncn2)cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164894930 721445128 /nfs/dbraw/zinc/44/51/28/721445128.db2.gz NLBBTSLLITZPDP-RXVVDRJESA-N 1 0 412.542 1.131 20 0 HDADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cnc(C(=O)OC)cn1)CC2 ZINC001164786893 721450077 /nfs/dbraw/zinc/45/00/77/721450077.db2.gz OMMDRAGRQSLYMJ-SFHVURJKSA-N 1 0 418.538 1.997 20 0 HDADRO CCOC(=O)Cc1ccnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164885396 721451631 /nfs/dbraw/zinc/45/16/31/721451631.db2.gz DNKUBAVJEOOXTO-OFNKIYASSA-N 1 0 416.566 1.953 20 0 HDADRO COC(=O)c1ncnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1OC ZINC001164890335 721452659 /nfs/dbraw/zinc/45/26/59/721452659.db2.gz QXTSDGFVBVRGFL-HRAATJIYSA-N 1 0 419.526 1.037 20 0 HDADRO c1cnc(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@H]32)c2ccc(CN3CCOCC3)cn2)nc1 ZINC001164789166 721484226 /nfs/dbraw/zinc/48/42/26/721484226.db2.gz BLNAFEBYXMZMKG-ZCNNSNEGSA-N 1 0 410.522 1.466 20 0 HDADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@@]4(COc4ncccc4F)C3)nn2)CC1 ZINC001164793570 721485100 /nfs/dbraw/zinc/48/51/00/721485100.db2.gz SROWPCKPSYQVAR-IIBYNOLFSA-N 1 0 414.485 1.294 20 0 HDADRO COC(=O)c1ccc2c(c1)ncnc2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794014 721509849 /nfs/dbraw/zinc/50/98/49/721509849.db2.gz AZNDPPYSFUEEFH-UHFFFAOYSA-N 1 0 421.505 1.381 20 0 HDADRO COC(=O)c1cc2ccccc2c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164795165 721520233 /nfs/dbraw/zinc/52/02/33/721520233.db2.gz KQFGKDFKHNAZDF-UHFFFAOYSA-N 1 0 420.517 1.986 20 0 HDADRO CCNS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164908686 721553200 /nfs/dbraw/zinc/55/32/00/721553200.db2.gz RQZZAQQPWVQXCC-FUHWJXTLSA-N 1 0 420.510 1.861 20 0 HDADRO CN1CCN(c2nccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164905407 721561050 /nfs/dbraw/zinc/56/10/50/721561050.db2.gz HGBFHVQMZIEMAK-QUCCMNQESA-N 1 0 412.513 1.709 20 0 HDADRO CC(C)N(C)Cc1nnc2n1CCCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001165009155 721715605 /nfs/dbraw/zinc/71/56/05/721715605.db2.gz QHVVGIDYYAWJLW-UHFFFAOYSA-N 1 0 400.531 1.449 20 0 HDADRO NS(=O)(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164913416 721730717 /nfs/dbraw/zinc/73/07/17/721730717.db2.gz VJAHIWFXHDYENF-SFHVURJKSA-N 1 0 423.489 1.862 20 0 HDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2c(Cl)nc(Cl)nc2C(N)=O)CC1 ZINC001165011126 721739484 /nfs/dbraw/zinc/73/94/84/721739484.db2.gz MKVOHBMIHHYGQS-UHFFFAOYSA-N 1 0 415.325 1.405 20 0 HDADRO Cn1cc(C(=O)N[C@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)[C@@H]3CCCO[C@H]32)cn1 ZINC001165013410 721757836 /nfs/dbraw/zinc/75/78/36/721757836.db2.gz LNGGBBDVLQXKND-ZVDOUQERSA-N 1 0 410.522 1.576 20 0 HDADRO Cn1cc(C(=O)N[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)[C@@H]3CCCO[C@@H]23)cn1 ZINC001165013511 721758142 /nfs/dbraw/zinc/75/81/42/721758142.db2.gz MZYQNGWAJNNPRZ-AQNXPRMDSA-N 1 0 410.522 1.577 20 0 HDADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(N)(=O)=O)C[C@@H]21 ZINC001165027239 721803310 /nfs/dbraw/zinc/80/33/10/721803310.db2.gz USJIHMCWEFBNTL-RYQLBKOJSA-N 1 0 401.536 1.861 20 0 HDADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)cn3)C[C@@H]21 ZINC001165028881 721809157 /nfs/dbraw/zinc/80/91/57/721809157.db2.gz XXFFKNIRRKXXJQ-AYOQOUSVSA-N 1 0 401.536 1.861 20 0 HDADRO Cc1cnc2n1CCN(C)C21CCN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001164918337 721817079 /nfs/dbraw/zinc/81/70/79/721817079.db2.gz OPMRTUWEBIKFNC-UHFFFAOYSA-N 1 0 409.538 1.073 20 0 HDADRO COCCN1CCO[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@@H]2C1=O ZINC001164919857 721843854 /nfs/dbraw/zinc/84/38/54/721843854.db2.gz DJWYSYCZTJHASE-OALUTQOASA-N 1 0 418.538 1.256 20 0 HDADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncccc1S(=O)(=O)N1CCCCC1 ZINC001164934217 721884204 /nfs/dbraw/zinc/88/42/04/721884204.db2.gz QLWLITGHBKXHGV-MSOLQXFVSA-N 1 0 407.584 1.471 20 0 HDADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@@H]21 ZINC001164946779 721953145 /nfs/dbraw/zinc/95/31/45/721953145.db2.gz OVPRZXKCLKFVPK-VQTJNVASSA-N 1 0 412.538 1.704 20 0 HDADRO Cc1ccc(N(c2ccnc(N3CCN(C)CC3)n2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959043 722025310 /nfs/dbraw/zinc/02/53/10/722025310.db2.gz HOJXUYZMSGOYSA-XMSQKQJNSA-N 1 0 424.553 1.376 20 0 HDADRO CN1CCN(c2nccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)n2)CC1 ZINC001164958162 722051253 /nfs/dbraw/zinc/05/12/53/722051253.db2.gz DFSSBQAKHNYDMI-DBXWQHBBSA-N 1 0 409.538 1.529 20 0 HDADRO c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(N5CCOCC5)ncn4)CC[C@H]3C2)c1 ZINC001164982800 722102848 /nfs/dbraw/zinc/10/28/48/722102848.db2.gz PDBYXZDMJJFLCC-PMACEKPBSA-N 1 0 410.522 1.436 20 0 HDADRO COC(=O)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1OC ZINC001164978197 722103857 /nfs/dbraw/zinc/10/38/57/722103857.db2.gz GDNZEGXEKQASLC-FXAWDEMLSA-N 1 0 412.490 1.999 20 0 HDADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@H]3C2)c1 ZINC001164981042 722128803 /nfs/dbraw/zinc/12/88/03/722128803.db2.gz SEQDDBITKPTWGQ-VQTJNVASSA-N 1 0 410.522 1.436 20 0 HDADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccnc(N5CCOCC5)n4)CC[C@@H]3C2)c1 ZINC001164981044 722129207 /nfs/dbraw/zinc/12/92/07/722129207.db2.gz SEQDDBITKPTWGQ-WOJBJXKFSA-N 1 0 410.522 1.436 20 0 HDADRO CC1(C)C(=O)Nc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164979674 722136920 /nfs/dbraw/zinc/13/69/20/722136920.db2.gz LSOLBWBAHKUSFN-IAGOWNOFSA-N 1 0 408.506 1.829 20 0 HDADRO O=c1ccccn1-c1nccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984171 722145685 /nfs/dbraw/zinc/14/56/85/722145685.db2.gz VZGLUORVFBXXCA-PMACEKPBSA-N 1 0 418.501 1.750 20 0 HDADRO Cc1nc(-n2cncn2)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979730 722152023 /nfs/dbraw/zinc/15/20/23/722152023.db2.gz LVDILHCNFYSZSY-RBUKOAKNSA-N 1 0 406.494 1.488 20 0 HDADRO Cc1nc(-n2cncn2)cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979729 722152081 /nfs/dbraw/zinc/15/20/81/722152081.db2.gz LVDILHCNFYSZSY-OALUTQOASA-N 1 0 406.494 1.488 20 0 HDADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C5C[NH2+]C5)ncn4)CC[C@H]32)cs1 ZINC001164988103 722186751 /nfs/dbraw/zinc/18/67/51/722186751.db2.gz LPIBNLKBTKXCMO-RTBURBONSA-N 1 0 400.552 1.798 20 0 HDADRO CON(C)C(=O)c1cccnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002882 722255147 /nfs/dbraw/zinc/25/51/47/722255147.db2.gz VWJADHICHPMXQQ-UHFFFAOYSA-N 1 0 402.499 1.400 20 0 HDADRO COC(=O)c1nc(Cl)cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165003672 722257266 /nfs/dbraw/zinc/25/72/66/722257266.db2.gz GANMYSAVAYKKBX-UHFFFAOYSA-N 1 0 408.890 1.602 20 0 HDADRO O=C([O-])[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000780494547 939128711 /nfs/dbraw/zinc/12/87/11/939128711.db2.gz HHGNYGLCJDARAO-LJQANCHMSA-N 1 0 403.527 1.926 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)NCCN2Cc3ccccc3C2)Cc2ccccc2C1 ZINC000671395512 1073472327 /nfs/dbraw/zinc/47/23/27/1073472327.db2.gz XHKMSHAWPZFXJC-UHFFFAOYSA-N 1 0 406.530 1.334 20 0 HDADRO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnco2)C3)CC1 ZINC001004543234 1073472397 /nfs/dbraw/zinc/47/23/97/1073472397.db2.gz NSSYWSNNNXIHRF-RXYDEIHYSA-N 1 0 402.495 1.283 20 0 HDADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)C3)CC[N@@H+]1C ZINC001004552579 1073481171 /nfs/dbraw/zinc/48/11/71/1073481171.db2.gz NOPABTIRCJNSAE-ILOCAZANSA-N 1 0 400.523 1.996 20 0 HDADRO CCOC(=O)C1CCC(O)(C[NH+]2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CC1 ZINC000429055019 1073482609 /nfs/dbraw/zinc/48/26/09/1073482609.db2.gz RYCJNPLTSOIMLH-LYGNXSNRSA-N 1 0 409.571 1.536 20 0 HDADRO CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000509093737 1073509799 /nfs/dbraw/zinc/50/97/99/1073509799.db2.gz JIVHWOFGHOTXFS-YWZLYKJASA-N 1 0 402.539 1.916 20 0 HDADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000671406391 1073526289 /nfs/dbraw/zinc/52/62/89/1073526289.db2.gz DVPNJVGKRMRLSQ-NTDBWNAOSA-N 1 0 406.571 1.376 20 0 HDADRO CCn1c(=O)[nH]c2cc(C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)ccc2c1=O ZINC000625182666 1073550280 /nfs/dbraw/zinc/55/02/80/1073550280.db2.gz KMRRDCZYUPZTMX-INIZCTEOSA-N 1 0 400.479 1.449 20 0 HDADRO Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cc1S(N)(=O)=O ZINC000673651068 1073555411 /nfs/dbraw/zinc/55/54/11/1073555411.db2.gz KTPCADCGHPRIKY-UHFFFAOYSA-N 1 0 404.492 1.785 20 0 HDADRO CC(C)[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)CC1 ZINC001004706640 1073555888 /nfs/dbraw/zinc/55/58/88/1073555888.db2.gz ZSHQYCWJNSOBOC-UJCQGIJZSA-N 1 0 401.551 1.778 20 0 HDADRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3cccc(CS(N)(=O)=O)c3)c2)CC1 ZINC000673656760 1073592731 /nfs/dbraw/zinc/59/27/31/1073592731.db2.gz RWGMUIWCPRQGLG-UHFFFAOYSA-N 1 0 416.547 1.153 20 0 HDADRO COC(=O)Nc1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1F ZINC000766018298 1073620223 /nfs/dbraw/zinc/62/02/23/1073620223.db2.gz DLEFDINOSKGPHT-INIZCTEOSA-N 1 0 407.446 1.774 20 0 HDADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000673668655 1073621810 /nfs/dbraw/zinc/62/18/10/1073621810.db2.gz PWGQGTYAZVFWLE-KRWDZBQOSA-N 1 0 400.523 1.516 20 0 HDADRO CN(c1ccc(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1)S(C)(=O)=O ZINC000673669381 1073622350 /nfs/dbraw/zinc/62/23/50/1073622350.db2.gz JBGAPZOSGKNBTI-OAQYLSRUSA-N 1 0 417.531 1.336 20 0 HDADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000673668972 1073623146 /nfs/dbraw/zinc/62/31/46/1073623146.db2.gz UPSXPDSCQXQRIO-GOSISDBHSA-N 1 0 422.533 1.088 20 0 HDADRO NS(=O)(=O)c1ccc2c(c1)N(C(=O)CC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000673672483 1073626935 /nfs/dbraw/zinc/62/69/35/1073626935.db2.gz IMIRQHPVTRVOEC-UHFFFAOYSA-N 1 0 414.531 1.435 20 0 HDADRO CC(C)(NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673673192 1073628722 /nfs/dbraw/zinc/62/87/22/1073628722.db2.gz RRNRBTHZKUKNTK-GOSISDBHSA-N 1 0 403.527 1.109 20 0 HDADRO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000673707351 1073646346 /nfs/dbraw/zinc/64/63/46/1073646346.db2.gz UUVNNYPIEIJUTG-VSKRKVRLSA-N 1 0 416.566 1.921 20 0 HDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673707203 1073646938 /nfs/dbraw/zinc/64/69/38/1073646938.db2.gz OUZHJVRQLPYTQR-ZDUSSCGKSA-N 1 0 421.489 1.710 20 0 HDADRO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000673716690 1073648805 /nfs/dbraw/zinc/64/88/05/1073648805.db2.gz YVJHCMCFSKNYOR-QFBILLFUSA-N 1 0 416.547 1.867 20 0 HDADRO C[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000673713171 1073652778 /nfs/dbraw/zinc/65/27/78/1073652778.db2.gz JYDWAOUBULSNRD-QUCCMNQESA-N 1 0 405.506 1.741 20 0 HDADRO O=C(C[NH2+][C@H](Cn1cccn1)c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000673714314 1073653358 /nfs/dbraw/zinc/65/33/58/1073653358.db2.gz STVXNVLOQXYCTM-LJQANCHMSA-N 1 0 407.474 1.792 20 0 HDADRO COCC[NH+]1CCC(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 ZINC000303069383 1073658952 /nfs/dbraw/zinc/65/89/52/1073658952.db2.gz WQUVTVRPJKVRHF-UHFFFAOYSA-N 1 0 423.311 1.386 20 0 HDADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766023401 1073670429 /nfs/dbraw/zinc/67/04/29/1073670429.db2.gz MRQWOBRYVSQCGJ-RDJZCZTQSA-N 1 0 417.522 1.740 20 0 HDADRO C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)COCc1ccccc1 ZINC000671422280 1073672476 /nfs/dbraw/zinc/67/24/76/1073672476.db2.gz LFPUMIGPTLVLAE-PZJWPPBQSA-N 1 0 416.566 1.194 20 0 HDADRO O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000429119101 1073674421 /nfs/dbraw/zinc/67/44/21/1073674421.db2.gz VBGCRGFXLGNFOJ-UHFFFAOYSA-N 1 0 422.489 2.294 20 0 HDADRO COCCS(=O)(=O)c1ccc(CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000429121343 1073688822 /nfs/dbraw/zinc/68/88/22/1073688822.db2.gz FXVOISMXBCYKJN-INIZCTEOSA-N 1 0 411.568 1.978 20 0 HDADRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 ZINC000673760973 1073701252 /nfs/dbraw/zinc/70/12/52/1073701252.db2.gz HUHROUABDPVGBN-UHFFFAOYSA-N 1 0 418.586 1.750 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000509136960 1073701715 /nfs/dbraw/zinc/70/17/15/1073701715.db2.gz JUCHYWGOTNEHRE-BJZITVGISA-N 1 0 407.946 1.547 20 0 HDADRO C[NH+](C)CCOC1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000429125595 1073703363 /nfs/dbraw/zinc/70/33/63/1073703363.db2.gz CPJRAPIZDOORLB-UHFFFAOYSA-N 1 0 417.959 1.996 20 0 HDADRO CCN(CCCNC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C)S(C)(=O)=O ZINC000673772253 1073704561 /nfs/dbraw/zinc/70/45/61/1073704561.db2.gz UDCJYXISWXMWRG-SFHVURJKSA-N 1 0 410.584 1.964 20 0 HDADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000673780730 1073715598 /nfs/dbraw/zinc/71/55/98/1073715598.db2.gz AIKYDXMLCLPDME-MRXNPFEDSA-N 1 0 417.963 1.076 20 0 HDADRO Cc1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)c(OCC[NH+](C)C)c1 ZINC000673781619 1073715760 /nfs/dbraw/zinc/71/57/60/1073715760.db2.gz BQSWQSJFYJEFPW-GOSISDBHSA-N 1 0 418.538 1.197 20 0 HDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673783357 1073721634 /nfs/dbraw/zinc/72/16/34/1073721634.db2.gz SZQRPJDEPVLECZ-QGZVFWFLSA-N 1 0 404.511 1.019 20 0 HDADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000673785074 1073729940 /nfs/dbraw/zinc/72/99/40/1073729940.db2.gz NKPCFCUJBDPGNS-FQEVSTJZSA-N 1 0 402.539 1.790 20 0 HDADRO CCS(=O)(=O)N1CC(CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000429133030 1073736645 /nfs/dbraw/zinc/73/66/45/1073736645.db2.gz GNXRFKVYOHQLRD-HNNXBMFYSA-N 1 0 414.597 1.541 20 0 HDADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)[N@H+](C)Cc1ccccc1 ZINC000673789175 1073744172 /nfs/dbraw/zinc/74/41/72/1073744172.db2.gz PMSAAFPUKFYEIB-INIZCTEOSA-N 1 0 408.502 1.938 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCN3c3ncccn3)cc2)C1 ZINC000673816388 1073760812 /nfs/dbraw/zinc/76/08/12/1073760812.db2.gz CYPVJBWJCRRFRY-HKUYNNGSSA-N 1 0 408.506 1.781 20 0 HDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000673817286 1073772554 /nfs/dbraw/zinc/77/25/54/1073772554.db2.gz RDIHRACWGBWNTO-VQTJNVASSA-N 1 0 402.514 1.731 20 0 HDADRO C[C@@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000429151570 1073787817 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LRWFRCOXUBSJOO-UHFFFAOYSA-N 1 0 403.570 1.112 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000673839861 1073805613 /nfs/dbraw/zinc/80/56/13/1073805613.db2.gz HDODZXYCFAVNQN-RTWAWAEBSA-N 1 0 404.530 1.313 20 0 HDADRO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N(C)CCCC[NH+](C)C)CCCC1 ZINC000673841814 1073807351 /nfs/dbraw/zinc/80/73/51/1073807351.db2.gz HXIAWVKBFLQISJ-UHFFFAOYSA-N 1 0 400.545 1.683 20 0 HDADRO CN(C)c1nc(CNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000673850840 1073817242 /nfs/dbraw/zinc/81/72/42/1073817242.db2.gz PFLNAZICGBNZEV-UHFFFAOYSA-N 1 0 402.568 1.826 20 0 HDADRO NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673860646 1073827785 /nfs/dbraw/zinc/82/77/85/1073827785.db2.gz HLGUHFKSHBFSJQ-IBGZPJMESA-N 1 0 405.462 1.643 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)cn1 ZINC000673869643 1073833600 /nfs/dbraw/zinc/83/36/00/1073833600.db2.gz SUCPMNLSHWLJOV-UHFFFAOYSA-N 1 0 420.539 1.373 20 0 HDADRO NC(=O)c1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1F ZINC000673875735 1073841912 /nfs/dbraw/zinc/84/19/12/1073841912.db2.gz DSGXYLGPXKXTGI-BEFAXECRSA-N 1 0 400.454 1.929 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)cn1 ZINC000673868662 1073846273 /nfs/dbraw/zinc/84/62/73/1073846273.db2.gz CZEKTUPTXVTCEA-UHFFFAOYSA-N 1 0 418.473 1.339 20 0 HDADRO C[NH+](C)CCc1ccc(CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 ZINC000466547419 1073849194 /nfs/dbraw/zinc/84/91/94/1073849194.db2.gz CNNPZBQSHLQEAW-UHFFFAOYSA-N 1 0 414.510 1.168 20 0 HDADRO O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000673878773 1073849298 /nfs/dbraw/zinc/84/92/98/1073849298.db2.gz OTISUEMTWOIOBE-CTNGQTDRSA-N 1 0 410.518 1.958 20 0 HDADRO CC[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1OCC(=O)NC ZINC000673877145 1073849368 /nfs/dbraw/zinc/84/93/68/1073849368.db2.gz GHWBOYGPUPFHSV-LJQANCHMSA-N 1 0 418.538 1.769 20 0 HDADRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000543497598 1073849809 /nfs/dbraw/zinc/84/98/09/1073849809.db2.gz UKPWQVLBOOMISB-KDOFPFPSSA-N 1 0 424.567 1.678 20 0 HDADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@@H](CC(N)=O)C3CCOCC3)cs2)cc1 ZINC000543498270 1073857925 /nfs/dbraw/zinc/85/79/25/1073857925.db2.gz VEOBYLXJJFLYSK-KRWDZBQOSA-N 1 0 423.560 1.974 20 0 HDADRO COc1ccc([C@H]2CCCN2C(=O)CN2CC[NH+](C(C)(C)CO)CC2)c(OC)c1 ZINC000673896805 1073866735 /nfs/dbraw/zinc/86/67/35/1073866735.db2.gz YYJOBXITPYFBFF-LJQANCHMSA-N 1 0 405.539 1.756 20 0 HDADRO CC(C)(CO)[NH+]1CCN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000673895907 1073867153 /nfs/dbraw/zinc/86/71/53/1073867153.db2.gz MUOOYPVFUGSAOZ-UHFFFAOYSA-N 1 0 408.974 1.373 20 0 HDADRO COCCN(C(=O)C[NH2+][C@H](C)[C@@H]1OCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000429158237 1073868362 /nfs/dbraw/zinc/86/83/62/1073868362.db2.gz CIXIAJQXPQTLNS-LBTNJELSSA-N 1 0 416.565 1.002 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000509164517 1073868843 /nfs/dbraw/zinc/86/88/43/1073868843.db2.gz OYQWJLNSQVJVBJ-JKSUJKDBSA-N 1 0 417.597 1.868 20 0 HDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NOCc1ccccn1 ZINC001626091124 1073869683 /nfs/dbraw/zinc/86/96/83/1073869683.db2.gz LUUNFSVPWJVXGJ-UHFFFAOYSA-N 1 0 406.508 1.482 20 0 HDADRO Cc1cnc(S(C)(=O)=O)nc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001128559501 1073881073 /nfs/dbraw/zinc/88/10/73/1073881073.db2.gz FHJVKPMAKDGMJV-CALCHBBNSA-N 1 0 400.504 1.393 20 0 HDADRO COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)C2=O)c1 ZINC000673911832 1073883352 /nfs/dbraw/zinc/88/33/52/1073883352.db2.gz GBMWIOCZQMPBNA-OXQOHEQNSA-N 1 0 416.522 1.935 20 0 HDADRO CC[C@H]1CN(C(=O)NCCNS(=O)(=O)NC(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000429163315 1073887174 /nfs/dbraw/zinc/88/71/74/1073887174.db2.gz MVHQHIVYIMUZSJ-SFHVURJKSA-N 1 0 411.572 1.125 20 0 HDADRO COc1cc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc(Cl)c1OCC(N)=O ZINC000673929559 1073898943 /nfs/dbraw/zinc/89/89/43/1073898943.db2.gz KHCRPQBWFXWMAM-CWTRNNRKSA-N 1 0 424.885 1.023 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014520915 1073901770 /nfs/dbraw/zinc/90/17/70/1073901770.db2.gz DKVDTLNSMWXXJU-UHFFFAOYSA-N 1 0 409.498 1.041 20 0 HDADRO COCCOc1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@]13NC(=O)N(C)C3=O)OCO2 ZINC000673931670 1073903589 /nfs/dbraw/zinc/90/35/89/1073903589.db2.gz UYMLJIHIPXZRIG-XOBRGWDASA-N 1 0 405.451 1.251 20 0 HDADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCCOC1 ZINC000543506721 1073910122 /nfs/dbraw/zinc/91/01/22/1073910122.db2.gz FXRHXKYGAVPTAC-CHWSQXEVSA-N 1 0 403.932 1.934 20 0 HDADRO CC(C)N(CCCNC(=O)C[NH2+][C@H](C)[C@@H]1OCCc2sccc21)S(C)(=O)=O ZINC000429168293 1073914501 /nfs/dbraw/zinc/91/45/01/1073914501.db2.gz OOVJYBXNBRLJRR-KDOFPFPSSA-N 1 0 417.597 1.516 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000670438541 1073956140 /nfs/dbraw/zinc/95/61/40/1073956140.db2.gz NKRGQCBYJSRGML-YLJYHZDGSA-N 1 0 412.534 1.237 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000509183039 1073959680 /nfs/dbraw/zinc/95/96/80/1073959680.db2.gz JJSWDTCQMMVNKN-INIZCTEOSA-N 1 0 414.506 1.157 20 0 HDADRO Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000543523430 1073981865 /nfs/dbraw/zinc/98/18/65/1073981865.db2.gz VIMPNTCKXNKLJL-INIZCTEOSA-N 1 0 415.450 1.011 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(CC(=O)NC[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000543520994 1073988353 /nfs/dbraw/zinc/98/83/53/1073988353.db2.gz ISSGNDIIEKPWTN-IBGZPJMESA-N 1 0 416.566 1.292 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000429183681 1073993102 /nfs/dbraw/zinc/99/31/02/1073993102.db2.gz PCWYKQNSQARGDU-SFHVURJKSA-N 1 0 411.572 1.125 20 0 HDADRO CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000509187982 1073994588 /nfs/dbraw/zinc/99/45/88/1073994588.db2.gz YLLUIMWELGAZRH-ROUUACIJSA-N 1 0 400.527 1.844 20 0 HDADRO CCn1cnnc1-c1ccccc1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000543524395 1073995074 /nfs/dbraw/zinc/99/50/74/1073995074.db2.gz NLASNLIYCXSXQS-UHFFFAOYSA-N 1 0 414.510 1.209 20 0 HDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001005048992 1073996852 /nfs/dbraw/zinc/99/68/52/1073996852.db2.gz HFPMPYHLMDJDHY-LUGRNRNJSA-N 1 0 410.474 1.248 20 0 HDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N(C)Cc1cccnc1 ZINC000543529027 1074009324 /nfs/dbraw/zinc/00/93/24/1074009324.db2.gz TZZVSZVTBIUSAY-UHFFFAOYSA-N 1 0 411.506 1.829 20 0 HDADRO O=C(CCc1ccc(Br)cc1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673990555 1074009817 /nfs/dbraw/zinc/00/98/17/1074009817.db2.gz HPYKZCIELOJSBU-GOSISDBHSA-N 1 0 410.356 1.904 20 0 HDADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@@H](NC(=O)NC)C2)cc1OC ZINC000466583116 1074022698 /nfs/dbraw/zinc/02/26/98/1074022698.db2.gz DFLUEDGVYUBBGZ-QGZVFWFLSA-N 1 0 421.542 1.629 20 0 HDADRO CN1CCOC[C@H]1C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000509192319 1074027921 /nfs/dbraw/zinc/02/79/21/1074027921.db2.gz BDHPANGVUBXFLH-QFIPXVFZSA-N 1 0 409.534 1.715 20 0 HDADRO CC(C)(C)N1C[C@@H](NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000429190085 1074030093 /nfs/dbraw/zinc/03/00/93/1074030093.db2.gz MCUDUIDVKRMJQH-IBGZPJMESA-N 1 0 401.555 1.503 20 0 HDADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466584160 1074031211 /nfs/dbraw/zinc/03/12/11/1074031211.db2.gz HHCBJDGDLXNCHJ-CVEARBPZSA-N 1 0 411.428 1.699 20 0 HDADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000543533971 1074035374 /nfs/dbraw/zinc/03/53/74/1074035374.db2.gz KTVSZUCIHHYIJK-UHFFFAOYSA-N 1 0 414.506 1.247 20 0 HDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000543536477 1074038002 /nfs/dbraw/zinc/03/80/02/1074038002.db2.gz ODPOVZFEKUBDEM-HNNXBMFYSA-N 1 0 422.551 1.184 20 0 HDADRO C[NH+](C)C1CN(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000543535961 1074038652 /nfs/dbraw/zinc/03/86/52/1074038652.db2.gz NHAIRRQSIRXJQE-UHFFFAOYSA-N 1 0 402.904 1.139 20 0 HDADRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000543535675 1074039074 /nfs/dbraw/zinc/03/90/74/1074039074.db2.gz ALIGAEXXHLFSMN-QZTJIDSGSA-N 1 0 417.554 1.916 20 0 HDADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CNS(=O)(=O)c1ccccc1N ZINC000670452839 1074056684 /nfs/dbraw/zinc/05/66/84/1074056684.db2.gz DFAOVWVIUBJZFU-UHFFFAOYSA-N 1 0 417.535 1.246 20 0 HDADRO C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000466598530 1074061502 /nfs/dbraw/zinc/06/15/02/1074061502.db2.gz RONWYKYALJGILM-HLAWJBBLSA-N 1 0 414.550 1.896 20 0 HDADRO C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000466598532 1074061753 /nfs/dbraw/zinc/06/17/53/1074061753.db2.gz RONWYKYALJGILM-NRSPTQNISA-N 1 0 414.550 1.896 20 0 HDADRO CCc1cc(N2CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)CC2)ncn1 ZINC000674015745 1074072895 /nfs/dbraw/zinc/07/28/95/1074072895.db2.gz ZBUIZXOCWWAMCT-UHFFFAOYSA-N 1 0 404.559 1.170 20 0 HDADRO C[C@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1COc2ccccc21 ZINC000543555491 1074082614 /nfs/dbraw/zinc/08/26/14/1074082614.db2.gz TYVHXJLTFZZQJF-ZMMAXQRCSA-N 1 0 422.547 1.335 20 0 HDADRO C[C@@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000509202539 1074087728 /nfs/dbraw/zinc/08/77/28/1074087728.db2.gz KFALDUFHVFMHAO-RISCZKNCSA-N 1 0 409.449 1.890 20 0 HDADRO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000766054355 1074092862 /nfs/dbraw/zinc/09/28/62/1074092862.db2.gz USXMCNBPPWZRNE-MQNRADLISA-N 1 0 402.582 1.905 20 0 HDADRO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000766054353 1074092968 /nfs/dbraw/zinc/09/29/68/1074092968.db2.gz USXMCNBPPWZRNE-BZQUYTCOSA-N 1 0 402.582 1.905 20 0 HDADRO C[C@@H](NC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C1CC[NH+](C)CC1 ZINC000674026118 1074093280 /nfs/dbraw/zinc/09/32/80/1074093280.db2.gz SVXZGFLQKIUHLI-BZUAXINKSA-N 1 0 406.531 1.371 20 0 HDADRO C[C@@H](NC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C1CC[NH+](C)CC1 ZINC000674026120 1074093284 /nfs/dbraw/zinc/09/32/84/1074093284.db2.gz SVXZGFLQKIUHLI-OWCLPIDISA-N 1 0 406.531 1.371 20 0 HDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)C[C@@H]1C ZINC000543556575 1074096193 /nfs/dbraw/zinc/09/61/93/1074096193.db2.gz FSQAXMPAKAKGFZ-HOTGVXAUSA-N 1 0 416.522 1.492 20 0 HDADRO CC[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1OCC(=O)NC ZINC000674029560 1074097406 /nfs/dbraw/zinc/09/74/06/1074097406.db2.gz RRWPWHHQXOKFKT-IBGZPJMESA-N 1 0 419.570 1.588 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000509205720 1074099504 /nfs/dbraw/zinc/09/95/04/1074099504.db2.gz NNBRYXQFTKWAPJ-MAUKXSAKSA-N 1 0 415.581 1.432 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000429206329 1074103756 /nfs/dbraw/zinc/10/37/56/1074103756.db2.gz UAOFVZRYKLSNKL-UHFFFAOYSA-N 1 0 411.572 1.669 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000674034056 1074105147 /nfs/dbraw/zinc/10/51/47/1074105147.db2.gz RZZBORNMMIBMGZ-QAPCUYQASA-N 1 0 406.531 1.056 20 0 HDADRO CCn1c(N)c(C(=O)C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O ZINC000543560009 1074106650 /nfs/dbraw/zinc/10/66/50/1074106650.db2.gz WFJZGQSJJPGABW-GOEBONIOSA-N 1 0 404.442 1.725 20 0 HDADRO NS(=O)(=O)c1cccc(NC(=O)CCN2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000164371681 1074107350 /nfs/dbraw/zinc/10/73/50/1074107350.db2.gz UEWDKADJANBULC-UHFFFAOYSA-N 1 0 416.547 1.871 20 0 HDADRO C[NH+](C)CCCOC1CCN(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000674032491 1074107777 /nfs/dbraw/zinc/10/77/77/1074107777.db2.gz NAELBMGCJLPHDN-UHFFFAOYSA-N 1 0 418.604 1.381 20 0 HDADRO CC(C)(CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)[NH+]1CCCCC1 ZINC000543562238 1074118290 /nfs/dbraw/zinc/11/82/90/1074118290.db2.gz JELAIRIYSISHKK-UHFFFAOYSA-N 1 0 422.551 1.328 20 0 HDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)cc1Cl ZINC000674042551 1074128342 /nfs/dbraw/zinc/12/83/42/1074128342.db2.gz ZJFBTAFICRUWRG-UHFFFAOYSA-N 1 0 419.931 1.158 20 0 HDADRO O=C(CN1[C@@H]2CC[C@H]1CNC(=O)C2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000674047001 1074139706 /nfs/dbraw/zinc/13/97/06/1074139706.db2.gz GZMHJOMTVPBETF-GJYPPUQNSA-N 1 0 404.942 1.946 20 0 HDADRO O=C(CN1[C@@H]2CC[C@H]1CNC(=O)C2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000674047002 1074140382 /nfs/dbraw/zinc/14/03/82/1074140382.db2.gz GZMHJOMTVPBETF-JTDSTZFVSA-N 1 0 404.942 1.946 20 0 HDADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000674049172 1074143105 /nfs/dbraw/zinc/14/31/05/1074143105.db2.gz KHFCOROIXNGBAP-MDNUFGMLSA-N 1 0 402.583 1.445 20 0 HDADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000674049174 1074143574 /nfs/dbraw/zinc/14/35/74/1074143574.db2.gz KHFCOROIXNGBAP-PMVMPFDFSA-N 1 0 402.583 1.445 20 0 HDADRO CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)c(C)c1 ZINC000509214502 1074156664 /nfs/dbraw/zinc/15/66/64/1074156664.db2.gz XNEIPHXRBMCWLH-UHFFFAOYSA-N 1 0 403.527 1.763 20 0 HDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)C1 ZINC000543580927 1074170165 /nfs/dbraw/zinc/17/01/65/1074170165.db2.gz VRUJEEHKSKKEIN-SJORKVTESA-N 1 0 410.584 1.907 20 0 HDADRO COc1cc2cc(C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)[nH]c2c(OC)c1OC ZINC000674131925 1074187210 /nfs/dbraw/zinc/18/72/10/1074187210.db2.gz KCQPKNPHUGKLCP-CQSZACIVSA-N 1 0 403.479 1.988 20 0 HDADRO COCC(=O)NC1CCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000674181498 1074200107 /nfs/dbraw/zinc/20/01/07/1074200107.db2.gz CSQYMGMQEYRQNN-UHFFFAOYSA-N 1 0 418.538 1.080 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000674168695 1074201076 /nfs/dbraw/zinc/20/10/76/1074201076.db2.gz HJPBNGBUZKDPBR-NZSAHSFTSA-N 1 0 408.568 1.620 20 0 HDADRO Cc1ccc([C@H](CNC(=O)CNS(=O)(=O)c2ccccc2N)[NH+]2CCCC2)cc1 ZINC000670467634 1074201106 /nfs/dbraw/zinc/20/11/06/1074201106.db2.gz KYGHSGYZGOQYIY-IBGZPJMESA-N 1 0 416.547 1.809 20 0 HDADRO C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)c2)CC1 ZINC000674197641 1074212803 /nfs/dbraw/zinc/21/28/03/1074212803.db2.gz BFIWDSLEKCSVLZ-GOSISDBHSA-N 1 0 410.522 1.502 20 0 HDADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000674199267 1074230820 /nfs/dbraw/zinc/23/08/20/1074230820.db2.gz OLFKUUIWLWHBPY-HNNXBMFYSA-N 1 0 412.494 1.645 20 0 HDADRO CC(=O)N(C)C1CCN(C(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000674200590 1074231588 /nfs/dbraw/zinc/23/15/88/1074231588.db2.gz YFAKJEHBXIEXMN-UHFFFAOYSA-N 1 0 404.511 1.425 20 0 HDADRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1=O ZINC000674222919 1074232079 /nfs/dbraw/zinc/23/20/79/1074232079.db2.gz AGSHPHOIOSNXOT-KYJSFNMBSA-N 1 0 402.495 1.081 20 0 HDADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001545674891 1074232085 /nfs/dbraw/zinc/23/20/85/1074232085.db2.gz MYXXCGAPSUXWGB-FUHWJXTLSA-N 1 0 420.583 1.618 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000674226313 1074234296 /nfs/dbraw/zinc/23/42/96/1074234296.db2.gz PPJDMRDVXLILGC-YJBOKZPZSA-N 1 0 422.485 1.983 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000674229431 1074236009 /nfs/dbraw/zinc/23/60/09/1074236009.db2.gz ZSBFACASQHSWCU-GOSISDBHSA-N 1 0 418.538 1.136 20 0 HDADRO C[N@@H+]1CC[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@H]1c1ccccc1 ZINC000429224609 1074245841 /nfs/dbraw/zinc/24/58/41/1074245841.db2.gz YJPKBDGWXOEELV-AUUYWEPGSA-N 1 0 408.462 1.944 20 0 HDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)C2)CC1 ZINC000674274378 1074254439 /nfs/dbraw/zinc/25/44/39/1074254439.db2.gz OLDFMKBSYSCDRP-NQIIRXRSSA-N 1 0 408.587 1.915 20 0 HDADRO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000674298783 1074262933 /nfs/dbraw/zinc/26/29/33/1074262933.db2.gz CUFAGFMBLMACSW-KZNAEPCWSA-N 1 0 406.914 1.686 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2csc(-c3ncccn3)n2)CC1 ZINC000674310186 1074267488 /nfs/dbraw/zinc/26/74/88/1074267488.db2.gz ZAKNOGDCOWCLBL-UHFFFAOYSA-N 1 0 416.551 1.957 20 0 HDADRO COC1CC[NH+](CCNC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC1 ZINC000674309588 1074267996 /nfs/dbraw/zinc/26/79/96/1074267996.db2.gz CGKVRSDEELRBAQ-KRWDZBQOSA-N 1 0 423.579 1.948 20 0 HDADRO COC1CC[NH+](CCNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000674309801 1074268044 /nfs/dbraw/zinc/26/80/44/1074268044.db2.gz MBNMUHBNXRYVLQ-UHFFFAOYSA-N 1 0 415.581 1.302 20 0 HDADRO COc1ccc(Br)c(NC(=O)C(=O)NCC[NH+]2CCC(OC)CC2)c1 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404.511 1.206 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N(CCO)CCc2ccccc2)CC1 ZINC000674330158 1074279158 /nfs/dbraw/zinc/27/91/58/1074279158.db2.gz BATLOPMWRHMHFE-UHFFFAOYSA-N 1 0 418.582 1.860 20 0 HDADRO Cc1cc(NC(=O)NCc2cccc(CS(N)(=O)=O)c2)n(C2CC[NH+](C)CC2)n1 ZINC000674318993 1074279975 /nfs/dbraw/zinc/27/99/75/1074279975.db2.gz LLMJJYSMCIIQQQ-UHFFFAOYSA-N 1 0 420.539 1.568 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000674320177 1074280399 /nfs/dbraw/zinc/28/03/99/1074280399.db2.gz DMQIVDMCISALRH-UHFFFAOYSA-N 1 0 403.479 1.894 20 0 HDADRO Cc1ccc2c(c1)N(C(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CC2 ZINC000674319984 1074280858 /nfs/dbraw/zinc/28/08/58/1074280858.db2.gz BKFPRWWESUYSAG-UHFFFAOYSA-N 1 0 414.550 1.627 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CC1 ZINC000674321073 1074281988 /nfs/dbraw/zinc/28/19/88/1074281988.db2.gz OBGZRFMPLVDYOI-UHFFFAOYSA-N 1 0 414.462 1.697 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(Sc3nccn3C)cc2)CC1 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CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](c3ccccc3)[NH+](CC)CC)CCN2C1=O ZINC000675084354 1074700388 /nfs/dbraw/zinc/70/03/88/1074700388.db2.gz UVYAWUDVOXZLSD-QZTJIDSGSA-N 1 0 401.511 1.747 20 0 HDADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000467680009 1074702019 /nfs/dbraw/zinc/70/20/19/1074702019.db2.gz FYYFWRUZBZGMAT-KDURUIRLSA-N 1 0 414.506 1.829 20 0 HDADRO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000675087116 1074705076 /nfs/dbraw/zinc/70/50/76/1074705076.db2.gz HGPNOUXLLYFCPE-GOSISDBHSA-N 1 0 405.543 1.696 20 0 HDADRO CCC(=O)N[C@@H](C)C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001128942907 1074705920 /nfs/dbraw/zinc/70/59/20/1074705920.db2.gz JESYURNOXQEUJF-SFHVURJKSA-N 1 0 402.539 1.389 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000477029285 1074717331 /nfs/dbraw/zinc/71/73/31/1074717331.db2.gz AVONXRBLLXCKHX-MRXNPFEDSA-N 1 0 420.529 1.527 20 0 HDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101827 1074718003 /nfs/dbraw/zinc/71/80/03/1074718003.db2.gz APXAGMSDHTZARH-CVEARBPZSA-N 1 0 406.962 1.781 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nn1[C@@H](C)C1CC1 ZINC000542347143 1074724329 /nfs/dbraw/zinc/72/43/29/1074724329.db2.gz HTYLMDZNGIVDQN-PKOBYXMFSA-N 1 0 416.570 1.728 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)nn1[C@H](C)C1CC1 ZINC000542347140 1074727705 /nfs/dbraw/zinc/72/77/05/1074727705.db2.gz HTYLMDZNGIVDQN-MJGOQNOKSA-N 1 0 416.570 1.728 20 0 HDADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2cc(Cl)c(Cl)cn2)cn1 ZINC000466664431 1074728101 /nfs/dbraw/zinc/72/81/01/1074728101.db2.gz BKGJLTCJXRBJSU-UHFFFAOYSA-N 1 0 400.270 1.907 20 0 HDADRO COc1ccc(C(=O)CC[NH+]2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 ZINC000509311134 1074731348 /nfs/dbraw/zinc/73/13/48/1074731348.db2.gz SVIBGGLBXJXPIF-UHFFFAOYSA-N 1 0 401.507 1.704 20 0 HDADRO CC[C@@H]1Oc2cc([C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC)ccc2NC1=O ZINC000477033288 1074734551 /nfs/dbraw/zinc/73/45/51/1074734551.db2.gz LZVXPXINGYJYKQ-CPUCHLNUSA-N 1 0 404.511 1.820 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)nn1[C@@H](C)C1CC1 ZINC000542290866 1074737327 /nfs/dbraw/zinc/73/73/27/1074737327.db2.gz XTPOAEBELVHPKJ-HOTGVXAUSA-N 1 0 403.527 1.718 20 0 HDADRO COc1ccccc1OCCN(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501611958 1074738082 /nfs/dbraw/zinc/73/80/82/1074738082.db2.gz LIROGLIVYPLQRK-KRWDZBQOSA-N 1 0 419.522 1.150 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000477034901 1074740577 /nfs/dbraw/zinc/74/05/77/1074740577.db2.gz PVQUESMQQBVBAB-INIZCTEOSA-N 1 0 406.502 1.347 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000477035891 1074741257 /nfs/dbraw/zinc/74/12/57/1074741257.db2.gz SRQZDBWGRQUPLB-MRXNPFEDSA-N 1 0 408.518 1.325 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000675147308 1074744407 /nfs/dbraw/zinc/74/44/07/1074744407.db2.gz RARIGLAKRFWASQ-DOTOQJQBSA-N 1 0 403.504 1.492 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCC2)nn1CCCOc1ccc(F)cc1 ZINC000504034093 1074746652 /nfs/dbraw/zinc/74/66/52/1074746652.db2.gz VUFXDONIAGSIAL-UHFFFAOYSA-N 1 0 417.485 1.950 20 0 HDADRO C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675189833 1074752243 /nfs/dbraw/zinc/75/22/43/1074752243.db2.gz DCECIUAHWLMGNH-RDJZCZTQSA-N 1 0 408.493 2.000 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(C(N)=O)cc3)CC[C@@H]21 ZINC000766097530 1074753655 /nfs/dbraw/zinc/75/36/55/1074753655.db2.gz MGBQSUUGHZLJAF-BYLBRLCDSA-N 1 0 424.545 1.732 20 0 HDADRO C[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000766096814 1074754104 /nfs/dbraw/zinc/75/41/04/1074754104.db2.gz IFSJRTVCNLDYDM-ILXRZTDVSA-N 1 0 414.959 1.735 20 0 HDADRO C[C@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000429321977 1074755767 /nfs/dbraw/zinc/75/57/67/1074755767.db2.gz GUIWZOQSWMOGDF-HEHGZKQESA-N 1 0 403.504 1.362 20 0 HDADRO CCO[C@@H](C)c1noc(CN2CCN(C(=O)N[C@H](CC)C[NH+]3CCCC3)CC2)n1 ZINC000675200515 1074756070 /nfs/dbraw/zinc/75/60/70/1074756070.db2.gz UUCAEXNCOZLFRH-DLBZAZTESA-N 1 0 408.547 1.869 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)nn1CCCOc1ccc(F)cc1 ZINC000504030338 1074756345 /nfs/dbraw/zinc/75/63/45/1074756345.db2.gz IYBMOIPDRBASKB-MRXNPFEDSA-N 1 0 417.485 1.806 20 0 HDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000675221280 1074763297 /nfs/dbraw/zinc/76/32/97/1074763297.db2.gz WSPGASAOMMDXLV-MRXNPFEDSA-N 1 0 413.522 1.851 20 0 HDADRO Cc1ccn(-c2ccccc2NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)n1 ZINC000675262621 1074773568 /nfs/dbraw/zinc/77/35/68/1074773568.db2.gz GHEFXXQNKDMTRX-GOSISDBHSA-N 1 0 411.506 1.833 20 0 HDADRO Cc1ccn(-c2ccccc2NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000675263855 1074773970 /nfs/dbraw/zinc/77/39/70/1074773970.db2.gz PTHCYHLSXIHASU-SFHVURJKSA-N 1 0 410.522 1.358 20 0 HDADRO CCc1ccc(C(=O)N2CC[N@@H+](CC)C[C@H]2CC)cc1S(=O)(=O)N1CCOCC1 ZINC001128974104 1074774716 /nfs/dbraw/zinc/77/47/16/1074774716.db2.gz CXSIHABXFSRFQZ-LJQANCHMSA-N 1 0 423.579 1.826 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000477067899 1074779057 /nfs/dbraw/zinc/77/90/57/1074779057.db2.gz OGCGQTHFZDONIQ-ICSRJNTNSA-N 1 0 404.555 1.331 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000477073983 1074779749 /nfs/dbraw/zinc/77/97/49/1074779749.db2.gz WBQLFVSEYHAXCQ-MRXNPFEDSA-N 1 0 408.518 1.325 20 0 HDADRO O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000675290386 1074782618 /nfs/dbraw/zinc/78/26/18/1074782618.db2.gz MEYYLIKXVNMAQA-OALUTQOASA-N 1 0 416.497 1.130 20 0 HDADRO CCC(CC)[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000427303451 1074785815 /nfs/dbraw/zinc/78/58/15/1074785815.db2.gz AFRMIMUZODLZRU-WMZOPIPTSA-N 1 0 405.543 2.188 20 0 HDADRO CCC(CC)[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCO1 ZINC000427303448 1074785827 /nfs/dbraw/zinc/78/58/27/1074785827.db2.gz AFRMIMUZODLZRU-AEFFLSMTSA-N 1 0 405.543 2.188 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000477081855 1074789022 /nfs/dbraw/zinc/78/90/22/1074789022.db2.gz NGFIGYMTOLTJKB-QGZVFWFLSA-N 1 0 420.554 1.589 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675295058 1074789575 /nfs/dbraw/zinc/78/95/75/1074789575.db2.gz JAQGBKHHPYDBSM-CZUORRHYSA-N 1 0 408.449 1.177 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000477087380 1074790370 /nfs/dbraw/zinc/79/03/70/1074790370.db2.gz WYBKPWZNLMIPPJ-PBHICJAKSA-N 1 0 407.490 1.395 20 0 HDADRO CCC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC)C(=O)N1CCc2sccc2C1 ZINC000477096210 1074791813 /nfs/dbraw/zinc/79/18/13/1074791813.db2.gz GNPHORGRCFUFDQ-WBVHZDCISA-N 1 0 422.595 1.764 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000477096259 1074791900 /nfs/dbraw/zinc/79/19/00/1074791900.db2.gz GVYNNRIBUBZZFA-INIZCTEOSA-N 1 0 409.575 1.456 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675318211 1074797705 /nfs/dbraw/zinc/79/77/05/1074797705.db2.gz UNOBYBBWBDMZJR-WBVHZDCISA-N 1 0 406.914 1.552 20 0 HDADRO O=C(NCc1cc(Cl)c2c(c1)OCCO2)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507154797 1074800165 /nfs/dbraw/zinc/80/01/65/1074800165.db2.gz OZGJSYMGOOMALW-UHFFFAOYSA-N 1 0 413.821 1.947 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000477103902 1074802176 /nfs/dbraw/zinc/80/21/76/1074802176.db2.gz YCFZKRLRZROCOH-INIZCTEOSA-N 1 0 422.957 1.861 20 0 HDADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448491386 1074811163 /nfs/dbraw/zinc/81/11/63/1074811163.db2.gz UFRWGCCPZVICMO-UHFFFAOYSA-N 1 0 409.412 2.296 20 0 HDADRO O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448532625 1074815119 /nfs/dbraw/zinc/81/51/19/1074815119.db2.gz ZSZVGQGIYFGBDZ-UHFFFAOYSA-N 1 0 409.412 2.296 20 0 HDADRO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766109857 1074816466 /nfs/dbraw/zinc/81/64/66/1074816466.db2.gz PXYZATRRZZUXID-BLLLJJGKSA-N 1 0 418.562 1.858 20 0 HDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[C@H]21 ZINC000766112365 1074819226 /nfs/dbraw/zinc/81/92/26/1074819226.db2.gz JLFGTTFIFLJTES-LEWJYISDSA-N 1 0 414.550 1.884 20 0 HDADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000670510537 1075094124 /nfs/dbraw/zinc/09/41/24/1075094124.db2.gz IWMLBPRAKUDCEO-RTBURBONSA-N 1 0 407.555 1.698 20 0 HDADRO COC(=O)c1cc(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1C ZINC000429338562 1075104691 /nfs/dbraw/zinc/10/46/91/1075104691.db2.gz MVQZOBBUFXJVSJ-NRFANRHFSA-N 1 0 400.479 1.912 20 0 HDADRO Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)no1 ZINC000431528536 1075113866 /nfs/dbraw/zinc/11/38/66/1075113866.db2.gz NILZJECEMKYPCL-SFHVURJKSA-N 1 0 403.527 1.863 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675379838 1075119135 /nfs/dbraw/zinc/11/91/35/1075119135.db2.gz QYNRHHAUYUTYDW-GUYCJALGSA-N 1 0 422.888 1.301 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675379837 1075119232 /nfs/dbraw/zinc/11/92/32/1075119232.db2.gz QYNRHHAUYUTYDW-DYVFJYSZSA-N 1 0 422.888 1.301 20 0 HDADRO C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1CCCC1 ZINC000675389630 1075122139 /nfs/dbraw/zinc/12/21/39/1075122139.db2.gz XRLWRUOIXQKSRA-QGZVFWFLSA-N 1 0 424.904 1.691 20 0 HDADRO C[C@H](CNC(=O)C(=O)Nc1ccn([C@H](C)c2ccccc2)n1)C[NH+]1CCN(C)CC1 ZINC000675403614 1075128870 /nfs/dbraw/zinc/12/88/70/1075128870.db2.gz NCMGPWXFQFCEMU-QZTJIDSGSA-N 1 0 412.538 1.431 20 0 HDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000675413007 1075136793 /nfs/dbraw/zinc/13/67/93/1075136793.db2.gz AHTFXZQVNMZYPV-SUMWQHHRSA-N 1 0 424.904 1.690 20 0 HDADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000675413025 1075136795 /nfs/dbraw/zinc/13/67/95/1075136795.db2.gz CFXQSARRHSFZDT-INIZCTEOSA-N 1 0 410.877 1.301 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C[N@@H+]1Cc1ccccc1 ZINC000466677124 1075138153 /nfs/dbraw/zinc/13/81/53/1075138153.db2.gz CTKYUXKOLYSEDL-MAUKXSAKSA-N 1 0 421.501 1.595 20 0 HDADRO COc1ncnc(N(C)C)c1NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543626956 1075140965 /nfs/dbraw/zinc/14/09/65/1075140965.db2.gz NXMNJHBCIDQVRC-UHFFFAOYSA-N 1 0 405.547 1.433 20 0 HDADRO COCCCn1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000444509532 1075145203 /nfs/dbraw/zinc/14/52/03/1075145203.db2.gz CEZXNBRYIVCGRA-GOSISDBHSA-N 1 0 405.543 1.829 20 0 HDADRO COCCCn1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000531256313 1075146957 /nfs/dbraw/zinc/14/69/57/1075146957.db2.gz CMKOKLUQZQSGSW-INIZCTEOSA-N 1 0 407.902 1.931 20 0 HDADRO COCCCn1ccc(NC(=O)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000427476978 1075147251 /nfs/dbraw/zinc/14/72/51/1075147251.db2.gz TZBPLDREGIMTHJ-JOCHJYFZSA-N 1 0 413.522 2.029 20 0 HDADRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(CS(C)(=O)=O)CC1 ZINC000429253658 1075152098 /nfs/dbraw/zinc/15/20/98/1075152098.db2.gz KTXBLOATNDNPEL-XLIONFOSSA-N 1 0 407.580 1.522 20 0 HDADRO CCCNC(=O)c1cccc(CNC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)c1 ZINC000509339208 1075152678 /nfs/dbraw/zinc/15/26/78/1075152678.db2.gz AUFMVQMEYLYLKS-UHFFFAOYSA-N 1 0 417.554 1.522 20 0 HDADRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1(CC)CC ZINC000429347575 1075154133 /nfs/dbraw/zinc/15/41/33/1075154133.db2.gz WRFVZROIVOZPGL-DLBZAZTESA-N 1 0 413.540 1.855 20 0 HDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000675457948 1075156768 /nfs/dbraw/zinc/15/67/68/1075156768.db2.gz BHHBZTYWKKIOKN-GUYCJALGSA-N 1 0 424.904 1.501 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(c3cccc(F)c3)C[C@H]2C)C1 ZINC000429253193 1075157277 /nfs/dbraw/zinc/15/72/77/1075157277.db2.gz APDYADNZYAFEHD-WIYYLYMNSA-N 1 0 406.546 1.809 20 0 HDADRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)o1 ZINC000766140868 1075160239 /nfs/dbraw/zinc/16/02/39/1075160239.db2.gz LNZJKQLLHJAIIO-CJNGLKHVSA-N 1 0 416.521 1.698 20 0 HDADRO CCOC(=O)C(C)(C)n1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000766163055 1075162160 /nfs/dbraw/zinc/16/21/60/1075162160.db2.gz ONCBKIKHGGSBHT-KRWDZBQOSA-N 1 0 407.515 1.946 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000477591730 1075163869 /nfs/dbraw/zinc/16/38/69/1075163869.db2.gz MVLOOJAHLZCNBL-UHFFFAOYSA-N 1 0 423.448 1.941 20 0 HDADRO 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BOSWGTCFTYOGGR-INIZCTEOSA-N 1 0 400.454 1.663 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000675539137 1075195635 /nfs/dbraw/zinc/19/56/35/1075195635.db2.gz WXDKTKBLUQHAMX-JKSUJKDBSA-N 1 0 413.565 1.271 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000675538986 1075195900 /nfs/dbraw/zinc/19/59/00/1075195900.db2.gz QDGBNHWEKSGVTE-ICSRJNTNSA-N 1 0 421.563 1.599 20 0 HDADRO O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccco1 ZINC000675538808 1075196276 /nfs/dbraw/zinc/19/62/76/1075196276.db2.gz OXNSIDJOBOKCKH-WOJBJXKFSA-N 1 0 411.502 1.990 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc(-c3cccc(F)c3)on2)CC1 ZINC000448095303 1075198645 /nfs/dbraw/zinc/19/86/45/1075198645.db2.gz VILHFSUYPPUAHD-UHFFFAOYSA-N 1 0 403.458 2.499 20 0 HDADRO CCN(C[C@@H]1CCOC1)C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000675555425 1075200964 /nfs/dbraw/zinc/20/09/64/1075200964.db2.gz RXGHNURNONYUOY-KRWDZBQOSA-N 1 0 411.568 1.724 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C[N@@H+]1Cc1ccccc1 ZINC000466686412 1075205730 /nfs/dbraw/zinc/20/57/30/1075205730.db2.gz MVNLZWNZWUCLQV-RHSMWYFYSA-N 1 0 416.503 1.203 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000509350458 1075208740 /nfs/dbraw/zinc/20/87/40/1075208740.db2.gz KDZBKXOJGDHEDW-UHFFFAOYSA-N 1 0 417.597 1.727 20 0 HDADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccccc1 ZINC000438302060 1075210537 /nfs/dbraw/zinc/21/05/37/1075210537.db2.gz HQMKVIYTODQTKP-HXUWFJFHSA-N 1 0 414.554 2.420 20 0 HDADRO CCN(C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1)CC(F)(F)F ZINC000483954736 1075215376 /nfs/dbraw/zinc/21/53/76/1075215376.db2.gz BYPXWNPMAGAQBJ-AWEZNQCLSA-N 1 0 424.427 1.939 20 0 HDADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000475844952 1075215552 /nfs/dbraw/zinc/21/55/52/1075215552.db2.gz NOEWNEOHWFCOJV-GOSISDBHSA-N 1 0 413.526 1.742 20 0 HDADRO 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CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000675608434 1075224495 /nfs/dbraw/zinc/22/44/95/1075224495.db2.gz SGPXSGDBBVHYSW-UHFFFAOYSA-N 1 0 407.496 1.204 20 0 HDADRO Cc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1C(=O)NC(C)C ZINC000675607812 1075225042 /nfs/dbraw/zinc/22/50/42/1075225042.db2.gz JTYDRDSABWRSTK-UHFFFAOYSA-N 1 0 400.483 1.469 20 0 HDADRO COC(=O)CCNC(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000429362127 1075225121 /nfs/dbraw/zinc/22/51/21/1075225121.db2.gz ALJCOLLBLIJJDZ-PXNSSMCTSA-N 1 0 416.449 1.846 20 0 HDADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)n1 ZINC000425928934 1075225890 /nfs/dbraw/zinc/22/58/90/1075225890.db2.gz WMMVIRHODVCRKP-MRXNPFEDSA-N 1 0 401.511 2.186 20 0 HDADRO O=C(Nc1cnn(Cc2ccccc2)c1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000675588324 1075226107 /nfs/dbraw/zinc/22/61/07/1075226107.db2.gz YLUMURFZVUNOPB-FQEVSTJZSA-N 1 0 411.506 1.583 20 0 HDADRO O=C(Nc1cnn(C[C@H]2CCCO2)c1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000675587865 1075226915 /nfs/dbraw/zinc/22/69/15/1075226915.db2.gz RDTQEQGSGFWODN-HXUWFJFHSA-N 1 0 411.506 1.735 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccn(CCc3ccncc3)n2)CC1=O ZINC000591642136 1075228936 /nfs/dbraw/zinc/22/89/36/1075228936.db2.gz FHVCRBCTZFQSSH-RTBURBONSA-N 1 0 410.522 1.792 20 0 HDADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)Nc3cnn(C[C@H]4CCCO4)c3)C2)CC1 ZINC000675591774 1075230120 /nfs/dbraw/zinc/23/01/20/1075230120.db2.gz TVHPSBOMAQJAFF-AZUAARDMSA-N 1 0 417.554 1.971 20 0 HDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 ZINC000675594401 1075231558 /nfs/dbraw/zinc/23/15/58/1075231558.db2.gz HOYJSCNOKCUDJP-POAQFYNOSA-N 1 0 411.506 1.952 20 0 HDADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000490394324 1075231787 /nfs/dbraw/zinc/23/17/87/1075231787.db2.gz JXLCQIHHPGADDA-UHFFFAOYSA-N 1 0 418.929 1.608 20 0 HDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2nn(-c3ncccc3F)cc2C)CC1 ZINC000448336381 1075232485 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CN(CCCN1CC[NH+](C)CC1)C(=O)c1cn(-c2ccccc2Br)nn1 ZINC000732114114 1075628247 /nfs/dbraw/zinc/62/82/47/1075628247.db2.gz GDRWKFROHNLHCI-UHFFFAOYSA-N 1 0 421.343 1.739 20 0 HDADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000429453237 1075628850 /nfs/dbraw/zinc/62/88/50/1075628850.db2.gz YTNSVOUPUDQCDS-KRWDZBQOSA-N 1 0 419.957 1.915 20 0 HDADRO COc1cccc(CN(CC[NH+](C)C)C(=O)Cc2c(C)nc3nc(N)nn3c2C)c1 ZINC000485505241 1075633096 /nfs/dbraw/zinc/63/30/96/1075633096.db2.gz LJMQJUODZIHZDE-UHFFFAOYSA-N 1 0 411.510 1.465 20 0 HDADRO CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000732159546 1075641864 /nfs/dbraw/zinc/64/18/64/1075641864.db2.gz JHTDSLVVVCIFKX-GOSISDBHSA-N 1 0 416.547 1.400 20 0 HDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccccc2)CC1 ZINC000071885716 1075647215 /nfs/dbraw/zinc/64/72/15/1075647215.db2.gz RVROGXZUQYUBQL-UHFFFAOYSA-N 1 0 407.474 1.978 20 0 HDADRO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1OC 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CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC3(C)COC3)cc2Cl)CC1 ZINC000733050933 1075957432 /nfs/dbraw/zinc/95/74/32/1075957432.db2.gz WBAAURJMFZXGFP-UHFFFAOYSA-N 1 0 408.930 1.963 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1N1C(=O)CCC1=O ZINC000733045825 1075964360 /nfs/dbraw/zinc/96/43/60/1075964360.db2.gz BEXHDDJPGWYUMB-UHFFFAOYSA-N 1 0 412.490 1.674 20 0 HDADRO O=C(NCCCCC[NH+]1CCN(C(=O)c2ccc[nH]2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001079162822 1075965970 /nfs/dbraw/zinc/96/59/70/1075965970.db2.gz DAXKYLWXOPHEHW-YSDSKTICSA-N 1 0 400.523 1.482 20 0 HDADRO CC1(C)C[C@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079159933 1075965992 /nfs/dbraw/zinc/96/59/92/1075965992.db2.gz UVCHJFKUZJQLFF-XUFBONQXSA-N 1 0 403.567 1.887 20 0 HDADRO O=C(/C=C\C1CC1)N1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079162974 1075966219 /nfs/dbraw/zinc/96/62/19/1075966219.db2.gz LHIFRDCILONACN-RWDYNTERSA-N 1 0 401.551 1.807 20 0 HDADRO Cc1ncoc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]3COC[C@@H]32)CC1 ZINC001079252719 1075967582 /nfs/dbraw/zinc/96/75/82/1075967582.db2.gz POYBOQGRWXLOCA-BHQCHZOVSA-N 1 0 413.518 1.846 20 0 HDADRO Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]4COC[C@@H]43)CC2)on1 ZINC001079252951 1075967603 /nfs/dbraw/zinc/96/76/03/1075967603.db2.gz USRCQQTWCQVIPI-FYBDHJHVSA-N 1 0 413.518 1.846 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1=O ZINC000733140731 1075973795 /nfs/dbraw/zinc/97/37/95/1075973795.db2.gz VFMVNAVUFNJZGE-RBUKOAKNSA-N 1 0 421.563 1.050 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccccc2N2CCOC2=O)CC1=O ZINC000733143190 1075975354 /nfs/dbraw/zinc/97/53/54/1075975354.db2.gz BUBNKZRYYSXZKT-JKSUJKDBSA-N 1 0 400.479 1.915 20 0 HDADRO C[NH+]1CCN(CCCNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733125575 1075978582 /nfs/dbraw/zinc/97/85/82/1075978582.db2.gz ZRTRBQQJDYVQLX-HEHNFIMWSA-N 1 0 407.518 1.606 20 0 HDADRO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000507680576 1075979488 /nfs/dbraw/zinc/97/94/88/1075979488.db2.gz YMJBIBUNMAGDLJ-ZFWWWQNUSA-N 1 0 424.523 1.090 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)NC)CC1=O ZINC000733130955 1075979972 /nfs/dbraw/zinc/97/99/72/1075979972.db2.gz VHGMLGLGMYGSMW-ZFWWWQNUSA-N 1 0 406.914 1.971 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080159864 1075983530 /nfs/dbraw/zinc/98/35/30/1075983530.db2.gz ZJYNAFGTDAYKHY-WKLFKRTGSA-N 1 0 409.530 1.956 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001545676747 1075985989 /nfs/dbraw/zinc/98/59/89/1075985989.db2.gz JCFPYRHWZWNFHO-CVEARBPZSA-N 1 0 406.531 1.130 20 0 HDADRO Cc1cc(Cn2nnc(C(=O)N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2C)no1 ZINC000509138749 1075986995 /nfs/dbraw/zinc/98/69/95/1075986995.db2.gz MRWSGQWUDAFZBD-IYBDPMFKSA-N 1 0 416.526 1.893 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000733151695 1075987055 /nfs/dbraw/zinc/98/70/55/1075987055.db2.gz LFSWVGUYOTUVJZ-AFDUHFSSSA-N 1 0 407.518 1.605 20 0 HDADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000733153521 1075987816 /nfs/dbraw/zinc/98/78/16/1075987816.db2.gz BGZKTYIWQKJGQD-UHFFFAOYSA-N 1 0 401.504 1.307 20 0 HDADRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000733153948 1075988179 /nfs/dbraw/zinc/98/81/79/1075988179.db2.gz JLDHSISAMLYJAE-UHFFFAOYSA-N 1 0 413.515 1.449 20 0 HDADRO Cc1cc(Cn2nnc(C(=O)N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)c2C)no1 ZINC000509562035 1075988236 /nfs/dbraw/zinc/98/82/36/1075988236.db2.gz UQSGLFQXTUWWLU-HOTGVXAUSA-N 1 0 415.542 1.562 20 0 HDADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000733157020 1075990049 /nfs/dbraw/zinc/99/00/49/1075990049.db2.gz QTVRHXMASQKVBT-UHFFFAOYSA-N 1 0 401.504 1.259 20 0 HDADRO Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000733157026 1075990747 /nfs/dbraw/zinc/99/07/47/1075990747.db2.gz QWXVNEFHUIEDEU-GOSISDBHSA-N 1 0 416.595 1.930 20 0 HDADRO CC(C)[C@H](CNC(=O)CN1C(=S)N=NC1c1cccs1)[NH+]1CCN(C)CC1 ZINC000733157310 1075990786 /nfs/dbraw/zinc/99/07/86/1075990786.db2.gz ZPSDSVDVKNJWCB-AWEZNQCLSA-N 1 0 408.597 1.684 20 0 HDADRO O=C(CSc1nnnn1CC(F)(F)F)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733158607 1075991508 /nfs/dbraw/zinc/99/15/08/1075991508.db2.gz OJFVKLPUGBBNQC-LBPRGKRZSA-N 1 0 408.450 1.087 20 0 HDADRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000493474998 1075991616 /nfs/dbraw/zinc/99/16/16/1075991616.db2.gz XHAXJAVOTJOCAX-UXHICEINSA-N 1 0 408.587 1.184 20 0 HDADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000733159975 1075992575 /nfs/dbraw/zinc/99/25/75/1075992575.db2.gz YQZINGTYHZCKKJ-SFHVURJKSA-N 1 0 400.454 1.745 20 0 HDADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493874305 1075992894 /nfs/dbraw/zinc/99/28/94/1075992894.db2.gz OCBYSHXTWGNFBU-LBPRGKRZSA-N 1 0 405.446 1.867 20 0 HDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733159307 1075993174 /nfs/dbraw/zinc/99/31/74/1075993174.db2.gz OHXAFWXUOMHWOF-ODENVGOISA-N 1 0 421.545 1.995 20 0 HDADRO CC[NH+]1CCN(CCNC(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 ZINC000733161864 1075994295 /nfs/dbraw/zinc/99/42/95/1075994295.db2.gz KYSFESZJCVZOND-UHFFFAOYSA-N 1 0 418.357 1.220 20 0 HDADRO C[NH+](C)CCCCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000733162439 1075996004 /nfs/dbraw/zinc/99/60/04/1075996004.db2.gz XXIXFXFQQTVAML-UHFFFAOYSA-N 1 0 418.357 1.961 20 0 HDADRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000733164933 1075997000 /nfs/dbraw/zinc/99/70/00/1075997000.db2.gz DSMNCFIXYIUICG-LLVKDONJSA-N 1 0 406.346 1.769 20 0 HDADRO Cc1cc(=O)oc2cc(OCC(=O)N(C)CC[N@H+](C)C3CCN(C)CC3)ccc12 ZINC000733164085 1075997800 /nfs/dbraw/zinc/99/78/00/1075997800.db2.gz LSCXMPBUIIURTE-UHFFFAOYSA-N 1 0 401.507 1.965 20 0 HDADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C[NH+](C)C)C(C)C)CC2)cc1 ZINC000733165251 1075997991 /nfs/dbraw/zinc/99/79/91/1075997991.db2.gz AFAFELHXQJURMJ-LJQANCHMSA-N 1 0 410.584 1.004 20 0 HDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000733167888 1075998686 /nfs/dbraw/zinc/99/86/86/1075998686.db2.gz HUMVOHLDKHYPLR-UHFFFAOYSA-N 1 0 422.580 1.212 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000733168103 1075999051 /nfs/dbraw/zinc/99/90/51/1075999051.db2.gz CBZFPNSHCBBJQV-CQSZACIVSA-N 1 0 401.504 1.307 20 0 HDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000733169140 1075999783 /nfs/dbraw/zinc/99/97/83/1075999783.db2.gz SALNJFQEPBSOSA-QGZVFWFLSA-N 1 0 410.559 1.692 20 0 HDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000733170031 1076000472 /nfs/dbraw/zinc/00/04/72/1076000472.db2.gz IZIMIRSEVODOQQ-CABCVRRESA-N 1 0 408.465 1.540 20 0 HDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000733170769 1076000685 /nfs/dbraw/zinc/00/06/85/1076000685.db2.gz RYBJYIPRDNTJRI-JEZWAEDTSA-N 1 0 408.568 1.461 20 0 HDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1 ZINC000733170672 1076000896 /nfs/dbraw/zinc/00/08/96/1076000896.db2.gz PLNVOHYEINAOAK-LXXRFIIISA-N 1 0 414.554 1.709 20 0 HDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2nnn(Cc3cc(C)on3)c2C)[C@@H](C)C1 ZINC000512965645 1076004024 /nfs/dbraw/zinc/00/40/24/1076004024.db2.gz CQKBYHWBVACYQD-KSSFIOAISA-N 1 0 404.515 1.798 20 0 HDADRO COC[C@@H]1CCCN(CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184909 1076011483 /nfs/dbraw/zinc/01/14/83/1076011483.db2.gz ZABMRXXMVCVTGD-KNQAVFIVSA-N 1 0 400.523 1.889 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000495398082 1076014811 /nfs/dbraw/zinc/01/48/11/1076014811.db2.gz YPKCDSKETDKMRB-NRFANRHFSA-N 1 0 415.582 1.497 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C2)no1 ZINC000514029319 1076017024 /nfs/dbraw/zinc/01/70/24/1076017024.db2.gz PSENBGDSZARGRN-GDBMZVCRSA-N 1 0 408.547 1.741 20 0 HDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000733273178 1076026593 /nfs/dbraw/zinc/02/65/93/1076026593.db2.gz ONSNAGGMBXQCMY-HNNXBMFYSA-N 1 0 405.520 1.988 20 0 HDADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)NCCc1c[nH]c2ccc(Br)cc12 ZINC000515526962 1076027182 /nfs/dbraw/zinc/02/71/82/1076027182.db2.gz WXAOUTXLBBAHOX-ZDUSSCGKSA-N 1 0 421.339 1.999 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)CC1 ZINC000727031232 1076029231 /nfs/dbraw/zinc/02/92/31/1076029231.db2.gz PUQGSIJJJWICBX-KRWDZBQOSA-N 1 0 407.511 1.763 20 0 HDADRO Cc1ccc(NC(=O)[C@@H](C)ONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)cc1F ZINC000733306165 1076034245 /nfs/dbraw/zinc/03/42/45/1076034245.db2.gz HCZGOHYYZZQBHJ-GFCCVEGCSA-N 1 0 403.458 1.957 20 0 HDADRO Cc1ccc(NC(=O)[C@H](C)ONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)cc1F ZINC000733306166 1076034316 /nfs/dbraw/zinc/03/43/16/1076034316.db2.gz HCZGOHYYZZQBHJ-LBPRGKRZSA-N 1 0 403.458 1.957 20 0 HDADRO C[C@@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)NCc1ccccc1Cl ZINC000733306234 1076034331 /nfs/dbraw/zinc/03/43/31/1076034331.db2.gz JRBIHKXKMQTVDN-GFCCVEGCSA-N 1 0 419.913 1.841 20 0 HDADRO C[C@@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)N1c2ccccc2C[C@H]1C ZINC000733305729 1076034398 /nfs/dbraw/zinc/03/43/98/1076034398.db2.gz CMPYYZZCEVLQHR-ZIAGYGMSSA-N 1 0 411.506 1.849 20 0 HDADRO CCC[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)CC1CC1 ZINC000052890977 1076034884 /nfs/dbraw/zinc/03/48/84/1076034884.db2.gz NNNBFWPCOSXWSG-FQEVSTJZSA-N 1 0 401.507 1.619 20 0 HDADRO CS(=O)(=O)NCCNC(=S)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000727069646 1076037984 /nfs/dbraw/zinc/03/79/84/1076037984.db2.gz DAYUFRGAQFNVTK-UHFFFAOYSA-N 1 0 404.989 1.318 20 0 HDADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=S)NCCNS(C)(=O)=O)cc2)C1 ZINC000727077594 1076039387 /nfs/dbraw/zinc/03/93/87/1076039387.db2.gz RFDDHVVVQBMINE-HZPDHXFCSA-N 1 0 412.625 1.678 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=S)NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000727083026 1076040644 /nfs/dbraw/zinc/04/06/44/1076040644.db2.gz ACOKYRMCQAPEDU-UHFFFAOYSA-N 1 0 401.621 1.591 20 0 HDADRO CS(=O)(=O)NCCNC(=S)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000727083234 1076040763 /nfs/dbraw/zinc/04/07/63/1076040763.db2.gz ZTKWAUYKOXPCJX-UHFFFAOYSA-N 1 0 402.611 1.114 20 0 HDADRO O=C1C[C@@H](c2ccccn2)CN1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000733295715 1076041581 /nfs/dbraw/zinc/04/15/81/1076041581.db2.gz RGXYOBNEFZVHAJ-MRXNPFEDSA-N 1 0 400.445 1.942 20 0 HDADRO CCC[N@H+](CN1C(=O)N[C@](C)(COC)C1=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000733296726 1076041713 /nfs/dbraw/zinc/04/17/13/1076041713.db2.gz HNZLDWLPEIDHQV-JOCHJYFZSA-N 1 0 416.522 1.918 20 0 HDADRO O=S(=O)(c1ccc(NC(=S)N2CC[C@@H]([NH+]3CCCC3)C2)cc1)N1CCOCC1 ZINC000727089323 1076041865 /nfs/dbraw/zinc/04/18/65/1076041865.db2.gz QYSLCCJZUQDJSJ-QGZVFWFLSA-N 1 0 424.592 1.574 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC(=O)OCc2ccccc2Cl)CC1 ZINC000733347731 1076043234 /nfs/dbraw/zinc/04/32/34/1076043234.db2.gz IQYKDVODMCEHHM-UHFFFAOYSA-N 1 0 424.929 1.625 20 0 HDADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2ccccc2-n2cncn2)CC1 ZINC000733331006 1076045374 /nfs/dbraw/zinc/04/53/74/1076045374.db2.gz WZDBVDDRYKPWPR-UHFFFAOYSA-N 1 0 414.510 1.874 20 0 HDADRO O=C(NCc1ccc(N2CCOCC2)nc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733332832 1076045726 /nfs/dbraw/zinc/04/57/26/1076045726.db2.gz CRNVSZXPELEEFT-LJQANCHMSA-N 1 0 403.527 1.361 20 0 HDADRO O=C(Nc1ccccc1CN1C(=O)CNC1=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733333559 1076045748 /nfs/dbraw/zinc/04/57/48/1076045748.db2.gz QOQZAJJBCULABC-KRWDZBQOSA-N 1 0 415.494 1.503 20 0 HDADRO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000727109003 1076046989 /nfs/dbraw/zinc/04/69/89/1076046989.db2.gz CBLROVILASEWEK-ROUUACIJSA-N 1 0 402.495 1.244 20 0 HDADRO COC1CC[NH+](C2(CNC(=O)NCCS(=O)(=O)C(C)(C)C)CCCC2)CC1 ZINC000733349606 1076049014 /nfs/dbraw/zinc/04/90/14/1076049014.db2.gz QLRCSVONTMJRFW-UHFFFAOYSA-N 1 0 403.589 1.923 20 0 HDADRO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1 ZINC000727136589 1076051315 /nfs/dbraw/zinc/05/13/15/1076051315.db2.gz YHFQNVFAQNYUGG-ZWKOTPCHSA-N 1 0 410.559 1.692 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](O)c2cc(OC)ccc2OC)CC1=O ZINC000733359007 1076051607 /nfs/dbraw/zinc/05/16/07/1076051607.db2.gz VDIIMNNFWIBVLX-MDZRGWNJSA-N 1 0 419.522 1.186 20 0 HDADRO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000053140207 1076054654 /nfs/dbraw/zinc/05/46/54/1076054654.db2.gz TUQIFOMUKOPFGR-HXUWFJFHSA-N 1 0 402.539 1.455 20 0 HDADRO CNC(=O)C1CC[NH+](CC(=O)N2CCN(Cc3cccc4ccccc43)CC2)CC1 ZINC000053847002 1076059928 /nfs/dbraw/zinc/05/99/28/1076059928.db2.gz QKIFYKAXLPYTGA-UHFFFAOYSA-N 1 0 408.546 1.942 20 0 HDADRO COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000727171694 1076069008 /nfs/dbraw/zinc/06/90/08/1076069008.db2.gz DDTOQCLTNOZCKY-MOEXGYKKSA-N 1 0 424.519 1.749 20 0 HDADRO C[C@@H](C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)N1C(=O)CCC1=O ZINC000733449571 1076079448 /nfs/dbraw/zinc/07/94/48/1076079448.db2.gz MMTRLQNWQHQUEU-AWEZNQCLSA-N 1 0 419.503 1.255 20 0 HDADRO Cn1cc(C(=O)C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cn1 ZINC000733474010 1076082963 /nfs/dbraw/zinc/08/29/63/1076082963.db2.gz AJDNGNPCJGTLKE-UHFFFAOYSA-N 1 0 402.476 1.334 20 0 HDADRO CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000727224903 1076084069 /nfs/dbraw/zinc/08/40/69/1076084069.db2.gz TXGNFALUIHGTAA-GOSISDBHSA-N 1 0 409.575 1.809 20 0 HDADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@@H](CCC(N)=O)C3)cc2)CC1 ZINC000727231686 1076085941 /nfs/dbraw/zinc/08/59/41/1076085941.db2.gz SAEMVKCOPQGECM-KRWDZBQOSA-N 1 0 415.538 1.271 20 0 HDADRO NC(=O)C1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000727231324 1076086287 /nfs/dbraw/zinc/08/62/87/1076086287.db2.gz IMCQNOHJLWZZDB-LJQANCHMSA-N 1 0 413.522 1.024 20 0 HDADRO O=C(Nc1ccc(-n2nccn2)cc1C(F)(F)F)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727232265 1076087089 /nfs/dbraw/zinc/08/70/89/1076087089.db2.gz ZQGXGQQBQROKCG-CQSZACIVSA-N 1 0 422.411 1.921 20 0 HDADRO COc1cc(/C=C2\SC(=O)N(CCNC(=O)C[NH+](C)C)C2=O)cc(OC)c1OC ZINC000727292848 1076092853 /nfs/dbraw/zinc/09/28/53/1076092853.db2.gz JRHOGLIBTSHUOY-GDNBJRDFSA-N 1 0 423.491 1.427 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)COc2ccc3ccc(=O)oc3c2)c1 ZINC000727333582 1076094930 /nfs/dbraw/zinc/09/49/30/1076094930.db2.gz JAWCHVDWGKSSRR-UHFFFAOYSA-N 1 0 423.469 1.780 20 0 HDADRO CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000727333206 1076095054 /nfs/dbraw/zinc/09/50/54/1076095054.db2.gz BTIREYJXAPOECG-QNGOZBTKSA-N 1 0 408.502 1.771 20 0 HDADRO O=C(COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000733530356 1076095199 /nfs/dbraw/zinc/09/51/99/1076095199.db2.gz IAWBARWXCCHBDS-GOSISDBHSA-N 1 0 400.397 1.843 20 0 HDADRO CCS(=O)(=O)NCCOC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000733532699 1076096195 /nfs/dbraw/zinc/09/61/95/1076096195.db2.gz XKWWFNIDUBXRQM-INIZCTEOSA-N 1 0 408.442 1.924 20 0 HDADRO COC(=O)NCCC(=O)OCC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000733545491 1076107591 /nfs/dbraw/zinc/10/75/91/1076107591.db2.gz YOAPGIDQFQOCRR-UHFFFAOYSA-N 1 0 407.467 1.019 20 0 HDADRO C[C@H](OC(=O)c1ccc(S(C)(=O)=O)o1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000733586994 1076116355 /nfs/dbraw/zinc/11/63/55/1076116355.db2.gz BJGVJEHCCKWOKJ-GOEBONIOSA-N 1 0 420.487 1.619 20 0 HDADRO COc1ccccc1[C@H](O)CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000727479300 1076129738 /nfs/dbraw/zinc/12/97/38/1076129738.db2.gz FTLQIQNJVLMXAK-LJQANCHMSA-N 1 0 414.506 1.519 20 0 HDADRO COC(=O)N1CCC[C@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000727479367 1076130337 /nfs/dbraw/zinc/13/03/37/1076130337.db2.gz GNWGLORINIKLHH-KRWDZBQOSA-N 1 0 405.499 1.008 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000727460500 1076134768 /nfs/dbraw/zinc/13/47/68/1076134768.db2.gz PALATBPMYORPCD-UHFFFAOYSA-N 1 0 417.487 1.127 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)Cc2ccc(Cl)nc2)c1 ZINC000727460469 1076134808 /nfs/dbraw/zinc/13/48/08/1076134808.db2.gz NHYQUBDROPDBEC-UHFFFAOYSA-N 1 0 410.927 1.646 20 0 HDADRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000733647072 1076139717 /nfs/dbraw/zinc/13/97/17/1076139717.db2.gz VKKPMMZKTNLVOM-INIZCTEOSA-N 1 0 412.556 1.077 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000733666046 1076146908 /nfs/dbraw/zinc/14/69/08/1076146908.db2.gz OJGRIHVNHQEIAY-AWEZNQCLSA-N 1 0 418.885 1.223 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc2)CC1 ZINC000733668604 1076149124 /nfs/dbraw/zinc/14/91/24/1076149124.db2.gz JPBXXRMGBQHZKO-JKSUJKDBSA-N 1 0 424.567 1.047 20 0 HDADRO CO[C@@H](CNC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C(F)(F)F ZINC000733660641 1076165606 /nfs/dbraw/zinc/16/56/06/1076165606.db2.gz PQEKOLBOWJKNST-HNNXBMFYSA-N 1 0 408.465 1.587 20 0 HDADRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C1 ZINC000526047391 1076171239 /nfs/dbraw/zinc/17/12/39/1076171239.db2.gz XYDYPYMMZPZZDP-SFHVURJKSA-N 1 0 400.504 1.551 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCC(C3OCCO3)CC2)c1 ZINC000727603851 1076177695 /nfs/dbraw/zinc/17/76/95/1076177695.db2.gz HMNUWBJJGAUHND-UHFFFAOYSA-N 1 0 404.511 1.273 20 0 HDADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2=O)cc1 ZINC000733770204 1076201432 /nfs/dbraw/zinc/20/14/32/1076201432.db2.gz XIOFPPRQTMSELD-NRFANRHFSA-N 1 0 420.429 1.682 20 0 HDADRO CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCc2oncc2C1 ZINC001545676867 1076213626 /nfs/dbraw/zinc/21/36/26/1076213626.db2.gz LWMPTYUCYZZDHH-HNNXBMFYSA-N 1 0 401.515 1.682 20 0 HDADRO CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1 ZINC000733795264 1076215302 /nfs/dbraw/zinc/21/53/02/1076215302.db2.gz WFRNYACZTVPIIL-GOSISDBHSA-N 1 0 418.538 1.899 20 0 HDADRO COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000733796895 1076216800 /nfs/dbraw/zinc/21/68/00/1076216800.db2.gz PDSCXKRFSCFCOU-VOTSOKGWSA-N 1 0 412.508 1.605 20 0 HDADRO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000727764596 1076218414 /nfs/dbraw/zinc/21/84/14/1076218414.db2.gz BWTVRGBWZANVSU-LJQANCHMSA-N 1 0 402.520 1.875 20 0 HDADRO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)c1 ZINC000727768143 1076221696 /nfs/dbraw/zinc/22/16/96/1076221696.db2.gz UGQGHSMSNFFNRQ-LJQANCHMSA-N 1 0 402.520 1.875 20 0 HDADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753121 1076226411 /nfs/dbraw/zinc/22/64/11/1076226411.db2.gz LOUBSABFURINDY-RHSMWYFYSA-N 1 0 406.533 1.731 20 0 HDADRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753098 1076226754 /nfs/dbraw/zinc/22/67/54/1076226754.db2.gz KCTDICJETIEMHC-LJQANCHMSA-N 1 0 400.504 1.629 20 0 HDADRO O=C(CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)Nc1ccc(F)c(F)c1 ZINC000733850155 1076227386 /nfs/dbraw/zinc/22/73/86/1076227386.db2.gz JTOBWQQKVRDLGY-UHFFFAOYSA-N 1 0 400.345 1.239 20 0 HDADRO C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)c2)CC1 ZINC000727756295 1076229861 /nfs/dbraw/zinc/22/98/61/1076229861.db2.gz VCSLEMAEVIMYJK-LJQANCHMSA-N 1 0 415.519 1.103 20 0 HDADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727756367 1076229921 /nfs/dbraw/zinc/22/99/21/1076229921.db2.gz YHRVEZZTVLVIDD-IBGZPJMESA-N 1 0 402.520 1.873 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc2c(c1)CC(=O)N2C ZINC000733856628 1076231825 /nfs/dbraw/zinc/23/18/25/1076231825.db2.gz XJKRJVZNMLHLFZ-ZDUSSCGKSA-N 1 0 404.430 1.602 20 0 HDADRO CNS(=O)(=O)c1ccc(CCC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000022683459 1076232045 /nfs/dbraw/zinc/23/20/45/1076232045.db2.gz MROVCICSUGQLDL-HXUWFJFHSA-N 1 0 419.547 1.955 20 0 HDADRO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)c1 ZINC000531655647 1076237288 /nfs/dbraw/zinc/23/72/88/1076237288.db2.gz SNIZDWBNWBWWDO-NSHDSACASA-N 1 0 419.429 1.470 20 0 HDADRO C[NH+](C)C1(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CCOCC1 ZINC000733884186 1076239611 /nfs/dbraw/zinc/23/96/11/1076239611.db2.gz DIBFOXJODJBHAR-UHFFFAOYSA-N 1 0 413.515 1.451 20 0 HDADRO O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000733885822 1076240275 /nfs/dbraw/zinc/24/02/75/1076240275.db2.gz WSEKPRYFYRZNFN-SFHVURJKSA-N 1 0 412.577 1.180 20 0 HDADRO C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000533358313 1076243122 /nfs/dbraw/zinc/24/31/22/1076243122.db2.gz ZABAZRVBXZHVBP-NSHGMRRFSA-N 1 0 415.538 1.324 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C2)no1 ZINC000533584718 1076243656 /nfs/dbraw/zinc/24/36/56/1076243656.db2.gz QRIBOGPEWNBNCB-ZWKOTPCHSA-N 1 0 419.526 1.225 20 0 HDADRO C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000733888544 1076250214 /nfs/dbraw/zinc/25/02/14/1076250214.db2.gz GEZDXAJBCYUPKK-IIBYNOLFSA-N 1 0 417.531 1.872 20 0 HDADRO O=C(C[NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)NC(=O)NCc1ccco1 ZINC000733897703 1076258232 /nfs/dbraw/zinc/25/82/32/1076258232.db2.gz NQJDLIZAPDWDPM-OAQYLSRUSA-N 1 0 400.479 1.222 20 0 HDADRO O=C(OCC(F)(F)F)N1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000727802411 1076259049 /nfs/dbraw/zinc/25/90/49/1076259049.db2.gz SRDAXJZWPNYABC-CABCVRRESA-N 1 0 407.433 1.863 20 0 HDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000727836764 1076265795 /nfs/dbraw/zinc/26/57/95/1076265795.db2.gz VYIMQTUOFLFRBJ-MRXNPFEDSA-N 1 0 411.959 1.649 20 0 HDADRO COC(=O)N1CCC[C@@H](NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000727844159 1076269835 /nfs/dbraw/zinc/26/98/35/1076269835.db2.gz FPLXBIAOJACDIT-RTBURBONSA-N 1 0 403.527 1.505 20 0 HDADRO C[N@@H+]1CCCN(CCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733976376 1076280813 /nfs/dbraw/zinc/28/08/13/1076280813.db2.gz BPMAHPXERCLNOW-PYCFMQQDSA-N 1 0 421.545 1.996 20 0 HDADRO C[C@@H](OC(=O)CCN1CCCC1=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000727913474 1076286547 /nfs/dbraw/zinc/28/65/47/1076286547.db2.gz QFIMDRSQPGSOTM-QGZVFWFLSA-N 1 0 401.507 1.711 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(OC3CCCC3)cc2)C1 ZINC000728060966 1076314668 /nfs/dbraw/zinc/31/46/68/1076314668.db2.gz XQFWWSDTVSMCPZ-INIZCTEOSA-N 1 0 409.552 1.874 20 0 HDADRO COC(=O)C1=C(CN2CC[NH+](CC(C)(C)O)CC2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000728055629 1076322707 /nfs/dbraw/zinc/32/27/07/1076322707.db2.gz XBBXKENNKBCESV-IBGZPJMESA-N 1 0 416.522 1.198 20 0 HDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000728072213 1076333030 /nfs/dbraw/zinc/33/30/30/1076333030.db2.gz ABXBAZWFVZJNHZ-INIZCTEOSA-N 1 0 419.526 1.973 20 0 HDADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000728140412 1076341573 /nfs/dbraw/zinc/34/15/73/1076341573.db2.gz SDTJGJIIEGWRHQ-UHFFFAOYSA-N 1 0 404.511 1.809 20 0 HDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728141537 1076341808 /nfs/dbraw/zinc/34/18/08/1076341808.db2.gz FRDJXAJSGRUVAO-QGZVFWFLSA-N 1 0 422.501 1.170 20 0 HDADRO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027575894 1076360431 /nfs/dbraw/zinc/36/04/31/1076360431.db2.gz PLDRKFFPFSRBHT-QGZVFWFLSA-N 1 0 416.547 1.521 20 0 HDADRO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000028888762 1076362296 /nfs/dbraw/zinc/36/22/96/1076362296.db2.gz JQYBILGWCGVTKF-XLIONFOSSA-N 1 0 407.580 1.796 20 0 HDADRO C[C@H](OC(=O)CN1Cc2ccccc2C1=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000730053403 1076427967 /nfs/dbraw/zinc/42/79/67/1076427967.db2.gz GRGFCAJHSIOYEW-FXAWDEMLSA-N 1 0 421.497 1.965 20 0 HDADRO Cc1occc1C(=O)Nc1nc(CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cs1 ZINC000730083324 1076431359 /nfs/dbraw/zinc/43/13/59/1076431359.db2.gz IIAXGIMQMNOGFF-IAGOWNOFSA-N 1 0 418.519 1.897 20 0 HDADRO O=C(CCNS(=O)(=O)/C=C\c1ccccc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000730085214 1076435733 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20 0 HDADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000730392170 1076572656 /nfs/dbraw/zinc/57/26/56/1076572656.db2.gz XKJMVUSNELTWRG-INIZCTEOSA-N 1 0 420.510 1.691 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)CC1 ZINC000730575199 1076607532 /nfs/dbraw/zinc/60/75/32/1076607532.db2.gz NYCNOBYKJVYAQZ-CYBMUJFWSA-N 1 0 417.988 1.840 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000730592794 1076610512 /nfs/dbraw/zinc/61/05/12/1076610512.db2.gz ANBGIGWDLHYBTA-CQSZACIVSA-N 1 0 414.959 1.230 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)cc1 ZINC000730677947 1076635823 /nfs/dbraw/zinc/63/58/23/1076635823.db2.gz DZKDSDBYKNQDDB-UHFFFAOYSA-N 1 0 422.489 1.853 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC2CCC3(CC2)OCCO3)cc1 ZINC000730680113 1076636750 /nfs/dbraw/zinc/63/67/50/1076636750.db2.gz OBNWHXZXHCGZOF-UHFFFAOYSA-N 1 0 405.495 1.758 20 0 HDADRO COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000730681196 1076637280 /nfs/dbraw/zinc/63/72/80/1076637280.db2.gz JERXBAMOUBFVPB-MRXNPFEDSA-N 1 0 406.483 1.303 20 0 HDADRO Cc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2=O)c1 ZINC000730774134 1076650225 /nfs/dbraw/zinc/65/02/25/1076650225.db2.gz VBAGBIMTXILYSV-OKZBNKHCSA-N 1 0 400.479 1.179 20 0 HDADRO CN(C[C@H]1CCCOC1)CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000730803539 1076655197 /nfs/dbraw/zinc/65/51/97/1076655197.db2.gz JZHKACOUPXXKNM-KNQAVFIVSA-N 1 0 400.523 1.889 20 0 HDADRO CN(CC[N@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1 ZINC000730808240 1076665390 /nfs/dbraw/zinc/66/53/90/1076665390.db2.gz FJIHBQLUWWSZRM-UHFFFAOYSA-N 1 0 401.511 1.731 20 0 HDADRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC000730807944 1076666173 /nfs/dbraw/zinc/66/61/73/1076666173.db2.gz CMQSVWNRLZEGBA-UHFFFAOYSA-N 1 0 421.523 1.974 20 0 HDADRO COC1CC[NH+](C(C)(C)CNC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1 ZINC000730841126 1076670761 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ZINC001164967039 722070383 /nfs/dbraw/zinc/07/03/83/722070383.db2.gz GAMDWWXZWCHKPH-GASCZTMLSA-N 1 0 402.524 1.222 20 0 HDADRO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc1 ZINC001164967533 722076136 /nfs/dbraw/zinc/07/61/36/722076136.db2.gz UFEUMDDTWSVUJI-NXHRZFHOSA-N 1 0 408.568 1.848 20 0 HDADRO Cn1ccnc1C(=O)N[C@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164973623 722093545 /nfs/dbraw/zinc/09/35/45/722093545.db2.gz BHDQDHCRPDHIFP-BJLQDIEVSA-N 1 0 410.522 1.576 20 0 HDADRO NC(=O)c1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl ZINC001164983415 722102835 /nfs/dbraw/zinc/10/28/35/722102835.db2.gz QAKOZIZJNWPUOO-MAUKXSAKSA-N 1 0 401.898 1.956 20 0 HDADRO COC(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1OC ZINC001164975497 722103676 /nfs/dbraw/zinc/10/36/76/722103676.db2.gz CAOQNIBOGFQGNZ-HKUYNNGSSA-N 1 0 412.490 1.999 20 0 HDADRO COC(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1OC ZINC001164975499 722103860 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CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2N2CCCC2)CC1 ZINC000429048969 1073469905 /nfs/dbraw/zinc/46/99/05/1073469905.db2.gz UAWGKKYULOFKAU-UHFFFAOYSA-N 1 0 402.495 1.566 20 0 HDADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000673642263 1073480952 /nfs/dbraw/zinc/48/09/52/1073480952.db2.gz ODGOIFCPRYLNGB-UHFFFAOYSA-N 1 0 409.538 1.538 20 0 HDADRO C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CS(=O)(=O)CCO2)C[N@@H+]1Cc1ccccc1 ZINC000509099794 1073518319 /nfs/dbraw/zinc/51/83/19/1073518319.db2.gz XMAVSPLCHPOBMW-NEWSRXKRSA-N 1 0 409.552 1.400 20 0 HDADRO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C[N@@H+]1Cc1ccccc1 ZINC000509099796 1073518612 /nfs/dbraw/zinc/51/86/12/1073518612.db2.gz XMAVSPLCHPOBMW-NZSAHSFTSA-N 1 0 409.552 1.400 20 0 HDADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CS(=O)(=O)CCO2)[C@@H]1c1cccs1 ZINC000509100250 1073523830 /nfs/dbraw/zinc/52/38/30/1073523830.db2.gz PUIGGOQZMRCLFV-IJEWVQPXSA-N 1 0 401.554 1.244 20 0 HDADRO 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ZINC000429099316 1073573993 /nfs/dbraw/zinc/57/39/93/1073573993.db2.gz QSEQOVPHJKEKCH-UHFFFAOYSA-N 1 0 404.555 1.817 20 0 HDADRO O=C(Nc1cccc(N2CCCS2(=O)=O)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429101411 1073577817 /nfs/dbraw/zinc/57/78/17/1073577817.db2.gz RULCKZYKZKDVIG-INIZCTEOSA-N 1 0 408.524 1.413 20 0 HDADRO NC(=O)CC[C@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)N1C(=O)c2ccccc2C1=O ZINC000673656508 1073586608 /nfs/dbraw/zinc/58/66/08/1073586608.db2.gz XXLZGWYMOIGJCS-QGZVFWFLSA-N 1 0 418.413 1.136 20 0 HDADRO O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429107271 1073592508 /nfs/dbraw/zinc/59/25/08/1073592508.db2.gz AAYXKRICHMSWBK-QGZVFWFLSA-N 1 0 402.495 1.345 20 0 HDADRO CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673668856 1073623275 /nfs/dbraw/zinc/62/32/75/1073623275.db2.gz BFRLDPVITNZQCO-QUCCMNQESA-N 1 0 412.534 1.132 20 0 HDADRO CN(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1c(F)cccc1Cl ZINC000673673084 1073628044 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416.566 1.921 20 0 HDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC001128528935 1073646223 /nfs/dbraw/zinc/64/62/23/1073646223.db2.gz DFXLKMWNURYNPZ-QGZVFWFLSA-N 1 0 401.507 1.484 20 0 HDADRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000673713583 1073652746 /nfs/dbraw/zinc/65/27/46/1073652746.db2.gz DZQPQDDOUPSJIP-QFBILLFUSA-N 1 0 416.547 1.867 20 0 HDADRO CC(=O)N1CCCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c2ccccc21 ZINC000673714346 1073653505 /nfs/dbraw/zinc/65/35/05/1073653505.db2.gz NCWAWIFTTAYJKG-IBGZPJMESA-N 1 0 402.539 1.723 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)C1 ZINC000673729119 1073662693 /nfs/dbraw/zinc/66/26/93/1073662693.db2.gz CUJYQSZGQGDUBT-LJQANCHMSA-N 1 0 411.568 1.351 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000673757441 1073692325 /nfs/dbraw/zinc/69/23/25/1073692325.db2.gz QFELFDYOUALJCL-FQEVSTJZSA-N 1 0 402.583 1.810 20 0 HDADRO COC(=O)[C@H]1CN(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H](C)O1 ZINC000509137694 1073696589 /nfs/dbraw/zinc/69/65/89/1073696589.db2.gz LJTPBMFRDUXLPA-AYOQOUSVSA-N 1 0 405.495 1.804 20 0 HDADRO Cc1ccnc(CNC(=O)c2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2C)c1 ZINC000509137281 1073698246 /nfs/dbraw/zinc/69/82/46/1073698246.db2.gz IOASQEIOVVBWQM-UHFFFAOYSA-N 1 0 404.536 1.858 20 0 HDADRO CCS(=O)(=O)N(C)CCCNC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000673770073 1073714272 /nfs/dbraw/zinc/71/42/72/1073714272.db2.gz HIOGYCHRAGUCPZ-GOSISDBHSA-N 1 0 410.584 1.964 20 0 HDADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](CCCO)c3ccccc3)CC2)c1 ZINC000509145028 1073725376 /nfs/dbraw/zinc/72/53/76/1073725376.db2.gz XJMFXGCRTFWANB-IBGZPJMESA-N 1 0 412.490 1.369 20 0 HDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)C1 ZINC000673786004 1073732307 /nfs/dbraw/zinc/73/23/07/1073732307.db2.gz JZOWZMFNWCWWSG-LJQANCHMSA-N 1 0 412.534 1.938 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)C1 ZINC000673775739 1073733022 /nfs/dbraw/zinc/73/30/22/1073733022.db2.gz MVFPNOPLEFDJJJ-HNNXBMFYSA-N 1 0 416.519 1.115 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000673778109 1073734141 /nfs/dbraw/zinc/73/41/41/1073734141.db2.gz WLNIRIVYUOAPIL-CGTJXYLNSA-N 1 0 406.531 1.056 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000673778112 1073734370 /nfs/dbraw/zinc/73/43/70/1073734370.db2.gz WLNIRIVYUOAPIL-NXHRZFHOSA-N 1 0 406.531 1.056 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000673779139 1073735580 /nfs/dbraw/zinc/73/55/80/1073735580.db2.gz XLYAGEVHMCNUPK-FXAWDEMLSA-N 1 0 410.522 1.831 20 0 HDADRO COCCN(C(=O)C[NH+](C1CCC1)C1CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000429134832 1073743736 /nfs/dbraw/zinc/74/37/36/1073743736.db2.gz LLXCEIYEHUGPCS-UHFFFAOYSA-N 1 0 421.542 1.574 20 0 HDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000509149961 1073745482 /nfs/dbraw/zinc/74/54/82/1073745482.db2.gz FAJXJGLLCIVFCV-HLAWJBBLSA-N 1 0 416.566 1.101 20 0 HDADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cn2)C[C@H](C)O1 ZINC000673810704 1073754052 /nfs/dbraw/zinc/75/40/52/1073754052.db2.gz CVBPYZNGUMYVMY-HLLBOEOZSA-N 1 0 404.515 1.125 20 0 HDADRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)C1 ZINC000673809643 1073761820 /nfs/dbraw/zinc/76/18/20/1073761820.db2.gz NHAYMNLUHAKNCK-HNNXBMFYSA-N 1 0 418.519 1.871 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(CCNC(C)=O)cc2)C1 ZINC000673825178 1073770622 /nfs/dbraw/zinc/77/06/22/1073770622.db2.gz UGXULIOYHYCROX-IBGZPJMESA-N 1 0 411.568 1.487 20 0 HDADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000509154479 1073775207 /nfs/dbraw/zinc/77/52/07/1073775207.db2.gz RKEUTCUEDAPBJM-MOPGFXCFSA-N 1 0 409.552 1.354 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000429151155 1073789583 /nfs/dbraw/zinc/78/95/83/1073789583.db2.gz QKDOWQHGRYXVQS-QGZVFWFLSA-N 1 0 411.572 1.125 20 0 HDADRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCOCC1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000543490091 1073796941 /nfs/dbraw/zinc/79/69/41/1073796941.db2.gz AIRTYSMOMLEQCM-KDOFPFPSSA-N 1 0 411.930 1.826 20 0 HDADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000543490714 1073799814 /nfs/dbraw/zinc/79/98/14/1073799814.db2.gz RGJYABPKXNDWAK-CRAIPNDOSA-N 1 0 403.523 1.919 20 0 HDADRO CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](CC(N)=O)C2CCOCC2)cc1 ZINC000543490809 1073800156 /nfs/dbraw/zinc/80/01/56/1073800156.db2.gz SPMOCHGNFFLWHQ-KBXCAEBGSA-N 1 0 405.495 1.839 20 0 HDADRO O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000673833702 1073801360 /nfs/dbraw/zinc/80/13/60/1073801360.db2.gz NLSJFYSXGYDIST-QGZVFWFLSA-N 1 0 404.902 1.707 20 0 HDADRO CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673837177 1073811336 /nfs/dbraw/zinc/81/13/36/1073811336.db2.gz DZQFEAKCCWYAQP-SFHVURJKSA-N 1 0 417.945 1.620 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H]2CCCN2c2ncccn2)CC1 ZINC000673838150 1073812648 /nfs/dbraw/zinc/81/26/48/1073812648.db2.gz KADRIOKRDHFMJC-LJQANCHMSA-N 1 0 416.570 1.532 20 0 HDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(Cl)ccc1OC(C)C ZINC000466542910 1073816439 /nfs/dbraw/zinc/81/64/39/1073816439.db2.gz WFFGPVYEPXPGGC-UHFFFAOYSA-N 1 0 411.930 1.990 20 0 HDADRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000543492385 1073821794 /nfs/dbraw/zinc/82/17/94/1073821794.db2.gz IVCXHBJNZAEAOV-BBRMVZONSA-N 1 0 418.494 1.908 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000673861096 1073829604 /nfs/dbraw/zinc/82/96/04/1073829604.db2.gz ONZBTSGDTBHPAR-UHFFFAOYSA-N 1 0 420.429 1.986 20 0 HDADRO CC[C@@H]([NH2+]CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@H]1CCCO1 ZINC000543494951 1073831033 /nfs/dbraw/zinc/83/10/33/1073831033.db2.gz SLSLPNURWLYUSB-IEBWSBKVSA-N 1 0 409.552 1.763 20 0 HDADRO CS(=O)(=O)c1ccc(OCCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000673864330 1073831884 /nfs/dbraw/zinc/83/18/84/1073831884.db2.gz KBTMBHLPDPNAPF-UHFFFAOYSA-N 1 0 401.448 1.871 20 0 HDADRO C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000673869751 1073833737 /nfs/dbraw/zinc/83/37/37/1073833737.db2.gz ULMKWCUINMZLGG-AWEZNQCLSA-N 1 0 408.528 1.578 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cn1 ZINC000673870050 1073836145 /nfs/dbraw/zinc/83/61/45/1073836145.db2.gz YSEHIEHVCLNLKY-SFHVURJKSA-N 1 0 400.483 1.884 20 0 HDADRO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)C1 ZINC000673871088 1073836603 /nfs/dbraw/zinc/83/66/03/1073836603.db2.gz HRGNKYGLMHPBBU-ROUUACIJSA-N 1 0 419.574 1.289 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCCNC(=O)c2ccc(Br)cc2)cn1 ZINC000673868707 1073846435 /nfs/dbraw/zinc/84/64/35/1073846435.db2.gz FJRZVEHJBLPSRJ-UHFFFAOYSA-N 1 0 423.315 1.759 20 0 HDADRO CN(C)c1nc(CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cs1 ZINC000673887734 1073846952 /nfs/dbraw/zinc/84/69/52/1073846952.db2.gz QVFYKRBIMZFACO-UHFFFAOYSA-N 1 0 416.551 1.211 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 ZINC000673868433 1073847078 /nfs/dbraw/zinc/84/70/78/1073847078.db2.gz YZCXVXNGXMRDTJ-MRXNPFEDSA-N 1 0 401.511 1.039 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000673879578 1073850567 /nfs/dbraw/zinc/85/05/67/1073850567.db2.gz ABSMDRRDXZRHLB-YJBOKZPZSA-N 1 0 406.531 1.103 20 0 HDADRO NC(=O)C[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CCOCC1 ZINC000543498412 1073857951 /nfs/dbraw/zinc/85/79/51/1073857951.db2.gz ZXNRUSXFJFGQBC-ZBFHGGJFSA-N 1 0 401.301 1.449 20 0 HDADRO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@H](CC(N)=O)C3CCOCC3)cs2)cc1 ZINC000543498271 1073858082 /nfs/dbraw/zinc/85/80/82/1073858082.db2.gz VEOBYLXJJFLYSK-QGZVFWFLSA-N 1 0 423.560 1.974 20 0 HDADRO NC(=O)C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)C1CCOCC1 ZINC000543498409 1073858191 /nfs/dbraw/zinc/85/81/91/1073858191.db2.gz ZXNRUSXFJFGQBC-GDBMZVCRSA-N 1 0 401.301 1.449 20 0 HDADRO CC1CCN(Cc2csc(NC(=O)CN3CC[NH+](C(C)(C)CO)CC3)n2)CC1 ZINC000673894643 1073865050 /nfs/dbraw/zinc/86/50/50/1073865050.db2.gz FEBQJGUDEIABOD-UHFFFAOYSA-N 1 0 409.600 1.702 20 0 HDADRO O=C(NCCCCN1C(=O)NC2(CCCC2)C1=O)NCC1CC[NH+](C2CC2)CC1 ZINC000429158882 1073876825 /nfs/dbraw/zinc/87/68/25/1073876825.db2.gz KTWZQFLEQRKKIA-UHFFFAOYSA-N 1 0 405.543 1.805 20 0 HDADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)C2=O)c1 ZINC000673913725 1073880501 /nfs/dbraw/zinc/88/05/01/1073880501.db2.gz RZJZBUBZLKPAJD-DNVCBOLYSA-N 1 0 402.495 1.593 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)Nc3cnn(CC[NH+](C)C)c3)C2=O)c1 ZINC000673916979 1073895857 /nfs/dbraw/zinc/89/58/57/1073895857.db2.gz YVCABSFXERNEFJ-SFHVURJKSA-N 1 0 416.482 1.389 20 0 HDADRO COc1cc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc(Cl)c1OCC(N)=O ZINC000673929558 1073899101 /nfs/dbraw/zinc/89/91/01/1073899101.db2.gz KHCRPQBWFXWMAM-BUXKBTBVSA-N 1 0 424.885 1.023 20 0 HDADRO CCOc1cc(NC2CCN(C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ncn1 ZINC000466557872 1073900301 /nfs/dbraw/zinc/90/03/01/1073900301.db2.gz YXYHZLSWPIYLEQ-CALCHBBNSA-N 1 0 420.558 1.961 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1 ZINC000673932065 1073905727 /nfs/dbraw/zinc/90/57/27/1073905727.db2.gz OQUQKZMJAIIPOV-SFHVURJKSA-N 1 0 405.476 1.246 20 0 HDADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000673938765 1073912232 /nfs/dbraw/zinc/91/22/32/1073912232.db2.gz AUQVCAKGOGCZOP-FQEVSTJZSA-N 1 0 422.529 1.703 20 0 HDADRO Cn1nc(Br)cc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000785470470 1073931508 /nfs/dbraw/zinc/93/15/08/1073931508.db2.gz QQKOYEKIXCBJOG-UHFFFAOYSA-N 1 0 419.267 1.834 20 0 HDADRO COc1ccc2oc([C@@H](C)[NH2+]CC(=O)N3CCN(CC(=O)N(C)C)CC3)c(C)c2c1 ZINC000543512444 1073933731 /nfs/dbraw/zinc/93/37/31/1073933731.db2.gz KGWUMTADGXALRQ-MRXNPFEDSA-N 1 0 416.522 1.633 20 0 HDADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000673957330 1073937969 /nfs/dbraw/zinc/93/79/69/1073937969.db2.gz AIMZLNAXPMITCT-UGSOOPFHSA-N 1 0 413.565 1.110 20 0 HDADRO Cn1cc(N2CCN(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)CC2=O)cn1 ZINC000429176383 1073951558 /nfs/dbraw/zinc/95/15/58/1073951558.db2.gz WYQYBDMBJNPGGU-UHFFFAOYSA-N 1 0 402.543 1.967 20 0 HDADRO C[NH+](C)CC1(NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CCC1 ZINC000466567806 1073955631 /nfs/dbraw/zinc/95/56/31/1073955631.db2.gz TUKOMEJHNAAWPR-UHFFFAOYSA-N 1 0 403.342 1.964 20 0 HDADRO CNC(=O)N[C@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000466568444 1073958641 /nfs/dbraw/zinc/95/86/41/1073958641.db2.gz YAASYWCJPDBTBH-SFHVURJKSA-N 1 0 402.543 1.302 20 0 HDADRO CCn1c(CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc2ccccc21 ZINC000785472179 1073963451 /nfs/dbraw/zinc/96/34/51/1073963451.db2.gz FRPHGRKLFRBCHV-KRWDZBQOSA-N 1 0 413.522 1.243 20 0 HDADRO CN(C)S(=O)(=O)c1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1Br ZINC000466569724 1073967976 /nfs/dbraw/zinc/96/79/76/1073967976.db2.gz IXEOFOYLFQDAAT-UHFFFAOYSA-N 1 0 418.357 1.914 20 0 HDADRO CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2)[NH+]1CCCC1 ZINC001005046962 1073986746 /nfs/dbraw/zinc/98/67/46/1073986746.db2.gz NVQLJARCDCJERM-UDFCFZJOSA-N 1 0 405.539 1.160 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[C@H](NC(=O)NC)C3)cc2)CC1 ZINC000466584919 1074016871 /nfs/dbraw/zinc/01/68/71/1074016871.db2.gz LTDJBTZCZMECLR-IBGZPJMESA-N 1 0 402.543 1.037 20 0 HDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543535333 1074035682 /nfs/dbraw/zinc/03/56/82/1074035682.db2.gz XGLSIYOXFNDSOD-LSDHHAIUSA-N 1 0 422.551 1.184 20 0 HDADRO COc1cc2cc(C(=O)NCCN3CCC([NH+](C)C)CC3)[nH]c2c(OC)c1OC ZINC000674001026 1074039102 /nfs/dbraw/zinc/03/91/02/1074039102.db2.gz CEWSCNIJIUEFSX-UHFFFAOYSA-N 1 0 404.511 1.950 20 0 HDADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000543535289 1074042391 /nfs/dbraw/zinc/04/23/91/1074042391.db2.gz UZNOWSUCOYNMMD-HNNXBMFYSA-N 1 0 402.495 1.151 20 0 HDADRO CC[NH+](CC)Cc1ccccc1CNC(=O)CNS(=O)(=O)c1ccccc1N ZINC000670451613 1074043449 /nfs/dbraw/zinc/04/34/49/1074043449.db2.gz DXXWBKSNCKPCQH-UHFFFAOYSA-N 1 0 404.536 1.705 20 0 HDADRO O=C(C[NH+](C1CCC1)C1CCC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000429194044 1074044413 /nfs/dbraw/zinc/04/44/13/1074044413.db2.gz XRBJYVZSIOUAEQ-UHFFFAOYSA-N 1 0 421.563 1.731 20 0 HDADRO CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC001299292253 1074046997 /nfs/dbraw/zinc/04/69/97/1074046997.db2.gz UGFDOKHAHMKHSG-PBHICJAKSA-N 1 0 404.540 1.216 20 0 HDADRO O=S1(=O)C[C@H]([NH2+]CCCc2ccc(C(F)(F)F)cc2)[C@H](N2CCOCC2)C1 ZINC000674006667 1074054550 /nfs/dbraw/zinc/05/45/50/1074054550.db2.gz YGYLOQLFNJZYKN-DLBZAZTESA-N 1 0 406.470 1.725 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000506500088 1074057070 /nfs/dbraw/zinc/05/70/70/1074057070.db2.gz OCBBLXUYEDUVRB-INIZCTEOSA-N 1 0 402.543 1.992 20 0 HDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)CC1 ZINC000674013275 1074064056 /nfs/dbraw/zinc/06/40/56/1074064056.db2.gz CQVJAVBPVGRPKL-SFHVURJKSA-N 1 0 408.506 1.903 20 0 HDADRO CCc1ccc([C@@H](CNC(=O)NCCNS(=O)(=O)Cc2ccon2)[NH+](C)C)cc1 ZINC000429199424 1074068309 /nfs/dbraw/zinc/06/83/09/1074068309.db2.gz BPVHSICRLOMOPD-GOSISDBHSA-N 1 0 423.539 1.259 20 0 HDADRO Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c(Br)c1 ZINC000058858395 1074069089 /nfs/dbraw/zinc/06/90/89/1074069089.db2.gz BOBCVJWLMIJWIE-CQSZACIVSA-N 1 0 412.328 1.757 20 0 HDADRO C[NH+](C)CCOc1cccc(CNC(=O)c2cccc(CN3C(=O)CNC3=O)c2)c1 ZINC000058921841 1074078270 /nfs/dbraw/zinc/07/82/70/1074078270.db2.gz FLDOLKRRBMXDLJ-UHFFFAOYSA-N 1 0 410.474 1.609 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)Cc2ccccc2C1 ZINC000543556090 1074091919 /nfs/dbraw/zinc/09/19/19/1074091919.db2.gz GHIZEIFWNCWZHJ-UHFFFAOYSA-N 1 0 410.522 1.937 20 0 HDADRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)c1 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VPTDCLFLKWAFNR-DOTOQJQBSA-N 1 0 419.551 1.638 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000477027627 1074709811 /nfs/dbraw/zinc/70/98/11/1074709811.db2.gz KZQJCWRKGVTRKL-KDOFPFPSSA-N 1 0 424.492 1.419 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000675098232 1074710082 /nfs/dbraw/zinc/71/00/82/1074710082.db2.gz WHDJTQXCKCITAD-MOPGFXCFSA-N 1 0 413.522 1.229 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000675089416 1074712975 /nfs/dbraw/zinc/71/29/75/1074712975.db2.gz MDYPGDLWIWLNQB-HZPDHXFCSA-N 1 0 405.486 1.659 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)nn1C1CCCCC1 ZINC000565980692 1074714573 /nfs/dbraw/zinc/71/45/73/1074714573.db2.gz DTEFSZYYDZJTRR-QGZVFWFLSA-N 1 0 417.554 2.347 20 0 HDADRO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675103583 1074719908 /nfs/dbraw/zinc/71/99/08/1074719908.db2.gz XPZGRCWBCXGHSJ-IAGOWNOFSA-N 1 0 422.961 1.019 20 0 HDADRO CC(=O)NC(C)(C)C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001128944276 1074723016 /nfs/dbraw/zinc/72/30/16/1074723016.db2.gz XXGQZYUJOQGYHG-UHFFFAOYSA-N 1 0 402.539 1.389 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)nn1-c1ccc(F)cc1F ZINC000577097681 1074724183 /nfs/dbraw/zinc/72/41/83/1074724183.db2.gz LHJRNFNBHFFHHD-MRXNPFEDSA-N 1 0 417.460 2.484 20 0 HDADRO Cc1c(C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000675134253 1074727644 /nfs/dbraw/zinc/72/76/44/1074727644.db2.gz DYTXDFINRSKKDB-ROUUACIJSA-N 1 0 410.522 1.728 20 0 HDADRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC)ccc2NC1=O ZINC000477033290 1074734667 /nfs/dbraw/zinc/73/46/67/1074734667.db2.gz LZVXPXINGYJYKQ-KEYYUXOJSA-N 1 0 404.511 1.820 20 0 HDADRO CC[C@@H]1Oc2cc([C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)ccc2NC1=O ZINC000477033292 1074734850 /nfs/dbraw/zinc/73/48/50/1074734850.db2.gz LZVXPXINGYJYKQ-ZQIUZPCESA-N 1 0 404.511 1.820 20 0 HDADRO C[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(O)c1 ZINC000429320348 1074736812 /nfs/dbraw/zinc/73/68/12/1074736812.db2.gz VIUKXKNGMUJPNB-OAHLLOKOSA-N 1 0 419.503 1.702 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)nn1-c1ccc(F)cc1F ZINC000584493783 1074737159 /nfs/dbraw/zinc/73/71/59/1074737159.db2.gz KBSGEGFMWQTIMW-UHFFFAOYSA-N 1 0 405.449 2.386 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000477034362 1074740597 /nfs/dbraw/zinc/74/05/97/1074740597.db2.gz PBPPRJASLHNPEC-GOSISDBHSA-N 1 0 416.566 1.696 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000675147313 1074744364 /nfs/dbraw/zinc/74/43/64/1074744364.db2.gz RARIGLAKRFWASQ-NVXWUHKLSA-N 1 0 403.504 1.492 20 0 HDADRO COC(=O)Cn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)n1 ZINC000537255292 1074748591 /nfs/dbraw/zinc/74/85/91/1074748591.db2.gz SSBUBRJSTPCWTI-QZTJIDSGSA-N 1 0 420.558 1.857 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000675175660 1074749252 /nfs/dbraw/zinc/74/92/52/1074749252.db2.gz MZNRTGZDKQKPLT-HXUWFJFHSA-N 1 0 401.555 1.748 20 0 HDADRO O=C(NCCNc1ccccn1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000490374702 1074753097 /nfs/dbraw/zinc/75/30/97/1074753097.db2.gz PAHKBKUVWODZQX-UHFFFAOYSA-N 1 0 419.367 1.848 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000477037986 1074753975 /nfs/dbraw/zinc/75/39/75/1074753975.db2.gz YOJCJJHSRYFDRT-UYAOXDASSA-N 1 0 404.555 1.331 20 0 HDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000543615591 1074754147 /nfs/dbraw/zinc/75/41/47/1074754147.db2.gz ZVOPCSGIRPBDOE-IAGOWNOFSA-N 1 0 402.543 1.711 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1 ZINC000675180609 1074754434 /nfs/dbraw/zinc/75/44/34/1074754434.db2.gz SFLWKEIVHLUTRX-QGZVFWFLSA-N 1 0 406.527 1.836 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000675196309 1074755309 /nfs/dbraw/zinc/75/53/09/1074755309.db2.gz CVFHGJWEGKLYCW-GOSISDBHSA-N 1 0 408.568 1.967 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000477054423 1074758075 /nfs/dbraw/zinc/75/80/75/1074758075.db2.gz FOWWLFHCVYHMFP-CYBMUJFWSA-N 1 0 416.353 1.884 20 0 HDADRO CC(C)[C@@H](CNC(=O)Nc1ccccc1CN1CCNC1=O)[NH+]1CCN(C)CC1 ZINC000543616638 1074758241 /nfs/dbraw/zinc/75/82/41/1074758241.db2.gz JZKJLYNCVSDIOO-LJQANCHMSA-N 1 0 402.543 1.605 20 0 HDADRO CN1CCN(C(=O)c2cc(NC(=O)NC[C@@]3([NH+](C)C)CCSC3)ccn2)CC1 ZINC000543617449 1074759060 /nfs/dbraw/zinc/75/90/60/1074759060.db2.gz VUTVVOWGQUIGQD-IBGZPJMESA-N 1 0 406.556 1.028 20 0 HDADRO CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1 ZINC000475850276 1074767973 /nfs/dbraw/zinc/76/79/73/1074767973.db2.gz WBKLDQQJJOZRIL-UHFFFAOYSA-N 1 0 413.526 1.920 20 0 HDADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000543619338 1074772242 /nfs/dbraw/zinc/77/22/42/1074772242.db2.gz MMQAVPDNOCERTE-UHFFFAOYSA-N 1 0 415.581 1.578 20 0 HDADRO Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000675267980 1074777080 /nfs/dbraw/zinc/77/70/80/1074777080.db2.gz UITKIYQTIOWNKP-NRFANRHFSA-N 1 0 424.549 1.778 20 0 HDADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)nn1-c1ccc(F)cc1F ZINC000573244514 1074778658 /nfs/dbraw/zinc/77/86/58/1074778658.db2.gz JFLYTMDYRAXHAM-DOTOQJQBSA-N 1 0 403.433 2.140 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000477070234 1074779149 /nfs/dbraw/zinc/77/91/49/1074779149.db2.gz RVOZEKWDANSUIO-MOPGFXCFSA-N 1 0 403.571 1.160 20 0 HDADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccn(CCN2CCOCC2)n1 ZINC000574554186 1074781474 /nfs/dbraw/zinc/78/14/74/1074781474.db2.gz AZENYQPRUFEMKG-KRWDZBQOSA-N 1 0 402.499 1.767 20 0 HDADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1nn(-c2ncccc2F)cc1C)[NH+](C)C ZINC000446792372 1074784290 /nfs/dbraw/zinc/78/42/90/1074784290.db2.gz KRDZKIRWTIBBGW-MRXNPFEDSA-N 1 0 404.490 2.136 20 0 HDADRO O=C([C@H]1CC(=O)N(Cc2ccccn2)C1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000675280395 1074785654 /nfs/dbraw/zinc/78/56/54/1074785654.db2.gz DTIWKTAFQFOZAL-ICSRJNTNSA-N 1 0 400.523 1.534 20 0 HDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000490374804 1074786839 /nfs/dbraw/zinc/78/68/39/1074786839.db2.gz GBZMRJITKIKQSP-LBPRGKRZSA-N 1 0 422.411 1.825 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000477088181 1074790314 /nfs/dbraw/zinc/79/03/14/1074790314.db2.gz YAFLDLVWCCZHDS-AWEZNQCLSA-N 1 0 410.465 1.096 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000477099909 1074790486 /nfs/dbraw/zinc/79/04/86/1074790486.db2.gz LWVGUFWSFXQXBI-GFCCVEGCSA-N 1 0 420.373 1.678 20 0 HDADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444582546 1074797751 /nfs/dbraw/zinc/79/77/51/1074797751.db2.gz PCHAOLXPCVETPS-MRXNPFEDSA-N 1 0 405.449 1.768 20 0 HDADRO C[C@@]1(c2ccccc2)CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC000675310305 1074800974 /nfs/dbraw/zinc/80/09/74/1074800974.db2.gz TZELIWYAMDAKBI-UNMCSNQZSA-N 1 0 402.539 1.350 20 0 HDADRO O=C(NCc1cccc(CN2CCCC2=O)c1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507186757 1074811081 /nfs/dbraw/zinc/81/10/81/1074811081.db2.gz IEUJIDOUTZDCBA-UHFFFAOYSA-N 1 0 418.457 1.645 20 0 HDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC[C@@H]21 ZINC000766106923 1074812523 /nfs/dbraw/zinc/81/25/23/1074812523.db2.gz GASTWDMPHAKOON-YRPNKDGESA-N 1 0 401.507 1.701 20 0 HDADRO COCCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2S1(=O)=O ZINC000766110954 1074818624 /nfs/dbraw/zinc/81/86/24/1074818624.db2.gz VUMXQDDTRKANFA-DOTOQJQBSA-N 1 0 421.519 1.034 20 0 HDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[C@@H]21 ZINC000766112368 1074819311 /nfs/dbraw/zinc/81/93/11/1074819311.db2.gz JLFGTTFIFLJTES-SFTDATJTSA-N 1 0 414.550 1.884 20 0 HDADRO CN1CC[NH+](CCCCNC(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC1 ZINC000675372964 1075091585 /nfs/dbraw/zinc/09/15/85/1075091585.db2.gz YSKSGDHRJOCDCT-UHFFFAOYSA-N 1 0 400.520 1.519 20 0 HDADRO COCCC[N@H+](CCCN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000509328344 1075102907 /nfs/dbraw/zinc/10/29/07/1075102907.db2.gz RICPCLXKBJKVNJ-NRFANRHFSA-N 1 0 409.596 1.724 20 0 HDADRO C[C@@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000509330866 1075111457 /nfs/dbraw/zinc/11/14/57/1075111457.db2.gz JDSDDCAVOJKXDR-QYZOEREBSA-N 1 0 407.603 1.881 20 0 HDADRO NC(=O)[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)c1ccc(F)cc1 ZINC001034695761 1075117506 /nfs/dbraw/zinc/11/75/06/1075117506.db2.gz DIFWHOBCCXTITI-HGHADFFWSA-N 1 0 401.482 1.793 20 0 HDADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)CC1 ZINC000675396995 1075125624 /nfs/dbraw/zinc/12/56/24/1075125624.db2.gz MNOYSMNBPLZELE-SFHVURJKSA-N 1 0 412.538 1.575 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3O[C@H]3CCOC3)CC2)C1 ZINC000675401499 1075127067 /nfs/dbraw/zinc/12/70/67/1075127067.db2.gz AQWPSBCEEPYWSR-ROUUACIJSA-N 1 0 416.522 1.031 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000466676529 1075129580 /nfs/dbraw/zinc/12/95/80/1075129580.db2.gz AYWZQJJLUYTNEZ-CRAIPNDOSA-N 1 0 405.462 1.380 20 0 HDADRO COCCCn1ccc(NC(=O)C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000444520031 1075143226 /nfs/dbraw/zinc/14/32/26/1075143226.db2.gz OBYQKAQRXLSZGI-LJQANCHMSA-N 1 0 413.522 1.839 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000509248075 1075147906 /nfs/dbraw/zinc/14/79/06/1075147906.db2.gz RRWXKYSXAZJBKK-UHFFFAOYSA-N 1 0 415.538 1.941 20 0 HDADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000576246769 1075149779 /nfs/dbraw/zinc/14/97/79/1075149779.db2.gz ZNDBENXOMHBYQZ-UHFFFAOYSA-N 1 0 418.295 1.880 20 0 HDADRO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000042355836 1075154755 /nfs/dbraw/zinc/15/47/55/1075154755.db2.gz VOPDFHSUDHENBA-KRWDZBQOSA-N 1 0 412.534 1.786 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000675458054 1075156615 /nfs/dbraw/zinc/15/66/15/1075156615.db2.gz GGPKCVGBOBIWMS-CXAGYDPISA-N 1 0 424.904 1.690 20 0 HDADRO O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000429348399 1075160032 /nfs/dbraw/zinc/16/00/32/1075160032.db2.gz JSSMICQWHFHXCV-MOPGFXCFSA-N 1 0 423.517 1.924 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000466680581 1075161868 /nfs/dbraw/zinc/16/18/68/1075161868.db2.gz LWWFIWRTQLMATQ-YLJYHZDGSA-N 1 0 423.517 1.636 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000441829375 1075163545 /nfs/dbraw/zinc/16/35/45/1075163545.db2.gz XCISNXQAXJUENR-UHFFFAOYSA-N 1 0 419.485 2.540 20 0 HDADRO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000042566714 1075164349 /nfs/dbraw/zinc/16/43/49/1075164349.db2.gz DHSPXONZHHPUQK-SJLPKXTDSA-N 1 0 401.507 1.666 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000447110537 1075165071 /nfs/dbraw/zinc/16/50/71/1075165071.db2.gz QCUSFJVRJKGXLA-CYBMUJFWSA-N 1 0 412.400 1.879 20 0 HDADRO Cn1c2ccc(S(=O)(=O)N3C[C@H](C[NH+](C)C)Oc4ccccc43)cc2oc1=O ZINC000675469628 1075165068 /nfs/dbraw/zinc/16/50/68/1075165068.db2.gz OLUBGFSJUNGUQQ-ZDUSSCGKSA-N 1 0 403.460 1.649 20 0 HDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000553880470 1075166254 /nfs/dbraw/zinc/16/62/54/1075166254.db2.gz LKMRWSARRRXNGF-UHFFFAOYSA-N 1 0 401.511 1.773 20 0 HDADRO COC(=O)[C@H]1CC[N@H+](CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)[C@H]1C(C)C ZINC000429349833 1075166902 /nfs/dbraw/zinc/16/69/02/1075166902.db2.gz AEQDQFMMGRNOHF-LIVBEALHSA-N 1 0 407.486 1.639 20 0 HDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000490398510 1075170804 /nfs/dbraw/zinc/17/08/04/1075170804.db2.gz SUCGORQDKMVZGE-UHFFFAOYSA-N 1 0 405.886 1.691 20 0 HDADRO O=C(Nc1ccn(CC(=O)N2CCOCC2)n1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000473628920 1075172444 /nfs/dbraw/zinc/17/24/44/1075172444.db2.gz HCTDBGBUCFVFBE-UHFFFAOYSA-N 1 0 418.542 1.661 20 0 HDADRO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766146634 1075174323 /nfs/dbraw/zinc/17/43/23/1075174323.db2.gz ZFTDXMKLHJQNKR-CYBMUJFWSA-N 1 0 420.553 1.795 20 0 HDADRO O=C(Nc1ccn(CC(F)(F)F)n1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000448296030 1075176810 /nfs/dbraw/zinc/17/68/10/1075176810.db2.gz DZXGUSSAPGXMKM-HZPDHXFCSA-N 1 0 411.428 2.450 20 0 HDADRO O=C(Nc1ccn(CC(F)F)n1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000444501970 1075180274 /nfs/dbraw/zinc/18/02/74/1075180274.db2.gz MGILIGXSNPHUOZ-UHFFFAOYSA-N 1 0 409.412 2.007 20 0 HDADRO C[C@@H](NC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000675499601 1075180381 /nfs/dbraw/zinc/18/03/81/1075180381.db2.gz NWTORRRONJSJPL-CVEARBPZSA-N 1 0 417.535 1.117 20 0 HDADRO CS(=O)(=O)C1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000675505384 1075186872 /nfs/dbraw/zinc/18/68/72/1075186872.db2.gz JBNIMRJDZZIQHG-UHFFFAOYSA-N 1 0 411.593 1.683 20 0 HDADRO C[C@@H]1CN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC[N@@H+](C2CCC2)C1 ZINC000429357542 1075188959 /nfs/dbraw/zinc/18/89/59/1075188959.db2.gz ZVJJLVJSDRSBIJ-OAHLLOKOSA-N 1 0 404.540 1.372 20 0 HDADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000675511389 1075189401 /nfs/dbraw/zinc/18/94/01/1075189401.db2.gz GDVIMAPPBRBMLY-ZFWWWQNUSA-N 1 0 422.507 1.314 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c2ccccc2O1 ZINC000675511906 1075191157 /nfs/dbraw/zinc/19/11/57/1075191157.db2.gz ZBUXWYVSYPMKMI-OPAMFIHVSA-N 1 0 408.458 1.711 20 0 HDADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCCCN(C)S(C)(=O)=O ZINC000675530688 1075192501 /nfs/dbraw/zinc/19/25/01/1075192501.db2.gz KUERJEGFBHQJJQ-IRXDYDNUSA-N 1 0 410.584 1.724 20 0 HDADRO O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000437502924 1075193100 /nfs/dbraw/zinc/19/31/00/1075193100.db2.gz WOADVHDFTQUGNV-IBGZPJMESA-N 1 0 410.522 1.936 20 0 HDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1 ZINC000483948554 1075193460 /nfs/dbraw/zinc/19/34/60/1075193460.db2.gz BNKVEYDTSXACAM-OAHLLOKOSA-N 1 0 404.902 1.719 20 0 HDADRO CC(C)C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000675537449 1075193867 /nfs/dbraw/zinc/19/38/67/1075193867.db2.gz AEHBMUNCQGDVHR-YSTOQKLRSA-N 1 0 417.550 1.722 20 0 HDADRO O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000468457735 1075194159 /nfs/dbraw/zinc/19/41/59/1075194159.db2.gz KVCNUJBHNUCJLV-HXUWFJFHSA-N 1 0 418.501 1.850 20 0 HDADRO CS(=O)(=O)N1CC(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000429356737 1075195227 /nfs/dbraw/zinc/19/52/27/1075195227.db2.gz UTWNCHPNQLEHKO-UHFFFAOYSA-N 1 0 412.581 1.291 20 0 HDADRO CS(=O)(=O)N1CCCc2cc(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)ccc21 ZINC000675537575 1075195257 /nfs/dbraw/zinc/19/52/57/1075195257.db2.gz GSKYXCQGQQZUSV-GOSISDBHSA-N 1 0 407.536 1.382 20 0 HDADRO COc1ccc(CN2C[C@H](C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC2=O)cc1 ZINC000675538707 1075195862 /nfs/dbraw/zinc/19/58/62/1075195862.db2.gz MCACZQRSVDMKGM-MJGOQNOKSA-N 1 0 401.507 1.413 20 0 HDADRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC1 ZINC000468437755 1075198874 /nfs/dbraw/zinc/19/88/74/1075198874.db2.gz WHRIJAOZMMIHLN-UHFFFAOYSA-N 1 0 412.538 2.040 20 0 HDADRO CCn1c(CNC(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)nc2ccccc21 ZINC000785478320 1075205907 /nfs/dbraw/zinc/20/59/07/1075205907.db2.gz OSDCZODAYDENRX-KRWDZBQOSA-N 1 0 415.538 1.632 20 0 HDADRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(OCCOC)c(OC)c2)CC1 ZINC000543635087 1075207476 /nfs/dbraw/zinc/20/74/76/1075207476.db2.gz HRFYCJLTIBCJJC-UHFFFAOYSA-N 1 0 400.541 1.872 20 0 HDADRO CCn1cc(CNC(=O)c2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2C)cn1 ZINC000675569301 1075207854 /nfs/dbraw/zinc/20/78/54/1075207854.db2.gz OJMUYABDPDGKQT-UHFFFAOYSA-N 1 0 407.540 1.371 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675568674 1075208182 /nfs/dbraw/zinc/20/81/82/1075208182.db2.gz HERXDEAOFGMYDV-QGZVFWFLSA-N 1 0 401.511 1.760 20 0 HDADRO COCCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000521374410 1075208232 /nfs/dbraw/zinc/20/82/32/1075208232.db2.gz YBGNYERQWUJKHN-SFHVURJKSA-N 1 0 413.522 1.885 20 0 HDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000466687691 1075215872 /nfs/dbraw/zinc/21/58/72/1075215872.db2.gz ZLINDWYFTNHAMU-IYBDPMFKSA-N 1 0 423.535 1.164 20 0 HDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000675586639 1075217555 /nfs/dbraw/zinc/21/75/55/1075217555.db2.gz WVUIUMWNSMAVFE-ZIFCJYIRSA-N 1 0 405.543 1.875 20 0 HDADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)n1 ZINC000437253209 1075218852 /nfs/dbraw/zinc/21/88/52/1075218852.db2.gz SPZSZZYPQWAFMX-OAHLLOKOSA-N 1 0 405.474 1.759 20 0 HDADRO COc1cc(OC)cc(C(=O)NCC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000675606178 1075222330 /nfs/dbraw/zinc/22/23/30/1075222330.db2.gz XKODIAZWEJYAEM-GOSISDBHSA-N 1 0 418.538 1.061 20 0 HDADRO CC(=O)N(Cc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1)C(C)C ZINC000675607374 1075223078 /nfs/dbraw/zinc/22/30/78/1075223078.db2.gz ADMWUUFTCQJQHA-UHFFFAOYSA-N 1 0 414.510 1.779 20 0 HDADRO C[C@@H](c1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1)N1CCOCC1 ZINC000675608384 1075224295 /nfs/dbraw/zinc/22/42/95/1075224295.db2.gz YCZHEPVCHIVEIJ-INIZCTEOSA-N 1 0 414.510 1.415 20 0 HDADRO O=C(Nc1cnn(CC(F)(F)F)c1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000675588088 1075226359 /nfs/dbraw/zinc/22/63/59/1075226359.db2.gz PSWULXFVNJRMKC-AWEZNQCLSA-N 1 0 403.405 1.097 20 0 HDADRO O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000675587863 1075226876 /nfs/dbraw/zinc/22/68/76/1075226876.db2.gz RDTQEQGSGFWODN-FQEVSTJZSA-N 1 0 411.506 1.735 20 0 HDADRO CSc1cc2c(cc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)OCCO2 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COc1ccccc1CC(=O)N1CCC([NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000675794713 1075270066 /nfs/dbraw/zinc/27/00/66/1075270066.db2.gz STCYCFSFKKLUDQ-UHFFFAOYSA-N 1 0 409.552 1.242 20 0 HDADRO O=C(C[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)N1CCNC(=O)C1 ZINC000429380734 1075273852 /nfs/dbraw/zinc/27/38/52/1075273852.db2.gz VCPYLZNNIGEEBP-FXAWDEMLSA-N 1 0 413.449 1.125 20 0 HDADRO O=C(C[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)N1CCNC(=O)C1 ZINC000429380739 1075274001 /nfs/dbraw/zinc/27/40/01/1075274001.db2.gz VCPYLZNNIGEEBP-XLIONFOSSA-N 1 0 413.449 1.125 20 0 HDADRO Cc1ccc(C2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2)cn1 ZINC000427335021 1075274413 /nfs/dbraw/zinc/27/44/13/1075274413.db2.gz LXSGINPHBGCTDC-UHFFFAOYSA-N 1 0 410.522 2.198 20 0 HDADRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000675817482 1075276400 /nfs/dbraw/zinc/27/64/00/1075276400.db2.gz SDXQIOLNINGOHL-INIZCTEOSA-N 1 0 402.358 1.603 20 0 HDADRO CS(=O)(=O)N1CCN(CC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000675817772 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YZJIXYLVDJUCBC-OAHLLOKOSA-N 1 0 421.494 1.364 20 0 HDADRO COc1cc(C)c(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1OC ZINC000427248317 1075293545 /nfs/dbraw/zinc/29/35/45/1075293545.db2.gz GIKAPNUDJNYUAP-UHFFFAOYSA-N 1 0 401.467 2.053 20 0 HDADRO COc1cc(C)c([C@H](C)NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1OC ZINC000446785121 1075294225 /nfs/dbraw/zinc/29/42/25/1075294225.db2.gz KRKSMRZEWVXKSB-AWEZNQCLSA-N 1 0 403.483 1.586 20 0 HDADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000675937743 1075298236 /nfs/dbraw/zinc/29/82/36/1075298236.db2.gz PVSNWPQJXUGBLX-LJQANCHMSA-N 1 0 416.522 1.615 20 0 HDADRO CN(C)c1nc2cc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)ccc2o1 ZINC000675928624 1075305463 /nfs/dbraw/zinc/30/54/63/1075305463.db2.gz MVPCZRPCSFQHDL-INIZCTEOSA-N 1 0 414.510 1.071 20 0 HDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(Cc4cccc(F)c4)CC3)C2)CC1 ZINC000675988747 1075315251 /nfs/dbraw/zinc/31/52/51/1075315251.db2.gz DKTUNCXOKVCGHM-HXUWFJFHSA-N 1 0 403.546 1.821 20 0 HDADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(NC(=O)CC3CCCC3)CC2)CC1 ZINC000731354435 1075318288 /nfs/dbraw/zinc/31/82/88/1075318288.db2.gz OYQURLLCWCFJEO-QGZVFWFLSA-N 1 0 422.570 1.837 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1 ZINC000675996472 1075319770 /nfs/dbraw/zinc/31/97/70/1075319770.db2.gz FSPSIXZCUZPTND-PMACEKPBSA-N 1 0 410.522 1.572 20 0 HDADRO Cn1ccnc1C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000675996168 1075320093 /nfs/dbraw/zinc/32/00/93/1075320093.db2.gz GRKQKMVLJZVGKW-PMACEKPBSA-N 1 0 424.549 1.652 20 0 HDADRO COc1ccc2c(c1)OCC[C@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000675996753 1075320216 /nfs/dbraw/zinc/32/02/16/1075320216.db2.gz VBBZWBAMXMGPHV-MSOLQXFVSA-N 1 0 402.495 1.467 20 0 HDADRO COc1ccc2c(c1)OCC[C@@H]2NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000675996757 1075320683 /nfs/dbraw/zinc/32/06/83/1075320683.db2.gz VBBZWBAMXMGPHV-ZWKOTPCHSA-N 1 0 402.495 1.467 20 0 HDADRO COc1cc(NC(=O)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)nn1C ZINC000547839727 1075322571 /nfs/dbraw/zinc/32/25/71/1075322571.db2.gz LREGQWLJORXAQI-UHFFFAOYSA-N 1 0 417.510 2.240 20 0 HDADRO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429388427 1075325142 /nfs/dbraw/zinc/32/51/42/1075325142.db2.gz RLKIWAFBLRJSCL-QZTJIDSGSA-N 1 0 402.539 1.759 20 0 HDADRO Cc1ccc([C@@H](CNC(=O)Nc2ccn(CCN3CCOCC3)n2)[NH+](C)C)cc1 ZINC000605429575 1075330954 /nfs/dbraw/zinc/33/09/54/1075330954.db2.gz XCPXCFIJWSWGNJ-LJQANCHMSA-N 1 0 400.527 1.948 20 0 HDADRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000533459160 1075335613 /nfs/dbraw/zinc/33/56/13/1075335613.db2.gz MDQNGPQQTTZORL-UYAOXDASSA-N 1 0 413.522 1.976 20 0 HDADRO O=C(NCCOc1cccnc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000804076933 1075335916 /nfs/dbraw/zinc/33/59/16/1075335916.db2.gz NKFIFCHEUPSRSQ-UHFFFAOYSA-N 1 0 406.552 1.445 20 0 HDADRO COc1cc(-c2noc(CN3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)n2)cc(OC)c1OC 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Cc1c(C(=O)NCCCNc2ncccn2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731474703 1075360695 /nfs/dbraw/zinc/36/06/95/1075360695.db2.gz WLYKVGBHQFTYON-UHFFFAOYSA-N 1 0 406.494 1.586 20 0 HDADRO CN(C)C(=O)c1cccc(CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000676097325 1075362206 /nfs/dbraw/zinc/36/22/06/1075362206.db2.gz NLINPXCYKIKVBI-UHFFFAOYSA-N 1 0 406.446 1.267 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000731481515 1075365742 /nfs/dbraw/zinc/36/57/42/1075365742.db2.gz XCRSOBVPMUZECL-UHFFFAOYSA-N 1 0 417.478 1.355 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000676099203 1075365854 /nfs/dbraw/zinc/36/58/54/1075365854.db2.gz LORITDYWAAMKJC-KRWDZBQOSA-N 1 0 424.848 1.781 20 0 HDADRO CCOC(=O)N1CCN(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000731484095 1075366180 /nfs/dbraw/zinc/36/61/80/1075366180.db2.gz DFUMGXWKCSKEIM-GOSISDBHSA-N 1 0 416.588 1.640 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)cn1 ZINC000676099085 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QVGYDSFENJNPMC-OAHLLOKOSA-N 1 0 415.538 1.508 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000676100636 1075370463 /nfs/dbraw/zinc/37/04/63/1075370463.db2.gz VDQWNYBOMXUYEN-KRWDZBQOSA-N 1 0 408.418 1.106 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cc(Br)ccc2F)cn1 ZINC000676088789 1075370778 /nfs/dbraw/zinc/37/07/78/1075370778.db2.gz FHAHQCGTWSZRHG-UHFFFAOYSA-N 1 0 412.263 1.601 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccnc(OCC(F)(F)F)c2)cn1 ZINC000676089186 1075373283 /nfs/dbraw/zinc/37/32/83/1075373283.db2.gz DEGJJDOLKDNXBT-UHFFFAOYSA-N 1 0 414.388 1.036 20 0 HDADRO COc1cccc(N2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)c1 ZINC000676090887 1075373692 /nfs/dbraw/zinc/37/36/92/1075373692.db2.gz LIPQTORCFIPRJM-UHFFFAOYSA-N 1 0 406.446 1.563 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000676090087 1075373734 /nfs/dbraw/zinc/37/37/34/1075373734.db2.gz RKEIXWPUQMECBV-CQSZACIVSA-N 1 0 412.494 1.609 20 0 HDADRO C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)cn2)CCO1 ZINC000676090679 1075374368 /nfs/dbraw/zinc/37/43/68/1075374368.db2.gz ZASAVRDXXQJGKY-HNNXBMFYSA-N 1 0 421.461 1.142 20 0 HDADRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676090448 1075374395 /nfs/dbraw/zinc/37/43/95/1075374395.db2.gz WDNNSEQPWJUOEN-UHFFFAOYSA-N 1 0 423.521 1.561 20 0 HDADRO O=C(NCc1ccccc1Cn1cccn1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090427 1075374520 /nfs/dbraw/zinc/37/45/20/1075374520.db2.gz VJAXRRLAGDQECI-UHFFFAOYSA-N 1 0 401.430 1.767 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(OC3CCCC3)nc2)cn1 ZINC000676091867 1075376271 /nfs/dbraw/zinc/37/62/71/1075376271.db2.gz LKCMRZOTSAETOZ-UHFFFAOYSA-N 1 0 400.483 1.416 20 0 HDADRO O=C(NCc1ccnc(N2CCCCC2)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676091706 1075376290 /nfs/dbraw/zinc/37/62/90/1075376290.db2.gz HOQMPVYAGJUFKM-UHFFFAOYSA-N 1 0 405.462 1.908 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000676091249 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/nfs/dbraw/zinc/39/11/58/1075391158.db2.gz MUGNQFVUNDWUMA-WIYYLYMNSA-N 1 0 408.502 1.977 20 0 HDADRO O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000676131095 1075391215 /nfs/dbraw/zinc/39/12/15/1075391215.db2.gz MUGNQFVUNDWUMA-GHTZIAJQSA-N 1 0 408.502 1.977 20 0 HDADRO C[NH+]1CCN(c2cc(CNC(=O)C(F)(F)Oc3ccc(C=O)cc3)ccn2)CC1 ZINC000731610086 1075399126 /nfs/dbraw/zinc/39/91/26/1075399126.db2.gz FRAZJQGZCBZYCT-UHFFFAOYSA-N 1 0 404.417 1.934 20 0 HDADRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)c(OC)c1 ZINC000544457972 1075406043 /nfs/dbraw/zinc/40/60/43/1075406043.db2.gz JRMVVJQOEMVPQG-RTBURBONSA-N 1 0 419.522 1.628 20 0 HDADRO CC1CCC(NS(=O)(=O)CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000731599910 1075406626 /nfs/dbraw/zinc/40/66/26/1075406626.db2.gz OBGDVNGMKHBANO-UHFFFAOYSA-N 1 0 408.568 1.875 20 0 HDADRO CCn1nc2c(cc1=O)CN(C(=O)NC1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000676167165 1075416729 /nfs/dbraw/zinc/41/67/29/1075416729.db2.gz JVVWJRGGXCKZDJ-MOPGFXCFSA-N 1 0 403.527 1.099 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000556435734 1075421259 /nfs/dbraw/zinc/42/12/59/1075421259.db2.gz RINMOQGGVPGZND-CQSZACIVSA-N 1 0 414.485 1.986 20 0 HDADRO C[C@]1(n2cc(C[NH2+]C3CCN(C(=O)c4ccccc4)CC3)cn2)CCS(=O)(=O)C1 ZINC000676199082 1075433653 /nfs/dbraw/zinc/43/36/53/1075433653.db2.gz UORNYYUJJIVZMG-NRFANRHFSA-N 1 0 416.547 1.811 20 0 HDADRO CS(=O)(=O)CCN1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000731651080 1075434024 /nfs/dbraw/zinc/43/40/24/1075434024.db2.gz WBIUUNAZNLPDMG-IBGZPJMESA-N 1 0 407.580 1.524 20 0 HDADRO Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnn([C@@]4(C)CCS(=O)(=O)C4)c3)C2)nn1 ZINC000676200190 1075434539 /nfs/dbraw/zinc/43/45/39/1075434539.db2.gz YUKKXLNKMWTDBS-HKUYNNGSSA-N 1 0 404.540 1.274 20 0 HDADRO Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000541361136 1075444880 /nfs/dbraw/zinc/44/48/80/1075444880.db2.gz OGKUKNITSQCEAX-UHFFFAOYSA-N 1 0 405.543 1.940 20 0 HDADRO 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HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000676386010 1075533875 /nfs/dbraw/zinc/53/38/75/1075533875.db2.gz BABJDQGDUNTXKG-SJORKVTESA-N 1 0 414.506 1.567 20 0 HDADRO C[C@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCN1c1nccn2cnnc12 ZINC000676377861 1075537341 /nfs/dbraw/zinc/53/73/41/1075537341.db2.gz HERSZUJHJDYOLP-AWEZNQCLSA-N 1 0 404.438 1.448 20 0 HDADRO CN(C(=O)CCc1nc(-c2nc[nH]n2)no1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000676403741 1075544573 /nfs/dbraw/zinc/54/45/73/1075544573.db2.gz OOHZPBDKZHGRAV-UHFFFAOYSA-N 1 0 411.466 1.925 20 0 HDADRO C[NH+](C)CCCN1C(=O)C[C@@H](N2CCc3sc(Br)cc3C2)C1=O ZINC000676408022 1075545071 /nfs/dbraw/zinc/54/50/71/1075545071.db2.gz AUXNTBSACOYLRZ-GFCCVEGCSA-N 1 0 400.342 1.948 20 0 HDADRO CS(=O)(=O)c1ccc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)nc1 ZINC000561192920 1075545442 /nfs/dbraw/zinc/54/54/42/1075545442.db2.gz ADDQGBJCIGREPU-QGZVFWFLSA-N 1 0 402.520 1.795 20 0 HDADRO O=C(Cn1cc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cn1)NC1CCCC1 ZINC000676424191 1075545725 /nfs/dbraw/zinc/54/57/25/1075545725.db2.gz RYNRUPIISADIDU-IBGZPJMESA-N 1 0 403.527 1.269 20 0 HDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000731843369 1075547318 /nfs/dbraw/zinc/54/73/18/1075547318.db2.gz RDBMYQAIBREEGZ-IBGZPJMESA-N 1 0 413.566 1.619 20 0 HDADRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)Nc2ccn(CC[NH+](C)C)n2)s1 ZINC000554466912 1075547901 /nfs/dbraw/zinc/54/79/01/1075547901.db2.gz VOYLTIOLFKLKQC-VXGBXAGGSA-N 1 0 408.532 1.643 20 0 HDADRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)NN1C(=O)NC2(CCCCC2)C1=O ZINC000731842899 1075548131 /nfs/dbraw/zinc/54/81/31/1075548131.db2.gz JYXNYMQWCJNYLH-DGCLKSJQSA-N 1 0 406.405 1.050 20 0 HDADRO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](CCCO)CC(C)(C)C)C1=O ZINC000731842953 1075548510 /nfs/dbraw/zinc/54/85/10/1075548510.db2.gz LGSLDCJYEKSTRY-OAQYLSRUSA-N 1 0 404.511 1.605 20 0 HDADRO Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c2)cc1 ZINC000731878067 1075550033 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C[C@@H](CNC(=O)NCCCNc1ccc(C(F)(F)F)cn1)C[NH+]1CCN(C)CC1 ZINC000465536304 1075573728 /nfs/dbraw/zinc/57/37/28/1075573728.db2.gz BFHJFTSUIRUACD-HNNXBMFYSA-N 1 0 416.492 2.085 20 0 HDADRO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CCC[C@@H]3C[N@H+](C)CC[C@@H]31)CCO2 ZINC000676513600 1075575031 /nfs/dbraw/zinc/57/50/31/1075575031.db2.gz QHNNUPMRIPZZMJ-LZQZEXGQSA-N 1 0 401.507 1.968 20 0 HDADRO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CCO2 ZINC000676521994 1075576574 /nfs/dbraw/zinc/57/65/74/1075576574.db2.gz DRMUZFYZISRSQH-FCEWJHQRSA-N 1 0 419.522 1.641 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N1CCO[C@H](c2ccccc2Br)C1)C1CC1 ZINC000804221562 1075578070 /nfs/dbraw/zinc/57/80/70/1075578070.db2.gz NZGWNOSZBCPFLJ-KRWDZBQOSA-N 1 0 424.339 1.950 20 0 HDADRO NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000676539754 1075579991 /nfs/dbraw/zinc/57/99/91/1075579991.db2.gz DUIVKLRHVKXMAV-FZKQIMNGSA-N 1 0 410.515 1.631 20 0 HDADRO 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ZINC000733307134 1076034255 /nfs/dbraw/zinc/03/42/55/1076034255.db2.gz WSWRSGSMDOUNOG-RDJZCZTQSA-N 1 0 422.551 1.211 20 0 HDADRO C[C@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)Nc1cc(F)ccc1F ZINC000733306476 1076034577 /nfs/dbraw/zinc/03/45/77/1076034577.db2.gz KEQPVXMVKKVDIT-JTQLQIEISA-N 1 0 407.421 1.788 20 0 HDADRO COc1ccc([C@H](CNC(=S)NCCNS(C)(=O)=O)[NH+]2CCCCC2)cc1 ZINC000727067755 1076037297 /nfs/dbraw/zinc/03/72/97/1076037297.db2.gz JGUUHWIHMHHZEL-KRWDZBQOSA-N 1 0 414.597 1.236 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000727070052 1076038374 /nfs/dbraw/zinc/03/83/74/1076038374.db2.gz DMPBJZGQBKIVTN-UHFFFAOYSA-N 1 0 422.624 1.336 20 0 HDADRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=S)NCCNS(C)(=O)=O)C1 ZINC000727076333 1076038840 /nfs/dbraw/zinc/03/88/40/1076038840.db2.gz DMOBVXXLBHKPCY-HZPDHXFCSA-N 1 0 412.625 1.678 20 0 HDADRO CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1 ZINC000733294776 1076040928 /nfs/dbraw/zinc/04/09/28/1076040928.db2.gz CCTWPBLJUAEGLJ-DLBZAZTESA-N 1 0 410.559 1.801 20 0 HDADRO O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000727095514 1076043423 /nfs/dbraw/zinc/04/34/23/1076043423.db2.gz IZGVXDWYOJIWBI-OAQYLSRUSA-N 1 0 402.414 1.599 20 0 HDADRO C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1=O ZINC000727097655 1076043585 /nfs/dbraw/zinc/04/35/85/1076043585.db2.gz XWYHOXCEJUCKQQ-HXUWFJFHSA-N 1 0 408.393 1.812 20 0 HDADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)C2=O)cc1 ZINC000727110961 1076047008 /nfs/dbraw/zinc/04/70/08/1076047008.db2.gz UVXBPUXKXXGXPX-IIBYNOLFSA-N 1 0 400.479 1.159 20 0 HDADRO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727109001 1076047094 /nfs/dbraw/zinc/04/70/94/1076047094.db2.gz CBLROVILASEWEK-MSOLQXFVSA-N 1 0 402.495 1.244 20 0 HDADRO CN1CCC([NH+]2CCC(NC(=O)[C@H]3CSCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC000727153293 1076053757 /nfs/dbraw/zinc/05/37/57/1076053757.db2.gz JZIVWSHIGKUXEQ-QGZVFWFLSA-N 1 0 412.600 1.971 20 0 HDADRO CC(=O)N1CCC[C@H]1C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733398769 1076060087 /nfs/dbraw/zinc/06/00/87/1076060087.db2.gz PYMJRLASURQSBW-SFHVURJKSA-N 1 0 405.520 1.728 20 0 HDADRO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1nc2ccc(F)cc2o1 ZINC001082658170 1076062386 /nfs/dbraw/zinc/06/23/86/1076062386.db2.gz PSFCMAYDGFMSKM-BEXVUTDOSA-N 1 0 403.454 1.955 20 0 HDADRO O=C(COC(=O)Cn1ccccc1=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733419051 1076071979 /nfs/dbraw/zinc/07/19/79/1076071979.db2.gz YCRFSLWIVDIVSG-UHFFFAOYSA-N 1 0 401.488 1.579 20 0 HDADRO CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000727225020 1076084182 /nfs/dbraw/zinc/08/41/82/1076084182.db2.gz WGMFWLJQBVBLPU-GOSISDBHSA-N 1 0 423.558 1.383 20 0 HDADRO CC(=O)[C@H]1CC(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)=NN1c1ccccc1 ZINC000733539952 1076089693 /nfs/dbraw/zinc/08/96/93/1076089693.db2.gz ODSCXHCJVWPKPB-HXUWFJFHSA-N 1 0 412.490 1.497 20 0 HDADRO COC(=O)NCCCC(=O)OCC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000733542846 1076091568 /nfs/dbraw/zinc/09/15/68/1076091568.db2.gz MMVSPFLSYZGDQG-UHFFFAOYSA-N 1 0 405.495 1.709 20 0 HDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)CN(C)C(=O)C3CC3)CC2)cc1 ZINC000733517534 1076093614 /nfs/dbraw/zinc/09/36/14/1076093614.db2.gz PDSRGEJMHHXZFW-UHFFFAOYSA-N 1 0 417.506 1.141 20 0 HDADRO COC(=O)CNC(=O)COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000733530397 1076095424 /nfs/dbraw/zinc/09/54/24/1076095424.db2.gz IYUAEZRLCQSKCU-KRWDZBQOSA-N 1 0 402.369 1.273 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(N3CCOC3=O)cc2)c1 ZINC000727333251 1076098473 /nfs/dbraw/zinc/09/84/73/1076098473.db2.gz CPVISOGOFSMVDU-UHFFFAOYSA-N 1 0 410.474 1.865 20 0 HDADRO Cc1cc(C(=O)C(C(=S)NCC(=O)NC(C)C)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000727416933 1076107912 /nfs/dbraw/zinc/10/79/12/1076107912.db2.gz USYMPWBBZSHWOK-UHFFFAOYSA-O 1 0 416.571 1.790 20 0 HDADRO O=C(CC[C@H]1NC(=O)NC1=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727395901 1076112228 /nfs/dbraw/zinc/11/22/28/1076112228.db2.gz DMHYJNPWNKYSAG-QGZVFWFLSA-N 1 0 415.494 1.818 20 0 HDADRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000727466913 1076136977 /nfs/dbraw/zinc/13/69/77/1076136977.db2.gz IZQJNCREAIVWHB-SFHVURJKSA-N 1 0 416.522 1.748 20 0 HDADRO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000733665477 1076145328 /nfs/dbraw/zinc/14/53/28/1076145328.db2.gz QBZUHKNZEFLTQN-HNNXBMFYSA-N 1 0 411.524 1.036 20 0 HDADRO COC(=O)Nc1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)ccc1F ZINC000727617034 1076176685 /nfs/dbraw/zinc/17/66/85/1076176685.db2.gz GTGXNMIHDWDNDO-CQSZACIVSA-N 1 0 410.446 1.512 20 0 HDADRO CC[C@H](CO)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727607027 1076178522 /nfs/dbraw/zinc/17/85/22/1076178522.db2.gz CCFSGYGBYMDULX-MRXNPFEDSA-N 1 0 404.511 1.717 20 0 HDADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](O)C2)cc1 ZINC000727612670 1076182317 /nfs/dbraw/zinc/18/23/17/1076182317.db2.gz PMTKLASPFCLMCN-IBGZPJMESA-N 1 0 416.522 1.813 20 0 HDADRO NC(=O)[C@H]1CN(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CCO1 ZINC000727592559 1076185477 /nfs/dbraw/zinc/18/54/77/1076185477.db2.gz GSYLTYHAYVKLLC-GOSISDBHSA-N 1 0 417.510 1.609 20 0 HDADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000727621134 1076187411 /nfs/dbraw/zinc/18/74/11/1076187411.db2.gz HHYNKOSFRKAWQY-UHFFFAOYSA-N 1 0 407.478 1.711 20 0 HDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000727618295 1076195664 /nfs/dbraw/zinc/19/56/64/1076195664.db2.gz QFAVVTNTJVIMPT-UHFFFAOYSA-N 1 0 421.498 1.594 20 0 HDADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000733778791 1076204018 /nfs/dbraw/zinc/20/40/18/1076204018.db2.gz HIUGXRRTSYGQLL-DLBZAZTESA-N 1 0 419.547 1.944 20 0 HDADRO C[NH+]1CCN(C[C@@H](NC(=O)CN2c3ccccc3OCCC2=O)c2ccccc2)CC1 ZINC000727714940 1076208726 /nfs/dbraw/zinc/20/87/26/1076208726.db2.gz DVGVGSMGWODBBP-HXUWFJFHSA-N 1 0 422.529 1.907 20 0 HDADRO C[NH+](C)C1(CNC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CCOCC1 ZINC000733809317 1076211241 /nfs/dbraw/zinc/21/12/41/1076211241.db2.gz HRJMBIUJXSYWLY-UHFFFAOYSA-N 1 0 419.341 1.693 20 0 HDADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000733796571 1076215702 /nfs/dbraw/zinc/21/57/02/1076215702.db2.gz MRSSYKHKGFFQGO-QZTJIDSGSA-N 1 0 416.588 1.592 20 0 HDADRO C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[N@H+](C)C1CC1 ZINC000727741943 1076216833 /nfs/dbraw/zinc/21/68/33/1076216833.db2.gz RXFLFWVYDCFXBO-ZDUSSCGKSA-N 1 0 415.943 1.573 20 0 HDADRO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000022693320 1076218702 /nfs/dbraw/zinc/21/87/02/1076218702.db2.gz VHQTWKOPJFLPSB-SFHVURJKSA-N 1 0 411.568 1.445 20 0 HDADRO C[NH+]1CCN(c2cc(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)ccn2)CC1 ZINC000727768502 1076220996 /nfs/dbraw/zinc/22/09/96/1076220996.db2.gz FMSSLMPSNRWYOY-UHFFFAOYSA-N 1 0 403.527 1.963 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000727754282 1076228082 /nfs/dbraw/zinc/22/80/82/1076228082.db2.gz KCCIDIMHZZBMNA-SFHVURJKSA-N 1 0 401.492 1.107 20 0 HDADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727754937 1076229284 /nfs/dbraw/zinc/22/92/84/1076229284.db2.gz KQGSROYHHNYLOQ-IBGZPJMESA-N 1 0 400.504 1.281 20 0 HDADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccsc1 ZINC000727756162 1076230178 /nfs/dbraw/zinc/23/01/78/1076230178.db2.gz RAPFPWNGISHYFN-WBVHZDCISA-N 1 0 408.549 1.977 20 0 HDADRO COc1ccc2c(C)c(CCC(=O)NC[C@H](C)N3CC[NH+](C)CC3)c(=O)oc2c1 ZINC000733882493 1076238488 /nfs/dbraw/zinc/23/84/88/1076238488.db2.gz PMSUBLOFEWFAGX-HNNXBMFYSA-N 1 0 401.507 1.795 20 0 HDADRO Cc1cccc(C2N=NC(=S)N2CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000733882210 1076238570 /nfs/dbraw/zinc/23/85/70/1076238570.db2.gz FKDFKJTXUZPKPD-INIZCTEOSA-N 1 0 402.568 1.542 20 0 HDADRO CON(C)S(=O)(=O)c1cc(C(=O)NCC2([NH+](C)C)CCOCC2)ccc1Cl ZINC000733884546 1076239264 /nfs/dbraw/zinc/23/92/64/1076239264.db2.gz GMVFRRQAOADBGY-UHFFFAOYSA-N 1 0 419.931 1.363 20 0 HDADRO CC(C)(C)n1cc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000533456165 1076243096 /nfs/dbraw/zinc/24/30/96/1076243096.db2.gz ZMVNQFZGMSKBFN-UHFFFAOYSA-N 1 0 413.522 1.850 20 0 HDADRO CN1Cc2ccccc2[C@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000534530751 1076247936 /nfs/dbraw/zinc/24/79/36/1076247936.db2.gz JGBRNFSPVHJKBF-OAQYLSRUSA-N 1 0 409.534 1.964 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 ZINC000535353827 1076252674 /nfs/dbraw/zinc/25/26/74/1076252674.db2.gz GNWKLENIHCKODZ-QGZVFWFLSA-N 1 0 423.521 1.902 20 0 HDADRO COC(=O)c1cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1Br ZINC000733898399 1076258931 /nfs/dbraw/zinc/25/89/31/1076258931.db2.gz HQKCNAACGIZMAA-LLVKDONJSA-N 1 0 405.314 1.808 20 0 HDADRO NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000733898291 1076259070 /nfs/dbraw/zinc/25/90/70/1076259070.db2.gz HWBKUMGXDMWLHC-KRWDZBQOSA-N 1 0 404.515 1.111 20 0 HDADRO CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 ZINC000727805984 1076259239 /nfs/dbraw/zinc/25/92/39/1076259239.db2.gz HIUSJOXIAUHWSC-ZBWUASRJSA-N 1 0 412.534 1.732 20 0 HDADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000733898899 1076260019 /nfs/dbraw/zinc/26/00/19/1076260019.db2.gz RGNGFQFZJGNCCT-HNNXBMFYSA-N 1 0 404.554 1.072 20 0 HDADRO O=C(OCc1ccccc1)N1CC(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000733900611 1076260300 /nfs/dbraw/zinc/26/03/00/1076260300.db2.gz WZHGYTWINGYXAM-SFHVURJKSA-N 1 0 407.536 1.897 20 0 HDADRO COc1ccc(Cc2nnc(SCC(=O)NC3CC[NH+](C(C)C)CC3)n2N)cc1 ZINC000733903331 1076261645 /nfs/dbraw/zinc/26/16/45/1076261645.db2.gz LNTNYGJBEOJZOP-UHFFFAOYSA-N 1 0 418.567 1.672 20 0 HDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000727836271 1076265483 /nfs/dbraw/zinc/26/54/83/1076265483.db2.gz LREPOGUDAOAVHA-JTQLQIEISA-N 1 0 405.314 1.997 20 0 HDADRO CCN1CC[NH+](CCCCNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000733975810 1076280133 /nfs/dbraw/zinc/28/01/33/1076280133.db2.gz PCMPQMNEPZEMKF-INIZCTEOSA-N 1 0 400.589 1.830 20 0 HDADRO O=Cc1cccc(OCC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000733975236 1076280424 /nfs/dbraw/zinc/28/04/24/1076280424.db2.gz LEDBIXCZNXTBKH-UHFFFAOYSA-N 1 0 401.507 1.719 20 0 HDADRO CC(C)NS(=O)(=O)c1cc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)ccc1F ZINC000733976419 1076280872 /nfs/dbraw/zinc/28/08/72/1076280872.db2.gz PLQPBRNBGCYQHH-HNNXBMFYSA-N 1 0 414.547 1.126 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCOc3cccnc3)c(C)c2)CC1 ZINC000734075647 1076303154 /nfs/dbraw/zinc/30/31/54/1076303154.db2.gz NSZOJVIJSROKCQ-UHFFFAOYSA-N 1 0 411.506 1.666 20 0 HDADRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(=O)n(-c2ccccc2)n1C ZINC000728053422 1076320878 /nfs/dbraw/zinc/32/08/78/1076320878.db2.gz JYIZPPVQVQBMTF-DLBZAZTESA-N 1 0 414.506 1.896 20 0 HDADRO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000728053053 1076321371 /nfs/dbraw/zinc/32/13/71/1076321371.db2.gz 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O=C(Nc1ccc(N2CCNC(=O)C2)cc1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000730919828 1076693331 /nfs/dbraw/zinc/69/33/31/1076693331.db2.gz RGYQCRGIAGXXLV-IBGZPJMESA-N 1 0 413.522 1.038 20 0 HDADRO NS(=O)(=O)c1ccc(CC[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000730936224 1076696425 /nfs/dbraw/zinc/69/64/25/1076696425.db2.gz CBRKWJHOVRIMSU-UHFFFAOYSA-N 1 0 417.531 1.466 20 0 HDADRO NS(=O)(=O)c1ccc(CC[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000730938393 1076698089 /nfs/dbraw/zinc/69/80/89/1076698089.db2.gz ZXFWURPONWFICJ-UHFFFAOYSA-N 1 0 408.568 1.973 20 0 HDADRO COC(=O)CCCNC(=S)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730949327 1076700027 /nfs/dbraw/zinc/70/00/27/1076700027.db2.gz CPSLAUNGOCNOIM-KRWDZBQOSA-N 1 0 406.552 1.301 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731007695 1076708808 /nfs/dbraw/zinc/70/88/08/1076708808.db2.gz BYLWNQAODSDYBQ-UHFFFAOYSA-N 1 0 423.507 1.371 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)CSc3cccc[n+]3[O-])c2)C1 ZINC000731008765 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COc1cc2ncc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2cc1OC ZINC001164736961 720687948 /nfs/dbraw/zinc/68/79/48/720687948.db2.gz COMOHMKEFGERSJ-GJZGRUSLSA-N 1 0 408.462 1.779 20 0 HDADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cc-2n1 ZINC001164742660 720690071 /nfs/dbraw/zinc/69/00/71/720690071.db2.gz WGUCZAYGHJJQKY-KGLIPLIRSA-N 1 0 424.461 1.490 20 0 HDADRO CON(C)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737599 720705744 /nfs/dbraw/zinc/70/57/44/720705744.db2.gz GNDVMCGPMIGJMX-GJZGRUSLSA-N 1 0 418.885 1.500 20 0 HDADRO CCOC(=O)c1cc2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)[nH]c-2n1 ZINC001164746299 720731947 /nfs/dbraw/zinc/73/19/47/720731947.db2.gz XCMFKHARPJNPJW-HZPDHXFCSA-N 1 0 408.462 1.872 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@@H]43)nn2)CC1 ZINC001164848438 720769766 /nfs/dbraw/zinc/76/97/66/720769766.db2.gz PTHRIDNVDVUCOW-ACRUOGEOSA-N 1 0 424.549 1.967 20 0 HDADRO 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AOKDGMZNPOWVQB-HXUWFJFHSA-N 1 0 416.551 1.036 20 0 HDADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)nn2)CC1 ZINC001164925322 721837905 /nfs/dbraw/zinc/83/79/05/721837905.db2.gz OMBLEDJNKZPWCD-GCJKJVERSA-N 1 0 410.522 1.293 20 0 HDADRO COCCN1CCO[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@@H]2C1=O ZINC001164919858 721843796 /nfs/dbraw/zinc/84/37/96/721843796.db2.gz DJWYSYCZTJHASE-RBUKOAKNSA-N 1 0 418.538 1.256 20 0 HDADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncccc1S(=O)(=O)N1CCCCC1 ZINC001164934219 721884238 /nfs/dbraw/zinc/88/42/38/721884238.db2.gz QLWLITGHBKXHGV-QZTJIDSGSA-N 1 0 407.584 1.471 20 0 HDADRO CNS(=O)(=O)c1cccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164956048 722019440 /nfs/dbraw/zinc/01/94/40/722019440.db2.gz VFDIBRADMHBOQX-UHFFFAOYSA-N 1 0 401.536 1.877 20 0 HDADRO Cc1ccc(N(c2ccnc(N3CCN(C)CC3)n2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959039 722025268 /nfs/dbraw/zinc/02/52/68/722025268.db2.gz HOJXUYZMSGOYSA-GCJKJVERSA-N 1 0 424.553 1.376 20 0 HDADRO C[N@H+](Cc1ccc(N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)nc1)C1CC1 ZINC001164956598 722045679 /nfs/dbraw/zinc/04/56/79/722045679.db2.gz BKYQUSPFPZVZGN-IBGZPJMESA-N 1 0 414.550 1.910 20 0 HDADRO CCOC(=O)c1cnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc1C(=O)OCC ZINC001164967345 722069656 /nfs/dbraw/zinc/06/96/56/722069656.db2.gz NWHBDDWMIASVRS-GASCZTMLSA-N 1 0 404.467 1.129 20 0 HDADRO c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(N5CCOCC5)ncn4)CC[C@H]3C2)c1 ZINC001164982803 722102951 /nfs/dbraw/zinc/10/29/51/722102951.db2.gz PDBYXZDMJJFLCC-VQTJNVASSA-N 1 0 410.522 1.436 20 0 HDADRO CS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164983825 722136449 /nfs/dbraw/zinc/13/64/49/722136449.db2.gz VKDLUISAJWZZTM-MJGOQNOKSA-N 1 0 402.520 1.607 20 0 HDADRO NC(=O)c1ccnc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972210 722152982 /nfs/dbraw/zinc/15/29/82/722152982.db2.gz GXOHXJZHALETCA-RDJZCZTQSA-N 1 0 401.898 1.956 20 0 HDADRO Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5c4CC[NH2+]CC5)CC[C@H]32)cs1 ZINC001164984802 722174521 /nfs/dbraw/zinc/17/45/21/722174521.db2.gz FWPCWORVEMSABO-UXHICEINSA-N 1 0 414.579 1.800 20 0 HDADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc5c(nn4)CC[NH2+]C5)CC[C@H]32)cs1 ZINC001164986948 722184005 /nfs/dbraw/zinc/18/40/05/722184005.db2.gz GHUUOVRWNQASPB-MOPGFXCFSA-N 1 0 400.552 1.757 20 0 HDADRO COCCO[C@@H]1CCN(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]1Cc1cnn(C)c1 ZINC001164998728 722224148 /nfs/dbraw/zinc/22/41/48/722224148.db2.gz DYVJUCCJJJYZNV-VQTJNVASSA-N 1 0 414.554 1.420 20 0 HDADRO CC(C)c1nc(N(C)C)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165001910 722254402 /nfs/dbraw/zinc/25/44/02/722254402.db2.gz IZALHRVIBJEPNT-UHFFFAOYSA-N 1 0 402.547 1.746 20 0 HDADRO CCOc1ccc(C(=O)OC)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165002913 722254443 /nfs/dbraw/zinc/25/44/43/722254443.db2.gz XIXPZAUAJKNLFX-UHFFFAOYSA-N 1 0 417.510 1.952 20 0 HDADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12 ZINC001165002301 722254664 /nfs/dbraw/zinc/25/46/64/722254664.db2.gz NIVSYPRWDASZGB-UHFFFAOYSA-N 1 0 413.482 1.430 20 0 HDADRO CCCNC(=O)c1cccnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165003773 722256478 /nfs/dbraw/zinc/25/64/78/722256478.db2.gz HHPUGWHPVLUEAD-UHFFFAOYSA-N 1 0 400.527 1.906 20 0 HDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ncnc3c1CC[NH2+]CC3)C2 ZINC001165004232 722259870 /nfs/dbraw/zinc/25/98/70/722259870.db2.gz OTKRQMHMAYGQNP-QFIPXVFZSA-N 1 0 410.497 1.231 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2nnnn2CC(F)(F)F)CC1 ZINC000429045553 1073464544 /nfs/dbraw/zinc/46/45/44/1073464544.db2.gz KBNBTKHDSROWNK-UHFFFAOYSA-N 1 0 405.469 1.151 20 0 HDADRO Cc1cccc(N2CC[NH+](CCC(=O)N3CCN(C(=O)c4cccn4C)CC3)CC2)c1 ZINC000673640916 1073473836 /nfs/dbraw/zinc/47/38/36/1073473836.db2.gz OKMXSQMARORKIP-UHFFFAOYSA-N 1 0 423.561 1.830 20 0 HDADRO CNC(=O)Cn1cc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000429053902 1073476828 /nfs/dbraw/zinc/47/68/28/1073476828.db2.gz OHQAQGIJVKGXGH-GOSISDBHSA-N 1 0 400.483 1.042 20 0 HDADRO CCOC(=O)C1CCC(O)(C[NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CC1 ZINC000429055020 1073482459 /nfs/dbraw/zinc/48/24/59/1073482459.db2.gz RYCJNPLTSOIMLH-PDDLGQBUSA-N 1 0 409.571 1.536 20 0 HDADRO COCCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000429062642 1073497297 /nfs/dbraw/zinc/49/72/97/1073497297.db2.gz UXXSEGPIDNYFSB-IEBWSBKVSA-N 1 0 409.552 1.732 20 0 HDADRO C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000429075823 1073520300 /nfs/dbraw/zinc/52/03/00/1073520300.db2.gz LICLIOGCJWZVBS-LXPRWKDFSA-N 1 0 414.558 1.760 20 0 HDADRO COC(=O)Cn1cc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1 ZINC000429078512 1073522079 /nfs/dbraw/zinc/52/20/79/1073522079.db2.gz YDXMPPFLKUAVRO-JLYLLQBASA-N 1 0 412.494 1.446 20 0 HDADRO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)[C@@H]1c1cccs1 ZINC000509100246 1073523968 /nfs/dbraw/zinc/52/39/68/1073523968.db2.gz PUIGGOQZMRCLFV-IIAWOOMASA-N 1 0 401.554 1.244 20 0 HDADRO CC(C)C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)N1C(=O)c2ccccc2C1=O ZINC000429093254 1073551631 /nfs/dbraw/zinc/55/16/31/1073551631.db2.gz AQRRVYSUTJYTQG-XLIONFOSSA-N 1 0 415.534 1.906 20 0 HDADRO Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000625186552 1073565000 /nfs/dbraw/zinc/56/50/00/1073565000.db2.gz XBOZMLZFEMPUJZ-SFHVURJKSA-N 1 0 411.506 1.396 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000302174556 1073588212 /nfs/dbraw/zinc/58/82/12/1073588212.db2.gz QNQVMVGLYWAYAU-UHFFFAOYSA-N 1 0 420.373 1.822 20 0 HDADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)CC1=O ZINC000673657131 1073590243 /nfs/dbraw/zinc/59/02/43/1073590243.db2.gz SVXSJRSUXHJUCE-RBUKOAKNSA-N 1 0 407.518 1.527 20 0 HDADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCN1Cc1ccccn1 ZINC000673659327 1073609564 /nfs/dbraw/zinc/60/95/64/1073609564.db2.gz RUSIKZQMHDHVOU-NRFANRHFSA-N 1 0 423.565 1.555 20 0 HDADRO CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000673665118 1073618835 /nfs/dbraw/zinc/61/88/35/1073618835.db2.gz CFGXUMRYBMBPTG-WOJBJXKFSA-N 1 0 406.571 1.426 20 0 HDADRO COC[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000673674961 1073630970 /nfs/dbraw/zinc/63/09/70/1073630970.db2.gz JYQSCHDYXBKLID-GOEBONIOSA-N 1 0 401.429 1.919 20 0 HDADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673700896 1073644071 /nfs/dbraw/zinc/64/40/71/1073644071.db2.gz XESYACYFZOSMSV-UXHICEINSA-N 1 0 400.523 1.237 20 0 HDADRO C[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000673713169 1073652655 /nfs/dbraw/zinc/65/26/55/1073652655.db2.gz JYDWAOUBULSNRD-AZUAARDMSA-N 1 0 405.506 1.741 20 0 HDADRO CC(=O)N1CCCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c2ccccc21 ZINC000673714349 1073653614 /nfs/dbraw/zinc/65/36/14/1073653614.db2.gz NCWAWIFTTAYJKG-LJQANCHMSA-N 1 0 402.539 1.723 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000673716271 1073655049 /nfs/dbraw/zinc/65/50/49/1073655049.db2.gz QSXDWJSMZXRDPI-HXUWFJFHSA-N 1 0 410.518 1.770 20 0 HDADRO COCC[NH+]1CCC(NC(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)CC1 ZINC000303057540 1073657014 /nfs/dbraw/zinc/65/70/14/1073657014.db2.gz SYCUXXZOUOMNMV-UHFFFAOYSA-N 1 0 403.527 1.753 20 0 HDADRO O=C(NC[C@H]1CS(=O)(=O)CCO1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000509129237 1073680050 /nfs/dbraw/zinc/68/00/50/1073680050.db2.gz VPIZZQKLIDJMQL-KRWDZBQOSA-N 1 0 415.943 1.417 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000673756372 1073690573 /nfs/dbraw/zinc/69/05/73/1073690573.db2.gz CEUPAHQMOZKTBI-KRWDZBQOSA-N 1 0 410.522 1.030 20 0 HDADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000673750730 1073694142 /nfs/dbraw/zinc/69/41/42/1073694142.db2.gz FEBWKSBYQUBXPJ-YLJYHZDGSA-N 1 0 400.523 1.237 20 0 HDADRO CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000429126561 1073697509 /nfs/dbraw/zinc/69/75/09/1073697509.db2.gz HWIHZKOBUCNEPN-LPHOPBHVSA-N 1 0 408.568 1.478 20 0 HDADRO CC(=O)Nc1c(C)ccc(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1C ZINC000673760614 1073700190 /nfs/dbraw/zinc/70/01/90/1073700190.db2.gz OBRVFKXZTKFYCQ-UHFFFAOYSA-N 1 0 415.498 1.780 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cccn3c(=O)[nH]nc23)CC1 ZINC000509139576 1073707002 /nfs/dbraw/zinc/70/70/02/1073707002.db2.gz DILQXXSFDZUFPZ-UHFFFAOYSA-N 1 0 402.499 1.135 20 0 HDADRO COC(=O)C[C@](C)([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccn1 ZINC000509139342 1073707533 /nfs/dbraw/zinc/70/75/33/1073707533.db2.gz NOWHBMYBBMNXQC-QFIPXVFZSA-N 1 0 411.506 1.583 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2cnn(Cc3ccccn3)c2)CC1 ZINC000673764965 1073709722 /nfs/dbraw/zinc/70/97/22/1073709722.db2.gz BFEXDYHEIPJZSY-UHFFFAOYSA-N 1 0 406.494 1.795 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000673769979 1073714251 /nfs/dbraw/zinc/71/42/51/1073714251.db2.gz NTZCFDGDXOMECF-QGZVFWFLSA-N 1 0 408.568 1.716 20 0 HDADRO COCCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000483581657 1073715665 /nfs/dbraw/zinc/71/56/65/1073715665.db2.gz FFNKHTWIESYYQC-IEBWSBKVSA-N 1 0 418.538 1.135 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccccc1 ZINC000673778797 1073734747 /nfs/dbraw/zinc/73/47/47/1073734747.db2.gz AFXSVTBMWUWLQE-SFHVURJKSA-N 1 0 423.473 1.096 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)C1 ZINC000673788869 1073735445 /nfs/dbraw/zinc/73/54/45/1073735445.db2.gz COJPOQWNTQHJFE-MRXNPFEDSA-N 1 0 402.499 1.175 20 0 HDADRO CS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000673800836 1073749069 /nfs/dbraw/zinc/74/90/69/1073749069.db2.gz CHZZBRUJOPSZCH-PZJWPPBQSA-N 1 0 405.564 1.925 20 0 HDADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@@H](CO)C1 ZINC000673802055 1073750203 /nfs/dbraw/zinc/75/02/03/1073750203.db2.gz AHRSGQUCSUAHPE-LJQANCHMSA-N 1 0 403.523 1.015 20 0 HDADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cn2)C[C@@H](C)O1 ZINC000673810705 1073754000 /nfs/dbraw/zinc/75/40/00/1073754000.db2.gz CVBPYZNGUMYVMY-INMHGKMJSA-N 1 0 404.515 1.125 20 0 HDADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN1c1ncccn1 ZINC000673814437 1073757878 /nfs/dbraw/zinc/75/78/78/1073757878.db2.gz KAKJQSRWSWUADS-NRFANRHFSA-N 1 0 408.550 1.770 20 0 HDADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1Cc2ccccc2O[C@H](C)C1 ZINC000429142475 1073758497 /nfs/dbraw/zinc/75/84/97/1073758497.db2.gz NUUBODASEFFMSC-HZPDHXFCSA-N 1 0 417.531 1.664 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(CCCOCC(F)(F)F)CC2)cn1 ZINC000673809363 1073762474 /nfs/dbraw/zinc/76/24/74/1073762474.db2.gz ADIVTUXKVXFGCD-UHFFFAOYSA-N 1 0 406.453 1.563 20 0 HDADRO CC(C)c1nc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c[nH]1 ZINC000673820622 1073764490 /nfs/dbraw/zinc/76/44/90/1073764490.db2.gz YGBDRBRTUSQSEG-UHFFFAOYSA-N 1 0 413.588 1.638 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCN3c3ncccn3)cc2)CC1 ZINC000673815948 1073771820 /nfs/dbraw/zinc/77/18/20/1073771820.db2.gz GRJFSYYHUQINPX-NRFANRHFSA-N 1 0 408.550 1.899 20 0 HDADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000429148299 1073781899 /nfs/dbraw/zinc/78/18/99/1073781899.db2.gz HQJMNXGSRBCMSR-UHFFFAOYSA-N 1 0 417.510 1.169 20 0 HDADRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000216380256 1073793068 /nfs/dbraw/zinc/79/30/68/1073793068.db2.gz WRXUQGLEHNPQMD-RHSMWYFYSA-N 1 0 402.520 1.837 20 0 HDADRO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CC(N)=O)C2CCOCC2)cc1 ZINC000543490818 1073800458 /nfs/dbraw/zinc/80/04/58/1073800458.db2.gz SPMOCHGNFFLWHQ-RDTXWAMCSA-N 1 0 405.495 1.839 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000429156503 1073802099 /nfs/dbraw/zinc/80/20/99/1073802099.db2.gz FMGNDTCHAXPABV-UHFFFAOYSA-N 1 0 411.572 1.125 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000673839899 1073804976 /nfs/dbraw/zinc/80/49/76/1073804976.db2.gz IENDJQSAOGFNBO-FGZHOGPDSA-N 1 0 418.557 1.703 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)N[C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000429153718 1073806519 /nfs/dbraw/zinc/80/65/19/1073806519.db2.gz WGARREMDIXYKBD-GOSISDBHSA-N 1 0 416.566 1.985 20 0 HDADRO NC(=O)C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 ZINC000543492007 1073813356 /nfs/dbraw/zinc/81/33/56/1073813356.db2.gz DKIMCNUKECLRDD-OAHLLOKOSA-N 1 0 419.341 1.483 20 0 HDADRO Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)nc12 ZINC000673848348 1073814452 /nfs/dbraw/zinc/81/44/52/1073814452.db2.gz XIZMOCPVBWYWDC-CYBMUJFWSA-N 1 0 408.300 1.232 20 0 HDADRO CCn1c(N)c(C(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c(=O)[nH]c1=O ZINC000673841932 1073818463 /nfs/dbraw/zinc/81/84/63/1073818463.db2.gz MKNQFKQXLWYXQA-UHFFFAOYSA-N 1 0 414.462 1.907 20 0 HDADRO O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673859741 1073826625 /nfs/dbraw/zinc/82/66/25/1073826625.db2.gz NOYZQUPXSSXRKF-QZTJIDSGSA-N 1 0 408.524 1.190 20 0 HDADRO O=C(Cn1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1)NC1CCCC1 ZINC000673860432 1073828529 /nfs/dbraw/zinc/82/85/29/1073828529.db2.gz ZCMZUVHGZALEOS-ROUUACIJSA-N 1 0 404.515 1.005 20 0 HDADRO CN(C)S(=O)(=O)c1ccccc1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673864100 1073831679 /nfs/dbraw/zinc/83/16/79/1073831679.db2.gz FZHGROLNUYVADW-UHFFFAOYSA-N 1 0 400.464 1.839 20 0 HDADRO CN1CCN([C@H](CNC(=O)Nc2cnn(CC[NH+](C)C)c2)c2cccs2)CC1 ZINC000673870289 1073835762 /nfs/dbraw/zinc/83/57/62/1073835762.db2.gz LFRRQSKHIFPSAT-QGZVFWFLSA-N 1 0 405.572 1.616 20 0 HDADRO CCN(CC)C(=O)C1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000673872874 1073840556 /nfs/dbraw/zinc/84/05/56/1073840556.db2.gz OVLFNAVVOAZELG-UHFFFAOYSA-N 1 0 403.527 1.959 20 0 HDADRO COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000673874579 1073840656 /nfs/dbraw/zinc/84/06/56/1073840656.db2.gz QFGPXFDSSDQVDV-OAHLLOKOSA-N 1 0 401.529 1.463 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000673892262 1073864406 /nfs/dbraw/zinc/86/44/06/1073864406.db2.gz XWKGQABQTNENTK-UHFFFAOYSA-N 1 0 418.538 1.279 20 0 HDADRO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000673892993 1073865028 /nfs/dbraw/zinc/86/50/28/1073865028.db2.gz ABSGCEZPCAPZDX-KXBFYZLASA-N 1 0 407.536 1.657 20 0 HDADRO C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000673892991 1073865115 /nfs/dbraw/zinc/86/51/15/1073865115.db2.gz ABSGCEZPCAPZDX-DNVCBOLYSA-N 1 0 407.536 1.657 20 0 HDADRO CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN3CC[NH+](C(C)(C)CO)CC3)nc2c1 ZINC000673896733 1073866502 /nfs/dbraw/zinc/86/65/02/1073866502.db2.gz ZUAAYIVWNHEZAF-UHFFFAOYSA-N 1 0 423.583 1.482 20 0 HDADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000673907316 1073872854 /nfs/dbraw/zinc/87/28/54/1073872854.db2.gz WITDQOQGVTYCAL-UHFFFAOYSA-N 1 0 403.589 1.445 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](N3CCC[N@H+](C[C@H]4CCCO4)CC3)C2=O)c1 ZINC000673914959 1073886734 /nfs/dbraw/zinc/88/67/34/1073886734.db2.gz JKFCAKDQXKEYQO-NQIIRXRSSA-N 1 0 403.523 1.996 20 0 HDADRO COc1cc(OC)cc(N2CC[C@@H](N3CCC[N@H+](C[C@H]4CCCO4)CC3)C2=O)c1 ZINC000673914961 1073887063 /nfs/dbraw/zinc/88/70/63/1073887063.db2.gz JKFCAKDQXKEYQO-WIYYLYMNSA-N 1 0 403.523 1.996 20 0 HDADRO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000543507333 1073899063 /nfs/dbraw/zinc/89/90/63/1073899063.db2.gz YIVDKAJPEIEJAC-MJGOQNOKSA-N 1 0 409.552 1.065 20 0 HDADRO C[C@H]([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1CCCOC1 ZINC000543507165 1073900357 /nfs/dbraw/zinc/90/03/57/1073900357.db2.gz NZPKMQRMSHSWET-HKUYNNGSSA-N 1 0 423.579 1.882 20 0 HDADRO COCCOc1cc2c(cc1C[NH2+]C[C@H]1CCC[C@]13NC(=O)N(C)C3=O)OCO2 ZINC000673931669 1073903592 /nfs/dbraw/zinc/90/35/92/1073903592.db2.gz UYMLJIHIPXZRIG-VLIAUNLRSA-N 1 0 405.451 1.251 20 0 HDADRO C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000673940630 1073915060 /nfs/dbraw/zinc/91/50/60/1073915060.db2.gz ZFNLEPNWWCVKEC-MSOLQXFVSA-N 1 0 400.523 1.580 20 0 HDADRO CC(C)(O)C[NH+]1CCN(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000429171582 1073925683 /nfs/dbraw/zinc/92/56/83/1073925683.db2.gz OEDMNFZXHXRBQX-DENIHFKCSA-N 1 0 407.530 1.998 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000509176821 1073929958 /nfs/dbraw/zinc/92/99/58/1073929958.db2.gz CPPOGCTWRJSZDJ-GFCCVEGCSA-N 1 0 409.405 1.170 20 0 HDADRO C[C@H]([NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@H]1OCCc2sccc21 ZINC000429176419 1073951915 /nfs/dbraw/zinc/95/19/15/1073951915.db2.gz XKFFTFNUTVBDAR-HXPMCKFVSA-N 1 0 421.544 1.577 20 0 HDADRO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)c(C)c1 ZINC000484356706 1073956610 /nfs/dbraw/zinc/95/66/10/1073956610.db2.gz CXADMSXVOHJWRQ-UHFFFAOYSA-N 1 0 418.538 1.643 20 0 HDADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)NC1CCN(c2cccnn2)CC1 ZINC000429179238 1073967984 /nfs/dbraw/zinc/96/79/84/1073967984.db2.gz GZWCVGOAULPHRV-JOCHJYFZSA-N 1 0 410.522 1.382 20 0 HDADRO COc1ccccc1C(=O)N1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000673983624 1073975686 /nfs/dbraw/zinc/97/56/86/1073975686.db2.gz YGDXKIVXHVFUSO-FQEVSTJZSA-N 1 0 406.552 1.600 20 0 HDADRO CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000509187977 1073994575 /nfs/dbraw/zinc/99/45/75/1073994575.db2.gz YLLUIMWELGAZRH-QZTJIDSGSA-N 1 0 400.527 1.844 20 0 HDADRO CCc1cc(N2CCC(NC(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)ncn1 ZINC000673985668 1074001121 /nfs/dbraw/zinc/00/11/21/1074001121.db2.gz NRYUIQOSEGBLEG-MOPGFXCFSA-N 1 0 402.543 1.248 20 0 HDADRO C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000429188226 1074012235 /nfs/dbraw/zinc/01/22/35/1074012235.db2.gz ZAGDCOVWXBUZST-OAQYLSRUSA-N 1 0 415.582 1.545 20 0 HDADRO C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000429188223 1074012305 /nfs/dbraw/zinc/01/23/05/1074012305.db2.gz ZAGDCOVWXBUZST-NRFANRHFSA-N 1 0 415.582 1.545 20 0 HDADRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000543531034 1074022687 /nfs/dbraw/zinc/02/26/87/1074022687.db2.gz BLNLUFXIIJRVOM-SSDOTTSWSA-N 1 0 413.099 1.733 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000429190995 1074028337 /nfs/dbraw/zinc/02/83/37/1074028337.db2.gz GCNWAEJWZSJAJM-KRWDZBQOSA-N 1 0 411.572 1.125 20 0 HDADRO C[C@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000543534462 1074033093 /nfs/dbraw/zinc/03/30/93/1074033093.db2.gz MWQWDWJLGMEHIA-JKSUJKDBSA-N 1 0 401.511 1.387 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCc2c(C)nn(C)c2C)CC1 ZINC000466588756 1074038398 /nfs/dbraw/zinc/03/83/98/1074038398.db2.gz PFZPQZMOOAVFCG-UHFFFAOYSA-N 1 0 406.575 1.807 20 0 HDADRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 ZINC000674000396 1074041791 /nfs/dbraw/zinc/04/17/91/1074041791.db2.gz IMHVCOQRGYQGDL-UHFFFAOYSA-N 1 0 411.568 1.351 20 0 HDADRO Nc1ccccc1S(=O)(=O)NCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000670451660 1074043989 /nfs/dbraw/zinc/04/39/89/1074043989.db2.gz WSRCKCQWZWMSJU-UHFFFAOYSA-N 1 0 416.547 1.849 20 0 HDADRO C[NH+]1CCN(c2ccc(CNc3ncc(I)cn3)cn2)CC1 ZINC000766049966 1074056913 /nfs/dbraw/zinc/05/69/13/1074056913.db2.gz COLZTCORLLIOOQ-UHFFFAOYSA-N 1 0 410.263 1.840 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN[C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000543545298 1074058877 /nfs/dbraw/zinc/05/88/77/1074058877.db2.gz JWMCNMJYFNZDOR-IEBWSBKVSA-N 1 0 400.527 1.391 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000509199754 1074062632 /nfs/dbraw/zinc/06/26/32/1074062632.db2.gz YSLIBGMTSGDPAE-UHFFFAOYSA-N 1 0 417.597 1.679 20 0 HDADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466601416 1074066161 /nfs/dbraw/zinc/06/61/61/1074066161.db2.gz MTWQLPXGVAMKDU-IBGZPJMESA-N 1 0 415.538 1.477 20 0 HDADRO CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000058921635 1074078359 /nfs/dbraw/zinc/07/83/59/1074078359.db2.gz TUFZTGGXFZWXNL-UHFFFAOYSA-N 1 0 405.520 1.855 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c1 ZINC000509204042 1074084147 /nfs/dbraw/zinc/08/41/47/1074084147.db2.gz BYNHDTKWEYRMSV-UHFFFAOYSA-N 1 0 412.537 1.979 20 0 HDADRO C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1COc2ccccc21 ZINC000543557071 1074094535 /nfs/dbraw/zinc/09/45/35/1074094535.db2.gz IXNHKIFTXHPXMN-WMZOPIPTSA-N 1 0 402.539 1.200 20 0 HDADRO CC(C)(CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)S(C)(=O)=O ZINC000674029543 1074096821 /nfs/dbraw/zinc/09/68/21/1074096821.db2.gz KGEWVLOWDQBILP-KRWDZBQOSA-N 1 0 424.567 1.006 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000509205722 1074099559 /nfs/dbraw/zinc/09/95/59/1074099559.db2.gz NNBRYXQFTKWAPJ-YJBOKZPZSA-N 1 0 415.581 1.432 20 0 HDADRO CCC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543561278 1074100036 /nfs/dbraw/zinc/10/00/36/1074100036.db2.gz WRTIMKHORJKNQU-IBGZPJMESA-N 1 0 423.579 1.978 20 0 HDADRO Cn1c2ncn(CC[N@H+](C)[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)c2c(=O)n(C)c1=O ZINC000543560520 1074107800 /nfs/dbraw/zinc/10/78/00/1074107800.db2.gz GHYZMIJZWMFDKG-SJORKVTESA-N 1 0 415.469 1.425 20 0 HDADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000674039708 1074111541 /nfs/dbraw/zinc/11/15/41/1074111541.db2.gz SRHFWLBXECVGOS-UHFFFAOYSA-N 1 0 418.519 1.100 20 0 HDADRO O=C(NCCC1CCN(CC(F)(F)F)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000674037379 1074117351 /nfs/dbraw/zinc/11/73/51/1074117351.db2.gz GXFCKNBLVDHWRC-IRXDYDNUSA-N 1 0 406.493 1.891 20 0 HDADRO O=C(NC1CCN(c2cccnn2)CC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000429207283 1074117373 /nfs/dbraw/zinc/11/73/73/1074117373.db2.gz WYOWUNJPNNFGAN-FPOVZHCZSA-N 1 0 424.549 1.628 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)CC1 ZINC000509208674 1074121123 /nfs/dbraw/zinc/12/11/23/1074121123.db2.gz FBBMYCZYCVPGNO-UHFFFAOYSA-N 1 0 403.527 1.843 20 0 HDADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000674039998 1074123754 /nfs/dbraw/zinc/12/37/54/1074123754.db2.gz HTCJAQRAQWCYCJ-KDOFPFPSSA-N 1 0 412.494 1.039 20 0 HDADRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674048478 1074141761 /nfs/dbraw/zinc/14/17/61/1074141761.db2.gz SAIVLSOOQUUXOE-RDJZCZTQSA-N 1 0 416.547 1.965 20 0 HDADRO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c(=O)[nH]c1=O ZINC000543574850 1074148178 /nfs/dbraw/zinc/14/81/78/1074148178.db2.gz RIGXSSHCFDIWLX-OAHLLOKOSA-N 1 0 421.542 1.575 20 0 HDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)C1 ZINC000674055912 1074148228 /nfs/dbraw/zinc/14/82/28/1074148228.db2.gz IRUMWJULHZYECH-HOCLYGCPSA-N 1 0 409.556 1.926 20 0 HDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)C1 ZINC000674055541 1074149716 /nfs/dbraw/zinc/14/97/16/1074149716.db2.gz DMRYZDCPMONAJH-HOCLYGCPSA-N 1 0 409.556 1.974 20 0 HDADRO O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CC[N@@H+]1C2)c1cccc2nccnc21 ZINC000543578770 1074163484 /nfs/dbraw/zinc/16/34/84/1074163484.db2.gz ZGZUZWMAVUOVEH-ROUUACIJSA-N 1 0 401.470 1.959 20 0 HDADRO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)Nc2cnn(CC[NH+](C)C)c2)CCCC1 ZINC000674062257 1074176423 /nfs/dbraw/zinc/17/64/23/1074176423.db2.gz IZIPFLKGHBLVIK-UHFFFAOYSA-N 1 0 401.515 1.476 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCN1CCCS1(=O)=O ZINC000674157819 1074195054 /nfs/dbraw/zinc/19/50/54/1074195054.db2.gz PGBQDUZORWFPMD-IEBWSBKVSA-N 1 0 408.568 1.622 20 0 HDADRO O=C(NC[C@H]1SCCc2ccccc21)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674159732 1074196289 /nfs/dbraw/zinc/19/62/89/1074196289.db2.gz OPAWFJCRYYYLMI-UYAOXDASSA-N 1 0 404.580 1.723 20 0 HDADRO O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008122102 1074201386 /nfs/dbraw/zinc/20/13/86/1074201386.db2.gz HOQSVZWJQSACDQ-INIZCTEOSA-N 1 0 408.458 1.555 20 0 HDADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CCO)C2)c1 ZINC000674206518 1074222558 /nfs/dbraw/zinc/22/25/58/1074222558.db2.gz XQJIIQLAFDGYHR-QGZVFWFLSA-N 1 0 418.538 1.318 20 0 HDADRO C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000674215439 1074228813 /nfs/dbraw/zinc/22/88/13/1074228813.db2.gz HQCQNPXWHLGDPM-PGRDOPGGSA-N 1 0 424.545 1.653 20 0 HDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C(=O)N1CCCC1)C(C)C ZINC000674219102 1074230370 /nfs/dbraw/zinc/23/03/70/1074230370.db2.gz MRJBOMLWKZPNKW-SFHVURJKSA-N 1 0 404.511 1.459 20 0 HDADRO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000429222948 1074230394 /nfs/dbraw/zinc/23/03/94/1074230394.db2.gz PQNZLJCYXFRKHK-QGZVFWFLSA-N 1 0 424.567 1.902 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000674222943 1074232042 /nfs/dbraw/zinc/23/20/42/1074232042.db2.gz BNSPHCPNTCKXQL-MRXNPFEDSA-N 1 0 404.511 1.471 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000674225957 1074233591 /nfs/dbraw/zinc/23/35/91/1074233591.db2.gz NVEZLLGMGLXSRS-AUUYWEPGSA-N 1 0 412.465 1.890 20 0 HDADRO CSc1ccncc1NC(=O)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000674268140 1074248886 /nfs/dbraw/zinc/24/88/86/1074248886.db2.gz LINWGQDOFHKNAY-UHFFFAOYSA-N 1 0 413.547 1.806 20 0 HDADRO CSc1ccncc1NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000674270811 1074250514 /nfs/dbraw/zinc/25/05/14/1074250514.db2.gz JBNTWGYBICZXFX-DLBZAZTESA-N 1 0 414.531 1.741 20 0 HDADRO C[C@@H](C(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1)[NH+](C)C ZINC000674285854 1074256541 /nfs/dbraw/zinc/25/65/41/1074256541.db2.gz XBTDKJPMCZXJHD-ZDUSSCGKSA-N 1 0 403.552 1.870 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000674294518 1074257941 /nfs/dbraw/zinc/25/79/41/1074257941.db2.gz GXZPPYPTPFGXBZ-CTNGQTDRSA-N 1 0 424.586 1.153 20 0 HDADRO COc1ccc2c(c1)OC[C@@H](C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C2 ZINC000674308862 1074267005 /nfs/dbraw/zinc/26/70/05/1074267005.db2.gz 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HXRHPFJNVCPENM-UHFFFAOYSA-N 1 0 407.534 1.358 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCc2cc3c([nH]c2=O)CCC3)CC1 ZINC000674328916 1074278509 /nfs/dbraw/zinc/27/85/09/1074278509.db2.gz VZJMFEYSIRXJKK-UHFFFAOYSA-N 1 0 417.554 1.702 20 0 HDADRO O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674329928 1074278936 /nfs/dbraw/zinc/27/89/36/1074278936.db2.gz UXTKZGUMNZRPDA-OALUTQOASA-N 1 0 421.973 1.624 20 0 HDADRO COCCOc1c(Cl)cccc1NC(=O)C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000674320156 1074280841 /nfs/dbraw/zinc/28/08/41/1074280841.db2.gz DCJGYHZPHNBMCT-UHFFFAOYSA-N 1 0 413.902 1.531 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@@H](n3ccnc3)C2)CC1 ZINC000674330388 1074285729 /nfs/dbraw/zinc/28/57/29/1074285729.db2.gz ILTBYBVQTSVSDV-GOSISDBHSA-N 1 0 404.559 1.856 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCOC[C@H]2c2ccco2)CC1 ZINC000674331434 1074286319 /nfs/dbraw/zinc/28/63/19/1074286319.db2.gz MEOYOAAPBVULNE-KRWDZBQOSA-N 1 0 406.527 1.989 20 0 HDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000429225750 1074287162 /nfs/dbraw/zinc/28/71/62/1074287162.db2.gz HSROIETVFAYITJ-WRPWXNSMSA-N 1 0 410.584 1.422 20 0 HDADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000674356923 1074290561 /nfs/dbraw/zinc/29/05/61/1074290561.db2.gz AOTQYXUHQZFDBD-IBGZPJMESA-N 1 0 414.550 1.829 20 0 HDADRO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000674356990 1074290638 /nfs/dbraw/zinc/29/06/38/1074290638.db2.gz VCMZATLALVIEJW-QGZVFWFLSA-N 1 0 401.573 1.199 20 0 HDADRO CNS(=O)(=O)c1ccc(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cc1 ZINC000674386832 1074307312 /nfs/dbraw/zinc/30/73/12/1074307312.db2.gz XPKKTHLRXWDETR-UHFFFAOYSA-N 1 0 424.567 1.999 20 0 HDADRO COc1ccc(NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c(OC)n1 ZINC000674407775 1074311489 /nfs/dbraw/zinc/31/14/89/1074311489.db2.gz GNGYTYKEJYZDAM-UHFFFAOYSA-N 1 0 420.510 1.436 20 0 HDADRO 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CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)[C@H](C)C1 ZINC000674432797 1074343893 /nfs/dbraw/zinc/34/38/93/1074343893.db2.gz HWDGZKMPKUFDMM-JJDSTIRJSA-N 1 0 423.558 1.143 20 0 HDADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)C1 ZINC000674448554 1074347428 /nfs/dbraw/zinc/34/74/28/1074347428.db2.gz KPJLSJNRYMDYJR-DXEZIKHYSA-N 1 0 407.559 1.763 20 0 HDADRO CC1CCC([NH+]2CCN(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)CC2)CC1 ZINC000674441934 1074354844 /nfs/dbraw/zinc/35/48/44/1074354844.db2.gz XSAGXQPGHGDMCV-NNXXQBJGSA-N 1 0 405.543 1.613 20 0 HDADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@H]1NC(=O)NC1=O ZINC000140897618 1074363684 /nfs/dbraw/zinc/36/36/84/1074363684.db2.gz NENPOPDBRAHZIQ-CQSZACIVSA-N 1 0 400.401 1.584 20 0 HDADRO CCN1C(=O)[C@@H]2C[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)CCN2C1=O ZINC000674467539 1074366443 /nfs/dbraw/zinc/36/64/43/1074366443.db2.gz GHMHJJNGRYDOLR-FZMZJTMJSA-N 1 0 402.278 1.701 20 0 HDADRO 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/nfs/dbraw/zinc/75/18/54/1074751854.db2.gz HEYPQHICCVMDND-SFHVURJKSA-N 1 0 409.552 1.131 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C\c3ccc(C(N)=O)cc3)CC[C@@H]21 ZINC000766097532 1074753598 /nfs/dbraw/zinc/75/35/98/1074753598.db2.gz MGBQSUUGHZLJAF-NYILCQPWSA-N 1 0 424.545 1.732 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000675193757 1074753628 /nfs/dbraw/zinc/75/36/28/1074753628.db2.gz JOLUXAZZSFQFGQ-INIZCTEOSA-N 1 0 413.544 1.182 20 0 HDADRO COCC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670496386 1074753860 /nfs/dbraw/zinc/75/38/60/1074753860.db2.gz NXIGRTFNEIXNTM-UHFFFAOYSA-N 1 0 402.322 1.879 20 0 HDADRO Cc1cc(Br)ncc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000766096418 1074754371 /nfs/dbraw/zinc/75/43/71/1074754371.db2.gz SYAOCCJRENBZAB-AWEZNQCLSA-N 1 0 410.316 1.923 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000675198459 1074755695 /nfs/dbraw/zinc/75/56/95/1074755695.db2.gz VSMOJHFJLFRPOA-AQNXPRMDSA-N 1 0 407.603 1.883 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCCc3ccc4c(c3)OCCO4)CC2)C1 ZINC000675201807 1074756391 /nfs/dbraw/zinc/75/63/91/1074756391.db2.gz NHOSXEXSTLGVEL-IBGZPJMESA-N 1 0 402.539 1.812 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000477054552 1074758193 /nfs/dbraw/zinc/75/81/93/1074758193.db2.gz FUMVSNWMFPUQSF-LPHOPBHVSA-N 1 0 408.518 1.162 20 0 HDADRO Cc1coc(-c2cccc(NC(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)c2)n1 ZINC000675209541 1074758448 /nfs/dbraw/zinc/75/84/48/1074758448.db2.gz DZLLHHFDUCQUSE-LJQANCHMSA-N 1 0 411.506 1.827 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000675194941 1074759062 /nfs/dbraw/zinc/75/90/62/1074759062.db2.gz SGHQYRIIJJNXFC-CTNGQTDRSA-N 1 0 413.566 1.994 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000429323187 1074760937 /nfs/dbraw/zinc/76/09/37/1074760937.db2.gz SZDKUQQMIGRJSW-KRWDZBQOSA-N 1 0 423.602 1.511 20 0 HDADRO O=C(NCCNc1nc2ccccc2s1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000426569178 1074762049 /nfs/dbraw/zinc/76/20/49/1074762049.db2.gz XLHYOMYFHXFWBH-SJORKVTESA-N 1 0 403.552 2.385 20 0 HDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC[C@H]21 ZINC000766098467 1074764888 /nfs/dbraw/zinc/76/48/88/1074764888.db2.gz QZTICIXHHQPZLW-WMLDXEAASA-N 1 0 403.504 1.550 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000477061032 1074771163 /nfs/dbraw/zinc/77/11/63/1074771163.db2.gz FLZBAXHCKOQNJT-MRXNPFEDSA-N 1 0 422.957 1.400 20 0 HDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nn1-c1ccc(F)cc1F ZINC000573244517 1074771644 /nfs/dbraw/zinc/77/16/44/1074771644.db2.gz JFLYTMDYRAXHAM-WBVHZDCISA-N 1 0 403.433 2.140 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000477079621 1074781972 /nfs/dbraw/zinc/78/19/72/1074781972.db2.gz BBWIUDFCGPWCTR-ORYQWCPZSA-N 1 0 416.566 1.936 20 0 HDADRO CN(C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000675274035 1074782820 /nfs/dbraw/zinc/78/28/20/1074782820.db2.gz YIZZBYULTTWASN-LJQANCHMSA-N 1 0 422.595 1.964 20 0 HDADRO CS(=O)(=O)N1CC(CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000429328163 1074789567 /nfs/dbraw/zinc/78/95/67/1074789567.db2.gz AJWVNBPXODDSDS-UHFFFAOYSA-N 1 0 410.540 1.564 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000477085639 1074789984 /nfs/dbraw/zinc/78/99/84/1074789984.db2.gz TULYFPJMIHSGEI-GVDBMIGSSA-N 1 0 405.543 1.158 20 0 HDADRO Cc1cc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1Oc1cccnc1 ZINC000563786102 1074795517 /nfs/dbraw/zinc/79/55/17/1074795517.db2.gz GAPNLZJZQVQTIX-UHFFFAOYSA-N 1 0 408.462 2.518 20 0 HDADRO Cc1cc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1OC1CCOCC1 ZINC000527390709 1074795621 /nfs/dbraw/zinc/79/56/21/1074795621.db2.gz JBPVRMPKPNEDLY-UHFFFAOYSA-N 1 0 415.494 1.888 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000477103229 1074801280 /nfs/dbraw/zinc/80/12/80/1074801280.db2.gz VBPAAXHWGJQTPL-HUUCEWRRSA-N 1 0 423.945 1.759 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000477103744 1074802239 /nfs/dbraw/zinc/80/22/39/1074802239.db2.gz WYPUUSLGQDJJEZ-ROUUACIJSA-N 1 0 402.539 1.502 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000477107406 1074804668 /nfs/dbraw/zinc/80/46/68/1074804668.db2.gz MKNAHTZBOUTLFU-HOTGVXAUSA-N 1 0 406.527 1.245 20 0 HDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000675363738 1074813795 /nfs/dbraw/zinc/81/37/95/1074813795.db2.gz PLGLBRNLBSHIFL-ABAIWWIYSA-N 1 0 413.305 1.425 20 0 HDADRO O=C(NCc1ccccc1-n1ccnc1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000606049947 1074814537 /nfs/dbraw/zinc/81/45/37/1074814537.db2.gz DHMPVYHWNGPYBY-UHFFFAOYSA-N 1 0 401.430 1.767 20 0 HDADRO O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429332769 1075094540 /nfs/dbraw/zinc/09/45/40/1075094540.db2.gz PSRJHSQARSVARS-RTWAWAEBSA-N 1 0 414.550 1.584 20 0 HDADRO CCO[C@H]1CCCN(C(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000670510577 1075094658 /nfs/dbraw/zinc/09/46/58/1075094658.db2.gz QGTNABMAEMQHIL-PMACEKPBSA-N 1 0 403.523 1.976 20 0 HDADRO O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429332411 1075096041 /nfs/dbraw/zinc/09/60/41/1075096041.db2.gz PSRJHSQARSVARS-NHCUHLMSSA-N 1 0 414.550 1.584 20 0 HDADRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000571559880 1075096347 /nfs/dbraw/zinc/09/63/47/1075096347.db2.gz CGTBIOUVBLIFFC-AWEZNQCLSA-N 1 0 406.918 2.155 20 0 HDADRO CCCCO[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1(C)C ZINC000427210052 1075099667 /nfs/dbraw/zinc/09/96/67/1075099667.db2.gz GHNPVCAJOREHSF-ROUUACIJSA-N 1 0 419.570 2.531 20 0 HDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CNC(=O)Cc2ccccc2)CC1 ZINC000041667574 1075121135 /nfs/dbraw/zinc/12/11/35/1075121135.db2.gz WBIAURFFBVOOBR-UHFFFAOYSA-N 1 0 408.546 1.799 20 0 HDADRO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)n1 ZINC000675398243 1075123547 /nfs/dbraw/zinc/12/35/47/1075123547.db2.gz YWJWDWUUEYTIAI-KRWDZBQOSA-N 1 0 412.538 1.573 20 0 HDADRO O=C(Nc1ccccc1O[C@@H]1CCOC1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000675402010 1075126666 /nfs/dbraw/zinc/12/66/66/1075126666.db2.gz YAHSCNAHIAYUCX-QZTJIDSGSA-N 1 0 417.506 1.506 20 0 HDADRO C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000485761898 1075127780 /nfs/dbraw/zinc/12/77/80/1075127780.db2.gz LWEUHMMVSMKUTQ-QFBILLFUSA-N 1 0 408.568 1.035 20 0 HDADRO Cc1cc(NC(=O)CSCC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)no1 ZINC000461277285 1075130373 /nfs/dbraw/zinc/13/03/73/1075130373.db2.gz JUKCDDFWJXLYPY-UHFFFAOYSA-N 1 0 423.583 1.721 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C)C[C@H]3CCOC3)cc2)CC1 ZINC000675409904 1075135307 /nfs/dbraw/zinc/13/53/07/1075135307.db2.gz QHRCJBRYJWHNSM-IEBWSBKVSA-N 1 0 402.539 1.694 20 0 HDADRO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000675412978 1075137465 /nfs/dbraw/zinc/13/74/65/1075137465.db2.gz ZQIBKITWSLRGLY-ROUUACIJSA-N 1 0 418.538 1.183 20 0 HDADRO O=C(Nc1ccccc1C(=O)N1CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429251401 1075138027 /nfs/dbraw/zinc/13/80/27/1075138027.db2.gz BDLJRNIQODBNGU-QGZVFWFLSA-N 1 0 402.495 1.345 20 0 HDADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000559643239 1075150551 /nfs/dbraw/zinc/15/05/51/1075150551.db2.gz BPPHBVKGZIDMGB-CYBMUJFWSA-N 1 0 418.295 1.926 20 0 HDADRO CCC[C@@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1nnc2ccccn21 ZINC000426909212 1075150847 /nfs/dbraw/zinc/15/08/47/1075150847.db2.gz LTCNOCDMFGTIOX-MRXNPFEDSA-N 1 0 424.509 1.789 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675451503 1075152433 /nfs/dbraw/zinc/15/24/33/1075152433.db2.gz FTRMANOYDUVCRQ-DYVFJYSZSA-N 1 0 424.904 1.691 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000466680580 1075161832 /nfs/dbraw/zinc/16/18/32/1075161832.db2.gz LWWFIWRTQLMATQ-XLIONFOSSA-N 1 0 423.517 1.636 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)C1 ZINC000675461536 1075163378 /nfs/dbraw/zinc/16/33/78/1075163378.db2.gz NJUIJAOIBOHWSI-OAHLLOKOSA-N 1 0 406.552 1.317 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463983300 1075163889 /nfs/dbraw/zinc/16/38/89/1075163889.db2.gz IPBPRTBIGCAXHJ-HSZRJFAPSA-N 1 0 419.485 2.050 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000498670722 1075163985 /nfs/dbraw/zinc/16/39/85/1075163985.db2.gz ZSCWUJBUYVFBIV-CQSZACIVSA-N 1 0 406.450 1.608 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000466703723 1075165572 /nfs/dbraw/zinc/16/55/72/1075165572.db2.gz IMFCHHQWKPMYKW-ZDUSSCGKSA-N 1 0 411.853 1.649 20 0 HDADRO 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/nfs/dbraw/zinc/36/11/58/1075361158.db2.gz ZNKWHKOPFOMSPA-UHFFFAOYSA-N 1 0 412.556 1.113 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cn1 ZINC000676097443 1075361612 /nfs/dbraw/zinc/36/16/12/1075361612.db2.gz MKMJECTZGYDJNH-PHIMTYICSA-N 1 0 415.338 1.582 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000676097830 1075361698 /nfs/dbraw/zinc/36/16/98/1075361698.db2.gz VTZPKWLPJBRWDK-HXUWFJFHSA-N 1 0 404.474 1.939 20 0 HDADRO Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676097300 1075362040 /nfs/dbraw/zinc/36/20/40/1075362040.db2.gz ZVNYYXNAWRXYRA-QGZVFWFLSA-N 1 0 416.501 1.616 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000676098816 1075362975 /nfs/dbraw/zinc/36/29/75/1075362975.db2.gz WNECAFGNZVIJRY-OAHLLOKOSA-N 1 0 404.430 1.407 20 0 HDADRO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731481491 1075365362 /nfs/dbraw/zinc/36/53/62/1075365362.db2.gz 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C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](c2ccco2)N2CCCCC2)cn1 ZINC000676088424 1075371111 /nfs/dbraw/zinc/37/11/11/1075371111.db2.gz FVQOXVYOAIURPZ-QGZVFWFLSA-N 1 0 402.499 1.320 20 0 HDADRO NS(=O)(=O)c1ccc(CCC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000676088353 1075371537 /nfs/dbraw/zinc/37/15/37/1075371537.db2.gz ZAVPZWKBXPKEQE-RTBURBONSA-N 1 0 409.552 1.151 20 0 HDADRO C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731480840 1075371915 /nfs/dbraw/zinc/37/19/15/1075371915.db2.gz KOOWBSUAQLKILD-INIZCTEOSA-N 1 0 404.511 1.360 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000676089954 1075372002 /nfs/dbraw/zinc/37/20/02/1075372002.db2.gz MQOALEPNXFAWGE-HXUWFJFHSA-N 1 0 420.473 1.396 20 0 HDADRO Cc1ccc(N2C[C@H](C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)CC2=O)cc1F ZINC000731480402 1075372358 /nfs/dbraw/zinc/37/23/58/1075372358.db2.gz FOXIISLROZPHKQ-MRXNPFEDSA-N 1 0 418.513 1.546 20 0 HDADRO Cc1nn(-c2ccccc2)cc1CCCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676089419 1075372551 /nfs/dbraw/zinc/37/25/51/1075372551.db2.gz JXNRFCOLLFFXBH-UHFFFAOYSA-N 1 0 423.521 1.626 20 0 HDADRO C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676089483 1075372569 /nfs/dbraw/zinc/37/25/69/1075372569.db2.gz KIXOOSGNCOIKRB-ZDUSSCGKSA-N 1 0 422.327 1.893 20 0 HDADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)N1CCOCC1 ZINC000676090338 1075375303 /nfs/dbraw/zinc/37/53/03/1075375303.db2.gz QCIHFZWYAXMOIQ-LJQANCHMSA-N 1 0 414.510 1.459 20 0 HDADRO COc1cc([C@H](C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc(OC)c1OC ZINC000676090267 1075375597 /nfs/dbraw/zinc/37/55/97/1075375597.db2.gz VZBCCSUTIRUJKN-ZDUSSCGKSA-N 1 0 419.482 1.286 20 0 HDADRO COCCOc1ncccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466713945 1075379418 /nfs/dbraw/zinc/37/94/18/1075379418.db2.gz SHBZGXCOTQQDBT-FUHWJXTLSA-N 1 0 412.490 1.825 20 0 HDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804088227 1075379794 /nfs/dbraw/zinc/37/97/94/1075379794.db2.gz BEUHUBOMJNHUNV-ANQUJSFKSA-N 1 0 408.543 1.537 20 0 HDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804088389 1075379855 /nfs/dbraw/zinc/37/98/55/1075379855.db2.gz MIBBWSCYSYCTET-XMTFNYHQSA-N 1 0 422.570 1.881 20 0 HDADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000804089661 1075381791 /nfs/dbraw/zinc/38/17/91/1075381791.db2.gz CTXNMRMTGGYGGU-WCXIOVBPSA-N 1 0 410.559 1.880 20 0 HDADRO COc1ccc(C[C@H](CO)CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1O ZINC000491383374 1075388066 /nfs/dbraw/zinc/38/80/66/1075388066.db2.gz BYWJBBKLDUULIK-INIZCTEOSA-N 1 0 417.510 1.837 20 0 HDADRO O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000676131694 1075391173 /nfs/dbraw/zinc/39/11/73/1075391173.db2.gz UBFQYYWWJCTNAB-WIYYLYMNSA-N 1 0 408.502 1.977 20 0 HDADRO CNS(=O)(=O)c1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000676130215 1075391225 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CN(C)C(=O)N1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000509406353 1075506380 /nfs/dbraw/zinc/50/63/80/1075506380.db2.gz WCMXRVBFAOPBDX-UHFFFAOYSA-N 1 0 406.911 1.493 20 0 HDADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN([C@@H]2CCOC2)CC1 ZINC000676316800 1075506409 /nfs/dbraw/zinc/50/64/09/1075506409.db2.gz AJFCXVVMWZKBGN-DENIHFKCSA-N 1 0 400.567 1.562 20 0 HDADRO C[NH+](C)CCOc1cccc(NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1 ZINC000731753506 1075509459 /nfs/dbraw/zinc/50/94/59/1075509459.db2.gz LVZAYIJZZYXWCG-UHFFFAOYSA-N 1 0 412.556 1.258 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000731763928 1075517846 /nfs/dbraw/zinc/51/78/46/1075517846.db2.gz FOPJRTVNDWOOJN-CQSZACIVSA-N 1 0 410.540 1.041 20 0 HDADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000509406794 1075519639 /nfs/dbraw/zinc/51/96/39/1075519639.db2.gz WGZYWQGMZFZNJZ-WMZOPIPTSA-N 1 0 403.589 1.301 20 0 HDADRO Cc1nccc(N2CCN(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC000546827996 1075523724 /nfs/dbraw/zinc/52/37/24/1075523724.db2.gz LKQXTFCZBSBVBA-UHFFFAOYSA-N 1 0 423.565 1.434 20 0 HDADRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[NH+](C)C)cc1 ZINC000448533828 1075524031 /nfs/dbraw/zinc/52/40/31/1075524031.db2.gz ZJRCCJYINDJAIO-HNNXBMFYSA-N 1 0 411.428 2.365 20 0 HDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000543672287 1075525039 /nfs/dbraw/zinc/52/50/39/1075525039.db2.gz FWVOIJAVFILRFB-QFIPXVFZSA-N 1 0 418.582 1.420 20 0 HDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000731808579 1075527022 /nfs/dbraw/zinc/52/70/22/1075527022.db2.gz AUOSTYUCJLBEGU-SJORKVTESA-N 1 0 411.499 1.203 20 0 HDADRO Cc1ccc(N2CCN(C(=O)CC[NH+]3CCN(c4ccccn4)CC3)CC2=O)cc1 ZINC000804137329 1075529582 /nfs/dbraw/zinc/52/95/82/1075529582.db2.gz WMZZCEFMXHNPML-UHFFFAOYSA-N 1 0 407.518 1.778 20 0 HDADRO COCCNC(=O)c1c2c(sc1NC(=O)CN1CCC[C@@H]([NH+](C)C)C1)CCCC2 ZINC000731847918 1075531816 /nfs/dbraw/zinc/53/18/16/1075531816.db2.gz 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CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000676507702 1075572630 /nfs/dbraw/zinc/57/26/30/1075572630.db2.gz ZMDCNDSYCRDJEN-ICSRJNTNSA-N 1 0 405.564 1.867 20 0 HDADRO CS(=O)(=O)NC1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCC1 ZINC000676541880 1075580419 /nfs/dbraw/zinc/58/04/19/1075580419.db2.gz UUYKNLIRNSYFIF-FUHWJXTLSA-N 1 0 412.600 1.897 20 0 HDADRO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3C)C1)CCO2 ZINC000676530219 1075582404 /nfs/dbraw/zinc/58/24/04/1075582404.db2.gz JAJVMHXKVWZTGA-IPELMVKDSA-N 1 0 401.507 1.968 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)C1 ZINC000676552225 1075584880 /nfs/dbraw/zinc/58/48/80/1075584880.db2.gz ZCWWYPHDBCGOGC-OAQYLSRUSA-N 1 0 418.501 1.998 20 0 HDADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3cnc4c(c3)nnn4C)CC2)cc1 ZINC001273246992 1075587157 /nfs/dbraw/zinc/58/71/57/1075587157.db2.gz ITUQOUAUOVYROA-UHFFFAOYSA-N 1 0 407.478 1.716 20 0 HDADRO 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C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676546297 1075591181 /nfs/dbraw/zinc/59/11/81/1075591181.db2.gz CHDUZBAZFQKEPU-LJQANCHMSA-N 1 0 406.490 1.554 20 0 HDADRO CCN1C[C@@H](CN(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)Oc2ccccc21 ZINC000676546017 1075591508 /nfs/dbraw/zinc/59/15/08/1075591508.db2.gz CKQFFXSBTHQTEK-MRXNPFEDSA-N 1 0 414.510 1.129 20 0 HDADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1 ZINC000732035010 1075592025 /nfs/dbraw/zinc/59/20/25/1075592025.db2.gz JDLYHCWUIVMXFP-IIBYNOLFSA-N 1 0 400.479 1.157 20 0 HDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1Cl ZINC000732035811 1075592171 /nfs/dbraw/zinc/59/21/71/1075592171.db2.gz QYFSCSXQVJAUPW-CQSZACIVSA-N 1 0 401.916 1.831 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](O)Cc3ccccc3)cc2)CC1 ZINC000509424163 1075594500 /nfs/dbraw/zinc/59/45/00/1075594500.db2.gz CPUGBCWHKMHYIM-JOCHJYFZSA-N 1 0 424.545 1.482 20 0 HDADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)[NH+](C)C)cc1 ZINC000676547846 1075594822 /nfs/dbraw/zinc/59/48/22/1075594822.db2.gz MZYJXMYSMXWQOM-FQEVSTJZSA-N 1 0 406.490 1.992 20 0 HDADRO C[C@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[N@H+](C)Cc1ccccc1 ZINC000676549633 1075597661 /nfs/dbraw/zinc/59/76/61/1075597661.db2.gz FMBWMEQSXADWFH-QGZVFWFLSA-N 1 0 406.490 1.902 20 0 HDADRO CNC(=O)c1cncc(/C=C\C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000732058985 1075597695 /nfs/dbraw/zinc/59/76/95/1075597695.db2.gz ZYTSAHKKUWYUIO-CNZFZVQHSA-N 1 0 407.518 1.781 20 0 HDADRO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000732060876 1075597892 /nfs/dbraw/zinc/59/78/92/1075597892.db2.gz VQLVIAZTXZUGAV-ZQICTRMJSA-N 1 0 411.593 1.766 20 0 HDADRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)C2=O ZINC000490001305 1075602830 /nfs/dbraw/zinc/60/28/30/1075602830.db2.gz WNNPQGJDFCQHNF-JLTOFOAXSA-N 1 0 402.499 1.589 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)NCC3(OC)CCOCC3)cc2)CC1 ZINC000676564883 1075603180 /nfs/dbraw/zinc/60/31/80/1075603180.db2.gz KUJOJYBZHDRBIU-UHFFFAOYSA-N 1 0 404.555 1.819 20 0 HDADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ncn(CC(=O)N(C)C)n3)cc2)C1 ZINC000473999796 1075603643 /nfs/dbraw/zinc/60/36/43/1075603643.db2.gz JYGLTOROOIHCJE-MRXNPFEDSA-N 1 0 413.526 1.920 20 0 HDADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000676590279 1075607175 /nfs/dbraw/zinc/60/71/75/1075607175.db2.gz YRGPVIJANWHMAP-QRVBRYPASA-N 1 0 409.552 1.102 20 0 HDADRO CC(C)(CO)[C@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000676606288 1075611200 /nfs/dbraw/zinc/61/12/00/1075611200.db2.gz KCALCCYBODTKLB-LEWJYISDSA-N 1 0 418.582 1.494 20 0 HDADRO CN(CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)OC(C)(C)C ZINC000804182824 1075614344 /nfs/dbraw/zinc/61/43/44/1075614344.db2.gz IKVOOCVLCUQFDC-SFHVURJKSA-N 1 0 418.538 1.750 20 0 HDADRO O=C(NCCOc1ncccc1C(F)(F)F)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000676611626 1075614966 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NWCXMWYFTIXMAD-HNNXBMFYSA-N 1 0 421.501 1.648 20 0 HDADRO CN(C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000732159901 1075641915 /nfs/dbraw/zinc/64/19/15/1075641915.db2.gz LAHJLUWEJCHWGV-HXUWFJFHSA-N 1 0 420.579 1.971 20 0 HDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000732166165 1075644512 /nfs/dbraw/zinc/64/45/12/1075644512.db2.gz LUYSQIQFLHQYPX-CQSZACIVSA-N 1 0 415.943 1.573 20 0 HDADRO C[C@@H]1NC(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)=NN(c2ccccc2)C1=O ZINC000732136036 1075645290 /nfs/dbraw/zinc/64/52/90/1075645290.db2.gz ZFGOJKQNVYSNDD-INIZCTEOSA-N 1 0 409.490 1.928 20 0 HDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000732149341 1075649851 /nfs/dbraw/zinc/64/98/51/1075649851.db2.gz HVKVXWSGAAXJLP-RTBURBONSA-N 1 0 402.539 1.710 20 0 HDADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000676696916 1075650459 /nfs/dbraw/zinc/65/04/59/1075650459.db2.gz LFNCMEYVWWBCKT-KRWDZBQOSA-N 1 0 402.543 1.022 20 0 HDADRO Cc1nn(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(=S)n1CC(=O)N(C)C ZINC000732187722 1075653652 /nfs/dbraw/zinc/65/36/52/1075653652.db2.gz URZGOPSKBJTMEC-MRXNPFEDSA-N 1 0 402.568 1.975 20 0 HDADRO CN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)[C@H]1CCCc2c1cnn2C ZINC000676717696 1075654192 /nfs/dbraw/zinc/65/41/92/1075654192.db2.gz QSYDHKOWBWJGJG-INIZCTEOSA-N 1 0 401.536 1.775 20 0 HDADRO CN(Cn1ncc(Br)c(Br)c1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732189969 1075654565 /nfs/dbraw/zinc/65/45/65/1075654565.db2.gz VURUDCZCDMNFCK-JTQLQIEISA-N 1 0 406.122 1.894 20 0 HDADRO C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000732195037 1075656548 /nfs/dbraw/zinc/65/65/48/1075656548.db2.gz GBALAQFNVFCAED-KRWDZBQOSA-N 1 0 415.538 1.912 20 0 HDADRO CC(C)CN(C(=O)CON=C(N)C[N@@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000732195151 1075656984 /nfs/dbraw/zinc/65/69/84/1075656984.db2.gz JJMDVAZSNSTBHA-HZPDHXFCSA-N 1 0 402.561 1.031 20 0 HDADRO COc1cc(CNC(=O)CON=C(N)C[N@@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000732196121 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CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CN1CC[N@H+](CC)[C@@H](C)C1 ZINC000611091872 1075840155 /nfs/dbraw/zinc/84/01/55/1075840155.db2.gz BFTVCYPINSOVMT-ZDUSSCGKSA-N 1 0 424.567 1.900 20 0 HDADRO COC(=O)Nc1cc(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)ccc1F ZINC000732706676 1075841049 /nfs/dbraw/zinc/84/10/49/1075841049.db2.gz QWORQUOGBAHPOM-UHFFFAOYSA-N 1 0 410.446 1.512 20 0 HDADRO CC(C)N(C)c1ccccc1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427309308 1075844803 /nfs/dbraw/zinc/84/48/03/1075844803.db2.gz STTBZBCVGBJJFL-UHFFFAOYSA-N 1 0 412.538 2.249 20 0 HDADRO Cc1c(NC(=O)Nc2ccn(CC[NH+](C)C)n2)nnn1CCOc1ccc(F)cc1 ZINC000548972103 1075845381 /nfs/dbraw/zinc/84/53/81/1075845381.db2.gz GHYSLXFENMRNKO-UHFFFAOYSA-N 1 0 416.461 2.207 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cncc(I)c3)CC2)C1 ZINC000611134455 1075849914 /nfs/dbraw/zinc/84/99/14/1075849914.db2.gz PDSMXOIUJWANLP-HNNXBMFYSA-N 1 0 414.291 1.538 20 0 HDADRO COC(=O)c1c(C)cccc1S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000611145493 1075856013 /nfs/dbraw/zinc/85/60/13/1075856013.db2.gz LKXUITSFJIOZRW-HNNXBMFYSA-N 1 0 413.540 1.152 20 0 HDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(F)c2I)C1 ZINC000611148061 1075856538 /nfs/dbraw/zinc/85/65/38/1075856538.db2.gz FXXBNAQLJRHQOT-VIFPVBQESA-N 1 0 405.211 1.579 20 0 HDADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cccc(F)c2I)CC1 ZINC000611147869 1075856784 /nfs/dbraw/zinc/85/67/84/1075856784.db2.gz HTMORZCUGQOCPV-UHFFFAOYSA-N 1 0 419.238 1.921 20 0 HDADRO O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NCc1ccccc1C[NH+]1CCCC1 ZINC000429055947 1075862437 /nfs/dbraw/zinc/86/24/37/1075862437.db2.gz XPQPSAMATWDVGD-UHFFFAOYSA-N 1 0 422.489 2.294 20 0 HDADRO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000732807367 1075862950 /nfs/dbraw/zinc/86/29/50/1075862950.db2.gz ONSROITYERWSDF-QGOAFFKASA-N 1 0 415.519 1.889 20 0 HDADRO COC(=O)c1sccc1NC(=O)CN1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000611181205 1075868119 /nfs/dbraw/zinc/86/81/19/1075868119.db2.gz UAPGXYYKFVSGHG-UHFFFAOYSA-N 1 0 408.568 1.964 20 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COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@]2(CO)CCc3ccccc32)c(OC)c1 ZINC000611225187 1075880374 /nfs/dbraw/zinc/88/03/74/1075880374.db2.gz UDARVIWJNJYTLB-VGSWGCGISA-N 1 0 401.459 1.645 20 0 HDADRO CCOC(=O)C[C@@H](O)C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000611237435 1075881672 /nfs/dbraw/zinc/88/16/72/1075881672.db2.gz LCMZQSVCWBFLJA-XJKSGUPXSA-N 1 0 404.463 1.615 20 0 HDADRO CCOC(=O)c1cc(C)sc1NC(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611244310 1075884738 /nfs/dbraw/zinc/88/47/38/1075884738.db2.gz UFOYLSHRNZHLDN-INIZCTEOSA-N 1 0 422.551 1.586 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3c(C)nn(C)c3OC)cc2)CC1 ZINC000732850526 1075885373 /nfs/dbraw/zinc/88/53/73/1075885373.db2.gz BYYZTURBZLQKBO-UHFFFAOYSA-N 1 0 415.494 1.675 20 0 HDADRO CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732890123 1075893971 /nfs/dbraw/zinc/89/39/71/1075893971.db2.gz WBRGMPGGYOVCFE-HOTGVXAUSA-N 1 0 400.445 1.964 20 0 HDADRO 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ZINC000611406762 1075926753 /nfs/dbraw/zinc/92/67/53/1075926753.db2.gz WLXMLLMFGVAHTM-IBGZPJMESA-N 1 0 405.539 1.744 20 0 HDADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(CCO)CCN3CCOCC3)cc2)C1 ZINC000489768251 1075928242 /nfs/dbraw/zinc/92/82/42/1075928242.db2.gz CYFJEKGWWYIZJO-HXUWFJFHSA-N 1 0 418.582 1.755 20 0 HDADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(CCO)CCN2CCOCC2)C1 ZINC000489800213 1075931840 /nfs/dbraw/zinc/93/18/40/1075931840.db2.gz AIOZTRCLWLUXRH-HXUWFJFHSA-N 1 0 418.582 1.755 20 0 HDADRO COc1ccccc1[C@H](CNC(=O)N(CCO)CCN1CCOCC1)[NH+]1CCCC1 ZINC000489804997 1075932193 /nfs/dbraw/zinc/93/21/93/1075932193.db2.gz KIVVOBLSLKTTCG-FQEVSTJZSA-N 1 0 420.554 1.168 20 0 HDADRO COC(=O)CC(C)(C)CC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000611441446 1075934533 /nfs/dbraw/zinc/93/45/33/1075934533.db2.gz MPOAUOLILJFQOH-GOSISDBHSA-N 1 0 403.523 1.980 20 0 HDADRO COc1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc2c1OCCO2 ZINC000732985556 1075938497 /nfs/dbraw/zinc/93/84/97/1075938497.db2.gz JAOAHEGVBIIUOE-UHFFFAOYSA-N 1 0 406.451 1.820 20 0 HDADRO COC(=O)c1csc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1C ZINC000611457275 1075938907 /nfs/dbraw/zinc/93/89/07/1075938907.db2.gz PSSPARKFKZLZPN-AWEZNQCLSA-N 1 0 409.508 1.495 20 0 HDADRO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000732986071 1075939438 /nfs/dbraw/zinc/93/94/38/1075939438.db2.gz WJIDCVCHILZNKF-UHFFFAOYSA-N 1 0 403.430 1.760 20 0 HDADRO COC(=O)c1csc(NC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1C ZINC000611459495 1075940408 /nfs/dbraw/zinc/94/04/08/1075940408.db2.gz MBQRHOAXQUDMRH-UHFFFAOYSA-N 1 0 411.524 1.787 20 0 HDADRO C[NH+](C)C1(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CCCCC1 ZINC000732990547 1075940957 /nfs/dbraw/zinc/94/09/57/1075940957.db2.gz OEJNPRIDNARIPG-UHFFFAOYSA-N 1 0 410.531 1.815 20 0 HDADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC000732989121 1075941000 /nfs/dbraw/zinc/94/10/00/1075941000.db2.gz OIDNTYLKECKTIR-IAGOWNOFSA-N 1 0 410.559 1.550 20 0 HDADRO CC1(C)CC(NC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC(C)(C)[NH2+]1 ZINC000732990318 1075941285 /nfs/dbraw/zinc/94/12/85/1075941285.db2.gz JDHZWBWMAMPMFJ-UHFFFAOYSA-N 1 0 410.531 1.859 20 0 HDADRO C[C@@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000611492713 1075946223 /nfs/dbraw/zinc/94/62/23/1075946223.db2.gz KPFSZNWTXWPJEV-ZWNOBZJWSA-N 1 0 407.414 1.369 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1N1C(=O)CCC1=O ZINC000733046078 1075953138 /nfs/dbraw/zinc/95/31/38/1075953138.db2.gz FZEFCZDUYMJHRS-OAHLLOKOSA-N 1 0 400.479 1.578 20 0 HDADRO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000611533781 1075955112 /nfs/dbraw/zinc/95/51/12/1075955112.db2.gz ZILKAAADACIEBK-OAHLLOKOSA-N 1 0 411.462 1.712 20 0 HDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000733049342 1075955804 /nfs/dbraw/zinc/95/58/04/1075955804.db2.gz CBLAOAVXZAKGDO-UHFFFAOYSA-N 1 0 420.510 1.821 20 0 HDADRO Cc1cc(NC(=O)NCCCC[NH+]2CCN(C)CC2)ccc1N1C(=O)CCC1=O ZINC000733036996 1075960883 /nfs/dbraw/zinc/96/08/83/1075960883.db2.gz RCRCYCJMEMNMDW-UHFFFAOYSA-N 1 0 401.511 1.798 20 0 HDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000733039974 1075962713 /nfs/dbraw/zinc/96/27/13/1075962713.db2.gz YQVIMCXHBRNXKD-KBPBESRZSA-N 1 0 410.531 1.670 20 0 HDADRO CC[C@@H]1C[C@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079166802 1075965208 /nfs/dbraw/zinc/96/52/08/1075965208.db2.gz BCHJIMSTENXIPX-BUAHTRFOSA-N 1 0 403.567 1.887 20 0 HDADRO CC1(C)C[C@@H]1C(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079162859 1075966042 /nfs/dbraw/zinc/96/60/42/1075966042.db2.gz GBODAFOBTJZFRR-FZWBFHRNSA-N 1 0 403.567 1.887 20 0 HDADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCn2cncn2)C1 ZINC001079192399 1075966903 /nfs/dbraw/zinc/96/69/03/1075966903.db2.gz FAELNWXKZKAOLB-FYBDHJHVSA-N 1 0 411.481 1.425 20 0 HDADRO Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]4COC[C@@H]43)CC2)ncn1 ZINC001079253063 1075967645 /nfs/dbraw/zinc/96/76/45/1075967645.db2.gz YPCRIBOERFWSCA-CSGHFTSRSA-N 1 0 424.545 1.648 20 0 HDADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC2(CC[NH+](Cc3cccnc3)CC2)[C@H]2COC[C@H]21 ZINC001079252508 1075967653 /nfs/dbraw/zinc/96/76/53/1075967653.db2.gz MCQBALXWXXBUAB-CSGHFTSRSA-N 1 0 409.530 1.944 20 0 HDADRO Cn1nccc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3COC[C@@H]32)CC1 ZINC001079262799 1075968043 /nfs/dbraw/zinc/96/80/43/1075968043.db2.gz BIDZRCSONASHST-OBKDMQGPSA-N 1 0 400.523 1.427 20 0 HDADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(CCO)CCN1CCOCC1 ZINC000491347641 1075975077 /nfs/dbraw/zinc/97/50/77/1075975077.db2.gz WICZHDIGKDQYCA-PMACEKPBSA-N 1 0 418.582 1.479 20 0 HDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000733143019 1075975415 /nfs/dbraw/zinc/97/54/15/1075975415.db2.gz BXTAEJRDDBQQCH-KSQXCSSUSA-N 1 0 406.486 1.832 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nn2cnc3sc(C)c(C)c3c2=O)CC1=O ZINC000733129344 1075979502 /nfs/dbraw/zinc/97/95/02/1075979502.db2.gz WDRQGTIJOWUJFN-LSDHHAIUSA-N 1 0 417.535 1.478 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000733151697 1075987007 /nfs/dbraw/zinc/98/70/07/1075987007.db2.gz LFSWVGUYOTUVJZ-IGCAKMCNSA-N 1 0 407.518 1.605 20 0 HDADRO O=C(CCn1cc[nH]c(=O)c1=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000733152952 1075987661 /nfs/dbraw/zinc/98/76/61/1075987661.db2.gz WTTLOMMQWFHLHX-UHFFFAOYSA-N 1 0 404.898 1.705 20 0 HDADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000733157415 1075990250 /nfs/dbraw/zinc/99/02/50/1075990250.db2.gz WUPSKGYGTCGWBR-GOSISDBHSA-N 1 0 416.570 1.199 20 0 HDADRO COC1(C(=O)N2CCC(OCC[NH+](C)C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000733157229 1075990268 /nfs/dbraw/zinc/99/02/68/1075990268.db2.gz VWGHADOCYNRHAJ-UHFFFAOYSA-N 1 0 413.559 1.972 20 0 HDADRO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC(N4CCCS4(=O)=O)CC3)cc2)CC1 ZINC001299300113 1075991644 /nfs/dbraw/zinc/99/16/44/1075991644.db2.gz AVEUHDCYJSFSNH-UHFFFAOYSA-N 1 0 420.579 1.074 20 0 HDADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000733159980 1075992489 /nfs/dbraw/zinc/99/24/89/1075992489.db2.gz YXUAGIIALLWRNX-MOPGFXCFSA-N 1 0 403.548 1.961 20 0 HDADRO CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493874283 1075992828 /nfs/dbraw/zinc/99/28/28/1075992828.db2.gz OCBYSHXTWGNFBU-GFCCVEGCSA-N 1 0 405.446 1.867 20 0 HDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC000733159573 1075993199 /nfs/dbraw/zinc/99/31/99/1075993199.db2.gz TUSJJKXRQSFYRR-OAHLLOKOSA-N 1 0 414.547 1.268 20 0 HDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C2(OC)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000733161853 1075994203 /nfs/dbraw/zinc/99/42/03/1075994203.db2.gz KGAHWBJCRVBTAG-KRWDZBQOSA-N 1 0 412.575 1.545 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733162340 1075996045 /nfs/dbraw/zinc/99/60/45/1075996045.db2.gz YMJCBIKWBYLATF-INIZCTEOSA-N 1 0 401.515 1.016 20 0 HDADRO COc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000733163393 1075996725 /nfs/dbraw/zinc/99/67/25/1075996725.db2.gz DIFKPHAIDIHPKQ-MRXNPFEDSA-N 1 0 413.540 1.032 20 0 HDADRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000733164832 1075997320 /nfs/dbraw/zinc/99/73/20/1075997320.db2.gz CPABADBRSMPEDN-WBVHZDCISA-N 1 0 423.535 1.326 20 0 HDADRO CCc1ccc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000733167986 1075998487 /nfs/dbraw/zinc/99/84/87/1075998487.db2.gz ZEYZQSUWMMOXSV-GOSISDBHSA-N 1 0 411.568 1.586 20 0 HDADRO COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C[NH+](C)C)C(C)C)cc1OC ZINC000733168019 1075999097 /nfs/dbraw/zinc/99/90/97/1075999097.db2.gz QMONSOKEMXDOCM-HNNXBMFYSA-N 1 0 401.529 1.075 20 0 HDADRO COc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C[NH+](C)C)C(C)C)cc1OC ZINC000733168020 1075999155 /nfs/dbraw/zinc/99/91/55/1075999155.db2.gz QMONSOKEMXDOCM-OAHLLOKOSA-N 1 0 401.529 1.075 20 0 HDADRO C[NH+](C)CCC1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 ZINC000733169027 1075999693 /nfs/dbraw/zinc/99/96/93/1075999693.db2.gz OUJPOXTWFZEONL-UHFFFAOYSA-N 1 0 405.520 1.797 20 0 HDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000733169371 1076000149 /nfs/dbraw/zinc/00/01/49/1076000149.db2.gz YNPFVNTWMMNQBD-HNNXBMFYSA-N 1 0 414.572 1.213 20 0 HDADRO Cc1cc(Cn2nnc(C(=O)NCc3ccc(C[NH+]4CCC(O)CC4)cc3)c2C)no1 ZINC000512252919 1076001033 /nfs/dbraw/zinc/00/10/33/1076001033.db2.gz NHKFYVBXHIHLFY-UHFFFAOYSA-N 1 0 424.505 1.818 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)CN(C)[C@@H](C)CS(=O)(=O)CC)cc2)CC1 ZINC000733196003 1076001858 /nfs/dbraw/zinc/00/18/58/1076001858.db2.gz CSSWEDUNJYDSNO-KRWDZBQOSA-N 1 0 410.584 1.522 20 0 HDADRO CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)C1([NH+](C)C)CCC1 ZINC001081101963 1076002142 /nfs/dbraw/zinc/00/21/42/1076002142.db2.gz 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C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@H](O)c2ccc(F)cc2)c1 ZINC000727480365 1076139590 /nfs/dbraw/zinc/13/95/90/1076139590.db2.gz WUOGAAUCGFOTNT-IBGZPJMESA-N 1 0 402.470 1.650 20 0 HDADRO COC(=O)N1CCC(NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000727480403 1076140021 /nfs/dbraw/zinc/14/00/21/1076140021.db2.gz XURMGGMMFQNOII-UHFFFAOYSA-N 1 0 405.499 1.008 20 0 HDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000733650370 1076141137 /nfs/dbraw/zinc/14/11/37/1076141137.db2.gz ZGOGSEAQCMARMX-IEBWSBKVSA-N 1 0 402.495 1.766 20 0 HDADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000733667935 1076148728 /nfs/dbraw/zinc/14/87/28/1076148728.db2.gz FSBXQSSYHZABFC-HZPDHXFCSA-N 1 0 424.567 1.047 20 0 HDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000733668008 1076148759 /nfs/dbraw/zinc/14/87/59/1076148759.db2.gz AJXXNDVXUZKCKA-SFHVURJKSA-N 1 0 402.495 1.958 20 0 HDADRO COC(=O)Cc1ccc(S(=O)(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000733731116 1076176692 /nfs/dbraw/zinc/17/66/92/1076176692.db2.gz IOSXHCLVFMLJRM-UHFFFAOYSA-N 1 0 403.504 1.955 20 0 HDADRO CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000727611948 1076181449 /nfs/dbraw/zinc/18/14/49/1076181449.db2.gz FRUHXWXNLNJFKE-CYBMUJFWSA-N 1 0 403.483 1.968 20 0 HDADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)C(=O)NCc2cc[nH]n2)cc1 ZINC000727612618 1076182704 /nfs/dbraw/zinc/18/27/04/1076182704.db2.gz OMRVIIWUPBCFPV-UHFFFAOYSA-N 1 0 412.494 1.869 20 0 HDADRO Cn1ccnc1[C@](O)(CC[NH2+]Cc1cccc(NS(C)(=O)=O)c1)C(F)(F)F ZINC000727645620 1076199218 /nfs/dbraw/zinc/19/92/18/1076199218.db2.gz VRUIMPCOODRIJJ-OAHLLOKOSA-N 1 0 406.430 1.721 20 0 HDADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]([C@@H](C)C3CC3)C3CC3)C2=O)c1 ZINC000733793696 1076202141 /nfs/dbraw/zinc/20/21/41/1076202141.db2.gz RRLCXHOVFQCBBO-ZSEKCTLFSA-N 1 0 400.479 1.756 20 0 HDADRO NC(=O)[C@@H]1CC(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)=NN1c1ccc(F)cc1 ZINC000727734602 1076213935 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ONKOSZPURWNFIJ-SJORKVTESA-N 1 0 411.510 1.714 20 0 HDADRO C[NH+](C)CC1CCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 ZINC000733882216 1076238434 /nfs/dbraw/zinc/23/84/34/1076238434.db2.gz FTMHGZVFCFFUEV-UHFFFAOYSA-N 1 0 410.359 1.572 20 0 HDADRO CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001299316467 1076246188 /nfs/dbraw/zinc/24/61/88/1076246188.db2.gz CWHKWACFHGKFLT-UHFFFAOYSA-N 1 0 424.615 1.625 20 0 HDADRO CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000534183908 1076246846 /nfs/dbraw/zinc/24/68/46/1076246846.db2.gz OBGPMCJEAGBWSR-NHCUHLMSSA-N 1 0 416.543 1.844 20 0 HDADRO CN1Cc2ccccc2[C@H](NC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)C1 ZINC000534530671 1076247443 /nfs/dbraw/zinc/24/74/43/1076247443.db2.gz GVBBWCGFTSYCCI-HXUWFJFHSA-N 1 0 422.533 1.769 20 0 HDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000536532028 1076256592 /nfs/dbraw/zinc/25/65/92/1076256592.db2.gz NAQFTIALLFFVMQ-GDBMZVCRSA-N 1 0 422.455 1.844 20 0 HDADRO 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ZINC000731256236 1076771562 /nfs/dbraw/zinc/77/15/62/1076771562.db2.gz KZVTZEQPQKZNIR-MRXNPFEDSA-N 1 0 415.490 1.694 20 0 HDADRO CCCCn1c2nc(C[NH2+]C3(CO)Cc4ccccc4C3)n(CC)c2c(=O)[nH]c1=O ZINC000512307815 1126095513 /nfs/dbraw/zinc/09/55/13/1126095513.db2.gz GLJYZVNSJRQFCH-UHFFFAOYSA-N 1 0 411.506 1.738 20 0 HDADRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2c(C)nn(CCS(C)(=O)=O)c2C)cc1 ZINC001198218859 1126154798 /nfs/dbraw/zinc/15/47/98/1126154798.db2.gz KWJIJFUZKNKERG-FQEVSTJZSA-N 1 0 409.552 1.636 20 0 HDADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164401781 718838308 /nfs/dbraw/zinc/83/83/08/718838308.db2.gz AOSLESQMIGEJRY-LIRRHRJNSA-N 1 0 423.924 1.086 20 0 HDADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1C[C@@H]2C[NH2+]C[C@]2(CO)C1 ZINC001164401721 718852859 /nfs/dbraw/zinc/85/28/59/718852859.db2.gz CUXYCGDNTRGARH-RQUSPXKASA-N 1 0 424.908 1.011 20 0 HDADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416026 718885156 /nfs/dbraw/zinc/88/51/56/718885156.db2.gz QQKUZCOKQZBKOB-UHFFFAOYSA-N 1 0 412.828 1.757 20 0 HDADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CCC[C@H]3[NH2+]C[C@@H]32)C1=O ZINC001164449446 718999331 /nfs/dbraw/zinc/99/93/31/718999331.db2.gz NZDLMDKMAMKOBI-BIENJYKASA-N 1 0 408.909 1.957 20 0 HDADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1[C@H]2C[NH2+]C[C@H]2C[C@H]1C(=O)OCC ZINC001164618740 719012259 /nfs/dbraw/zinc/01/22/59/719012259.db2.gz SSLFJHBUGPXPRA-USWWRNFRSA-N 1 0 418.828 1.581 20 0 HDADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4c(n3)N(C)[C@H](C)C(=O)N4)CC2)CC1 ZINC001164617960 719027296 /nfs/dbraw/zinc/02/72/96/719027296.db2.gz SJKWULHZXWMNBQ-CQSZACIVSA-N 1 0 416.526 1.497 20 0 HDADRO C[NH+]1CCN(c2cccc(N3CCCn4nnc(COc5cccnc5)c4C3)n2)CC1 ZINC001164652695 719327823 /nfs/dbraw/zinc/32/78/23/719327823.db2.gz DPHUYDHTNPGARJ-UHFFFAOYSA-N 1 0 420.521 1.809 20 0 HDADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC001164668935 719375045 /nfs/dbraw/zinc/37/50/45/719375045.db2.gz OWBFOXIBDGFGLF-ROUUACIJSA-N 1 0 413.503 1.496 20 0 HDADRO CC(C)N(C)Cc1nn(-c2ncccc2S(=O)(=O)N2CCCC2)c2c1CC[NH2+]C2 ZINC001164681207 719632329 /nfs/dbraw/zinc/63/23/29/719632329.db2.gz DBCMZIXPWJJEDN-UHFFFAOYSA-N 1 0 418.567 1.538 20 0 HDADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncccc1C[NH+]1CCCC1 ZINC001164701325 719878278 /nfs/dbraw/zinc/87/82/78/719878278.db2.gz NCMSERXVBPUOER-UGKGYDQZSA-N 1 0 402.539 1.910 20 0 HDADRO C[NH+]1CCN(c2cccc(N3CCOC[C@]4(CC[C@@H](Cn5cccn5)O4)C3)n2)CC1 ZINC001164803252 720049648 /nfs/dbraw/zinc/04/96/48/720049648.db2.gz JRDSBGDKTFLPLW-UGKGYDQZSA-N 1 0 412.538 1.485 20 0 HDADRO O=C(N[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC001164716828 720055201 /nfs/dbraw/zinc/05/52/01/720055201.db2.gz XLUSRWYASIOPGQ-DWLFOUALSA-N 1 0 422.533 1.881 20 0 HDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(n1)N(C)[C@@H](C)C(=O)N3)C2 ZINC001164808572 720120663 /nfs/dbraw/zinc/12/06/63/720120663.db2.gz FOFAWUBTMJDPQI-WDUKFBBWSA-N 1 0 400.527 1.438 20 0 HDADRO Cn1nnc2c1CCN(c1nccc(N3CCCC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716486 720163113 /nfs/dbraw/zinc/16/31/13/720163113.db2.gz ZSZSDAKMPLTFLG-GOSISDBHSA-N 1 0 412.542 1.422 20 0 HDADRO COc1nc(Cl)cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164712365 720167760 /nfs/dbraw/zinc/16/77/60/720167760.db2.gz FXVKTHADLMPULO-CQSZACIVSA-N 1 0 407.906 1.483 20 0 HDADRO COC(=O)c1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(C)c1 ZINC001164719874 720175059 /nfs/dbraw/zinc/17/50/59/720175059.db2.gz XZBDACMTOXJVOH-GOSISDBHSA-N 1 0 414.510 1.521 20 0 HDADRO COc1ccc2cnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc2c1 ZINC001164718372 720175544 /nfs/dbraw/zinc/17/55/44/720175544.db2.gz PHQCZWNXBHVKKE-HXUWFJFHSA-N 1 0 423.521 1.983 20 0 HDADRO CSc1cc(C)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164715952 720182100 /nfs/dbraw/zinc/18/21/00/720182100.db2.gz FNEJHJQKOHKZEE-INIZCTEOSA-N 1 0 403.556 1.852 20 0 HDADRO Cc1[nH]c2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1C ZINC001164718769 720184123 /nfs/dbraw/zinc/18/41/23/720184123.db2.gz QVAGFKDTWOWPOC-QGZVFWFLSA-N 1 0 410.526 1.919 20 0 HDADRO COc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc2ccccc21 ZINC001164717087 720186997 /nfs/dbraw/zinc/18/69/97/720186997.db2.gz KMTOYFRXSBENJH-IBGZPJMESA-N 1 0 423.521 1.983 20 0 HDADRO Cc1noc(-c2cccnc2N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164717657 720198239 /nfs/dbraw/zinc/19/82/39/720198239.db2.gz VULRHYXWLQCPMA-GOSISDBHSA-N 1 0 424.509 1.785 20 0 HDADRO Cc1noc(-c2ccnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2)n1 ZINC001164717655 720198900 /nfs/dbraw/zinc/19/89/00/720198900.db2.gz VSWDMQZFYBYNIV-GOSISDBHSA-N 1 0 424.509 1.785 20 0 HDADRO Cn1nnc2c1CCN(c1ccc(NC(N)=S)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713357 720201317 /nfs/dbraw/zinc/20/13/17/720201317.db2.gz BKFJMZZGIOQRAO-MRXNPFEDSA-N 1 0 416.555 1.082 20 0 HDADRO CC(C)Oc1nccnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716662 720201737 /nfs/dbraw/zinc/20/17/37/720201737.db2.gz RBPIZAHSEHJETI-KRWDZBQOSA-N 1 0 401.515 1.609 20 0 HDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cnc1C(N)=O)CCC2 ZINC001164814921 720218969 /nfs/dbraw/zinc/21/89/69/720218969.db2.gz ZZEIKTBWHADVLI-UHFFFAOYSA-N 1 0 405.890 1.036 20 0 HDADRO CCOC(=O)c1cnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1C ZINC001164813497 720221017 /nfs/dbraw/zinc/22/10/17/720221017.db2.gz MZLUHKUYGNROIL-UHFFFAOYSA-N 1 0 414.510 1.769 20 0 HDADRO CCOC(=O)c1nccnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813510 720221536 /nfs/dbraw/zinc/22/15/36/720221536.db2.gz NJGUJOGDAYMKKT-UHFFFAOYSA-N 1 0 400.483 1.461 20 0 HDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1NC(=O)CS3)CCC2 ZINC001164817037 720245011 /nfs/dbraw/zinc/24/50/11/720245011.db2.gz OCGXUOZUBGKYDP-UHFFFAOYSA-N 1 0 415.523 1.328 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3nc[nH]c32)CC1 ZINC001164818882 720290659 /nfs/dbraw/zinc/29/06/59/720290659.db2.gz BHGYNFFUZYBPHW-UONOGXRCSA-N 1 0 403.918 1.918 20 0 HDADRO CNC(=O)CN1CCOC[C@]2(CCCN(c3ncccc3C[NH+]3CCCC3)C2)C1 ZINC001164723384 720306423 /nfs/dbraw/zinc/30/64/23/720306423.db2.gz OKOPQXLFHRCCKI-JOCHJYFZSA-N 1 0 401.555 1.342 20 0 HDADRO CCOC(=O)c1ncnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C ZINC001164833450 720322988 /nfs/dbraw/zinc/32/29/88/720322988.db2.gz XGKVZACLELZWQN-ZWKOTPCHSA-N 1 0 415.538 1.873 20 0 HDADRO CCOC(=O)Cc1cnc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164823340 720323172 /nfs/dbraw/zinc/32/31/72/720323172.db2.gz AQXFUULLGJRKSE-RTBURBONSA-N 1 0 415.538 1.494 20 0 HDADRO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2c2ccc(C[N@H+](C)C3CC3)cn2)O1 ZINC001164723073 720323638 /nfs/dbraw/zinc/32/36/38/720323638.db2.gz GWKOYFPXKYGLJS-XUVXKRRUSA-N 1 0 402.539 1.907 20 0 HDADRO COCCOc1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164823532 720341691 /nfs/dbraw/zinc/34/16/91/720341691.db2.gz GTCLBUVPZMNRIL-ROUUACIJSA-N 1 0 403.527 1.413 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C(=O)NC3CC3)nn2)CC1 ZINC001164822416 720345622 /nfs/dbraw/zinc/34/56/22/720345622.db2.gz DPAIHPLIQPORTE-RTBURBONSA-N 1 0 412.538 1.280 20 0 HDADRO COC(=O)c1ncnc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1OC ZINC001164829984 720355045 /nfs/dbraw/zinc/35/50/45/720355045.db2.gz URVBEHXOPWKYMU-CVEARBPZSA-N 1 0 417.510 1.183 20 0 HDADRO CCS(=O)(=O)c1ccnc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164829939 720355804 /nfs/dbraw/zinc/35/58/04/720355804.db2.gz UNIRYOIIQZVZGA-OALUTQOASA-N 1 0 420.579 1.787 20 0 HDADRO CCS(=O)(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164829941 720356298 /nfs/dbraw/zinc/35/62/98/720356298.db2.gz UNIRYOIIQZVZGA-RBUKOAKNSA-N 1 0 420.579 1.787 20 0 HDADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3ccsc3c(N3CCOCC3)n2)C1 ZINC001164732754 720508710 /nfs/dbraw/zinc/50/87/10/720508710.db2.gz WRUNVZAKPAWRDL-OAHLLOKOSA-N 1 0 413.551 1.922 20 0 HDADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3S(N)(=O)=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834939 720514688 /nfs/dbraw/zinc/51/46/88/720514688.db2.gz INLFEXSBGPMMPB-YESZJQIVSA-N 1 0 404.540 1.303 20 0 HDADRO CCC(CC)NS(=O)(=O)c1ccc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc1 ZINC001164734847 720526011 /nfs/dbraw/zinc/52/60/11/720526011.db2.gz RZVYCNACYUYIOS-INIZCTEOSA-N 1 0 420.583 1.943 20 0 HDADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)cnc3C(N)=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842449 720529038 /nfs/dbraw/zinc/52/90/38/720529038.db2.gz XKXPXNNJTUKBIW-QLFBSQMISA-N 1 0 403.918 1.803 20 0 HDADRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4nc[nH]c4c(N(C)C)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835447 720561317 /nfs/dbraw/zinc/56/13/17/720561317.db2.gz HJMRCEBCMMVVQP-IXDOHACOSA-N 1 0 409.542 1.993 20 0 HDADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(S(N)(=O)=O)ccn3)CC[C@@H]21 ZINC001164841585 720625268 /nfs/dbraw/zinc/62/52/68/720625268.db2.gz TXGVQGQCTBNBJR-BQFCYCMXSA-N 1 0 404.540 1.303 20 0 HDADRO COC(=O)c1ccc2cnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164744975 720635527 /nfs/dbraw/zinc/63/55/27/720635527.db2.gz SUKWNPRGQMBZFZ-DLBZAZTESA-N 1 0 406.446 1.548 20 0 HDADRO CCOC(=O)c1ccc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164736661 720697933 /nfs/dbraw/zinc/69/79/33/720697933.db2.gz AHNHTPDVGVVWDA-DLBZAZTESA-N 1 0 420.473 1.938 20 0 HDADRO Clc1ncc(N2CCOCC2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741992 720701083 /nfs/dbraw/zinc/70/10/83/720701083.db2.gz VDHHAMCECQPCCK-HUUCEWRRSA-N 1 0 417.901 1.099 20 0 HDADRO CON(C)C(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737601 720706118 /nfs/dbraw/zinc/70/61/18/720706118.db2.gz GNDVMCGPMIGJMX-LSDHHAIUSA-N 1 0 418.885 1.500 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@@H]43)nn2)CC1 ZINC001164848442 720769944 /nfs/dbraw/zinc/76/99/44/720769944.db2.gz PTHRIDNVDVUCOW-HKBOAZHASA-N 1 0 424.549 1.967 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4O[C@@H](COCc5ccccn5)CC[C@H]43)nn2)CC1 ZINC001164848443 720770209 /nfs/dbraw/zinc/77/02/09/720770209.db2.gz PTHRIDNVDVUCOW-NJYVYQBISA-N 1 0 424.549 1.967 20 0 HDADRO FC(F)(COc1cncc(Cl)n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738994 720771663 /nfs/dbraw/zinc/77/16/63/720771663.db2.gz HIBNSKJMADSHGN-QWHCGFSZSA-N 1 0 412.828 1.729 20 0 HDADRO O=C(NC1CCCC1)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164737446 720782380 /nfs/dbraw/zinc/78/23/80/720782380.db2.gz BKCVMYRBNJFAGR-DLBZAZTESA-N 1 0 409.494 1.281 20 0 HDADRO NC(=O)c1cc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164744156 720814365 /nfs/dbraw/zinc/81/43/65/720814365.db2.gz HLUZGXPSOPLWJE-UWWQBHOKSA-N 1 0 415.929 1.805 20 0 HDADRO O=C1COc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2N1 ZINC001164737718 720830347 /nfs/dbraw/zinc/83/03/47/720830347.db2.gz CGTJOVAJENAXNO-BRWVUGGUSA-N 1 0 409.494 1.383 20 0 HDADRO NC(=O)c1c(Cl)ncnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743058 720835025 /nfs/dbraw/zinc/83/50/25/720835025.db2.gz IJIXMWDKWHQEBH-SOUVJXGZSA-N 1 0 416.917 1.200 20 0 HDADRO 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COCC[N@@H+]1CCO[C@@H]2CN(c3nc4cnccc4cc3C(=O)OC)CC[C@H]2C1 ZINC001164859543 720859632 /nfs/dbraw/zinc/85/96/32/720859632.db2.gz UHCSHYDZKVWXGK-QFBILLFUSA-N 1 0 400.479 1.590 20 0 HDADRO CCOC(=O)c1cc2ccc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)[nH]c-2n1 ZINC001164853596 720866494 /nfs/dbraw/zinc/86/64/94/720866494.db2.gz HVACNGXTFIMSSI-AEFFLSMTSA-N 1 0 402.495 1.913 20 0 HDADRO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)n1 ZINC001164853017 720869815 /nfs/dbraw/zinc/86/98/15/720869815.db2.gz GAZXNACVPOBKPT-WBVHZDCISA-N 1 0 417.510 1.319 20 0 HDADRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c(Cl)ncnc43)CC[C@@H]2C1 ZINC001164855291 720884925 /nfs/dbraw/zinc/88/49/25/720884925.db2.gz GPIJUTCDVIXENH-NEPJUHHUSA-N 1 0 413.309 1.900 20 0 HDADRO CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C3)cc2C1 ZINC001164858565 720891629 /nfs/dbraw/zinc/89/16/29/720891629.db2.gz LDQCIKSNLKMZJE-FUHIMQAGSA-N 1 0 418.538 1.318 20 0 HDADRO COc1cc2c(cc1F)ncnc2N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 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HALPKYGAFXQTBN-WBVHZDCISA-N 1 0 409.494 1.447 20 0 HDADRO CNC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867830 721188728 /nfs/dbraw/zinc/18/87/28/721188728.db2.gz IIXLULNQAFGNMF-LSDHHAIUSA-N 1 0 402.886 1.364 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)nc4[nH]cc(F)c43)CC2)C1 ZINC001164878913 721261140 /nfs/dbraw/zinc/26/11/40/721261140.db2.gz WASJWMQXBGDEPN-UHFFFAOYSA-N 1 0 424.908 1.757 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)ncc3Cl)CC2)C1 ZINC001164878338 721261809 /nfs/dbraw/zinc/26/18/09/721261809.db2.gz UMXPMPMWGBKDDS-UHFFFAOYSA-N 1 0 402.326 1.790 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)nc4cccnc43)CC2)C1 ZINC001164870409 721266409 /nfs/dbraw/zinc/26/64/09/721266409.db2.gz XXGRUTZPUYXOOJ-UHFFFAOYSA-N 1 0 418.929 1.685 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3cncc(Cl)n3)CC2)C1 ZINC001164872894 721280267 /nfs/dbraw/zinc/28/02/67/721280267.db2.gz HODWYUDXHCKBCZ-UHFFFAOYSA-N 1 0 417.888 1.682 20 0 HDADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164774053 721291431 /nfs/dbraw/zinc/29/14/31/721291431.db2.gz WCKHJTBNLOGGOI-UHFFFAOYSA-N 1 0 404.902 1.965 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@H]43)nn2)CC1 ZINC001164878986 721310991 /nfs/dbraw/zinc/31/09/91/721310991.db2.gz MFILRSBIGWQDNP-IPMKNSEASA-N 1 0 410.522 1.686 20 0 HDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(C(=O)c5ccccc5)CCO[C@H]4C3)n2)CC1 ZINC001164882734 721350590 /nfs/dbraw/zinc/35/05/90/721350590.db2.gz HNWLDJXHXFMXDD-SFTDATJTSA-N 1 0 421.545 1.811 20 0 HDADRO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(C4C[NH2+]C4)ncn3)C2)C1 ZINC001164785337 721376736 /nfs/dbraw/zinc/37/67/36/721376736.db2.gz RDQPGVLTKNGKFE-JOCHJYFZSA-N 1 0 412.538 1.887 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164886765 721382387 /nfs/dbraw/zinc/38/23/87/721382387.db2.gz GDXNILMHEHFHIL-AUUYWEPGSA-N 1 0 405.934 1.772 20 0 HDADRO COC(=O)c1cnc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894084 721383815 /nfs/dbraw/zinc/38/38/15/721383815.db2.gz XMAAWVFSDJIBOX-QRWLVFNGSA-N 1 0 423.945 1.682 20 0 HDADRO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncccc4S(C)(=O)=O)C3)O2)CC1 ZINC001164884981 721399011 /nfs/dbraw/zinc/39/90/11/721399011.db2.gz BKKHUKAJTRDIKS-XLIONFOSSA-N 1 0 408.568 1.251 20 0 HDADRO COC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1N ZINC001164889840 721399712 /nfs/dbraw/zinc/39/97/12/721399712.db2.gz MPDBRSRTZMGERB-HRAATJIYSA-N 1 0 403.527 1.216 20 0 HDADRO Cn1cnc2c1nc(Cl)nc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892007 721402196 /nfs/dbraw/zinc/40/21/96/721402196.db2.gz XWQMVMXIRSMKTP-YWZLYKJASA-N 1 0 419.961 1.782 20 0 HDADRO COC(=O)Cc1cccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886502 721407237 /nfs/dbraw/zinc/40/72/37/721407237.db2.gz JFCKKXDYSCHOSG-UGKGYDQZSA-N 1 0 402.539 1.563 20 0 HDADRO CCOC(=O)Cc1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164890626 721412544 /nfs/dbraw/zinc/41/25/44/721412544.db2.gz UESUXOJRGBNNGK-OFNKIYASSA-N 1 0 416.566 1.953 20 0 HDADRO CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164890622 721412594 /nfs/dbraw/zinc/41/25/94/721412594.db2.gz UESUXOJRGBNNGK-NZQKXSOJSA-N 1 0 416.566 1.953 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc5ccc(=O)n(C)c5n4)C3)O2)CC1 ZINC001164889502 721413689 /nfs/dbraw/zinc/41/36/89/721413689.db2.gz RFELGAUCYPNDJT-AUSIDOKSSA-N 1 0 411.550 1.699 20 0 HDADRO CN(C)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884625 721415513 /nfs/dbraw/zinc/41/55/13/721415513.db2.gz FGQWICROAZQFJP-JXFKEZNVSA-N 1 0 408.978 1.961 20 0 HDADRO COC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1C ZINC001164884464 721419603 /nfs/dbraw/zinc/41/96/03/721419603.db2.gz DHINTFDDAYVTJO-PGRDOPGGSA-N 1 0 402.539 1.942 20 0 HDADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4NC(=O)CS5)C3)O2)CC1 ZINC001164892027 721450834 /nfs/dbraw/zinc/45/08/34/721450834.db2.gz VUFWCIVKGIWBSQ-MGPUTAFESA-N 1 0 418.567 1.286 20 0 HDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(N)=O)cn1)CC2 ZINC001164785926 721455348 /nfs/dbraw/zinc/45/53/48/721455348.db2.gz IQDVFXJYAGUMBY-LJQANCHMSA-N 1 0 402.539 1.914 20 0 HDADRO C[NH+]1CCN(c2cccc(N3CCC4(C[C@H](C(=O)NC5CCC5)CO4)CC3)n2)CC1 ZINC001164899019 721489983 /nfs/dbraw/zinc/48/99/83/721489983.db2.gz IZLAFPKQLUHYFL-SFHVURJKSA-N 1 0 413.566 1.878 20 0 HDADRO C[NH+]1CCN(c2cccc(N3CCC4(C[C@@H](C(=O)NC5CCC5)CO4)CC3)n2)CC1 ZINC001164899018 721490180 /nfs/dbraw/zinc/49/01/80/721490180.db2.gz IZLAFPKQLUHYFL-GOSISDBHSA-N 1 0 413.566 1.878 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CCC4(C[C@@H](c5ccncc5)C(=O)N4)CC3)nn2)CC1 ZINC001164899294 721503013 /nfs/dbraw/zinc/50/30/13/721503013.db2.gz YDOJTAIBOLLQMT-SFHVURJKSA-N 1 0 407.522 1.266 20 0 HDADRO C[NH+]1CCN(c2cccc(N3CCO[C@@]4(CCCN(c5cnccn5)C4)C3)n2)CC1 ZINC001164902843 721580159 /nfs/dbraw/zinc/58/01/59/721580159.db2.gz JJEVPZOTJJCCNY-JOCHJYFZSA-N 1 0 409.538 1.499 20 0 HDADRO O=C([C@@H]1C[C@@H]2[C@H](CCN2c2cccc(OCC[NH+]3CCCC3)n2)O1)N1CCOCC1 ZINC001164796433 721596026 /nfs/dbraw/zinc/59/60/26/721596026.db2.gz BYKFPTDFGFXBMV-QYZOEREBSA-N 1 0 416.522 1.151 20 0 HDADRO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ccc(N3CC[NH+](C)CC3)nn2)C1 ZINC001164804212 721605967 /nfs/dbraw/zinc/60/59/67/721605967.db2.gz XVYVKYSXJVORGO-QFIPXVFZSA-N 1 0 424.553 1.071 20 0 HDADRO CCOC(=O)c1nnc(Cl)cc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010683 721735607 /nfs/dbraw/zinc/73/56/07/721735607.db2.gz KLVPQTBSJXRWCJ-UHFFFAOYSA-N 1 0 409.918 1.830 20 0 HDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(CN3C(=O)CCC3=O)cn2)CC1 ZINC001165010942 721741041 /nfs/dbraw/zinc/74/10/41/721741041.db2.gz QYZCVRMVRONWEP-UHFFFAOYSA-N 1 0 413.522 1.254 20 0 HDADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)cn3)C[C@H]21 ZINC001165028877 721809289 /nfs/dbraw/zinc/80/92/89/721809289.db2.gz XXFFKNIRRKXXJQ-ATZDWAIDSA-N 1 0 401.536 1.861 20 0 HDADRO CN1CC(=O)Nc2cnc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nc21 ZINC001165020816 721816228 /nfs/dbraw/zinc/81/62/28/721816228.db2.gz DIZUJCDTCAEFQP-VDZJLULYSA-N 1 0 407.522 1.997 20 0 HDADRO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164922210 721834860 /nfs/dbraw/zinc/83/48/60/721834860.db2.gz GDFVQFUIINREHQ-XMSQKQJNSA-N 1 0 424.553 1.283 20 0 HDADRO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164921223 721836310 /nfs/dbraw/zinc/83/63/10/721836310.db2.gz CNHDFOYONLZCNV-WMZHIEFXSA-N 1 0 423.565 1.888 20 0 HDADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc2ccsc2c(N2CCOCC2)n1 ZINC001164925762 721852834 /nfs/dbraw/zinc/85/28/34/721852834.db2.gz FYUXFCJCURCQLU-DLBZAZTESA-N 1 0 402.568 1.743 20 0 HDADRO COC(=O)C1CCN(c2ccc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)nn2)CC1 ZINC001164922701 721870208 /nfs/dbraw/zinc/87/02/08/721870208.db2.gz HSZLBBJQXMMAOV-ROUUACIJSA-N 1 0 402.543 1.081 20 0 HDADRO COC(=O)C1CCN(c2ccc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)nn2)CC1 ZINC001164922703 721870551 /nfs/dbraw/zinc/87/05/51/721870551.db2.gz HSZLBBJQXMMAOV-ZWKOTPCHSA-N 1 0 402.543 1.081 20 0 HDADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC001164933278 721877576 /nfs/dbraw/zinc/87/75/76/721877576.db2.gz LJRULBRWNUTBAY-MSOLQXFVSA-N 1 0 400.575 1.287 20 0 HDADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc(C(=O)N2CCOCC2)cc1Cl ZINC001164932995 721881390 /nfs/dbraw/zinc/88/13/90/721881390.db2.gz KNIRZYXYYJLMCR-QZTJIDSGSA-N 1 0 407.946 1.422 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)NC4CCC4)C3)nn2)CC1 ZINC001164929745 721895126 /nfs/dbraw/zinc/89/51/26/721895126.db2.gz AGNNMPJPLOQAFT-QRQLOZEOSA-N 1 0 414.554 1.129 20 0 HDADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nn2)C1 ZINC001165038266 721919048 /nfs/dbraw/zinc/91/90/48/721919048.db2.gz MPMVQYGGBCWDOD-MSOLQXFVSA-N 1 0 403.527 1.557 20 0 HDADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1C[C@H]2OCC[N@H+](Cc3c(C)noc3C)[C@@H]2C1 ZINC001164944002 721938161 /nfs/dbraw/zinc/93/81/61/721938161.db2.gz QSHLKWBSUNLMLB-IAGOWNOFSA-N 1 0 412.450 1.391 20 0 HDADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1nccc(C3CC[NH2+]CC3)n1)CC2 ZINC001164947692 721976882 /nfs/dbraw/zinc/97/68/82/721976882.db2.gz QOWAYIAAUMJKSL-UHFFFAOYSA-N 1 0 420.561 1.915 20 0 HDADRO C[NH+]1CCN(c2cccc(N3CC[C@@]4(C[C@H]4C(=O)NCc4cccnc4)C3)n2)CC1 ZINC001164956261 722033990 /nfs/dbraw/zinc/03/39/90/722033990.db2.gz CYLDXTAHBXBBKW-WMZHIEFXSA-N 1 0 406.534 1.761 20 0 HDADRO C[NH+]1CCN(c2cccc(N3CC[C@@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)n2)CC1 ZINC001164956259 722033996 /nfs/dbraw/zinc/03/39/96/722033996.db2.gz CYLDXTAHBXBBKW-AUSIDOKSSA-N 1 0 406.534 1.761 20 0 HDADRO CN1CCN(c2nccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)n2)CC1 ZINC001164958166 722051125 /nfs/dbraw/zinc/05/11/25/722051125.db2.gz DFSSBQAKHNYDMI-UEXGIBASSA-N 1 0 409.538 1.529 20 0 HDADRO NC(=O)c1nc(Cl)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164964970 722057236 /nfs/dbraw/zinc/05/72/36/722057236.db2.gz ZNKOROAOLYCPHR-UHFFFAOYSA-N 1 0 416.913 1.743 20 0 HDADRO NS(=O)(=O)c1cccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164965248 722062497 /nfs/dbraw/zinc/06/24/97/722062497.db2.gz JUXUAYUMFMGXFO-UHFFFAOYSA-N 1 0 417.535 1.243 20 0 HDADRO CC(=O)N1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164972028 722080622 /nfs/dbraw/zinc/08/06/22/722080622.db2.gz XSNGNWJKHLFFKM-PCCBWWKXSA-N 1 0 423.565 1.546 20 0 HDADRO NC(=O)c1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1Cl ZINC001164983414 722103065 /nfs/dbraw/zinc/10/30/65/722103065.db2.gz QAKOZIZJNWPUOO-CRAIPNDOSA-N 1 0 401.898 1.956 20 0 HDADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980116 722104331 /nfs/dbraw/zinc/10/43/31/722104331.db2.gz JPMYNCPRRXVBGR-QFBILLFUSA-N 1 0 422.489 1.818 20 0 HDADRO COC(=O)c1cc(OC)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978200 722108720 /nfs/dbraw/zinc/10/87/20/722108720.db2.gz NUNHYSQRMVVIOL-PXNSSMCTSA-N 1 0 412.490 1.999 20 0 HDADRO CON(C)C(=O)c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982038 722133392 /nfs/dbraw/zinc/13/33/92/722133392.db2.gz QUQLBFWLPGSIGC-ICSRJNTNSA-N 1 0 411.506 1.837 20 0 HDADRO Cc1cc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)C(=O)NC2=O ZINC001164984639 722138290 /nfs/dbraw/zinc/13/82/90/722138290.db2.gz YDCBNYHKGJYLMU-AEFFLSMTSA-N 1 0 407.474 1.396 20 0 HDADRO CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164993370 722187441 /nfs/dbraw/zinc/18/74/41/722187441.db2.gz ZBKXAALFPKNYCY-GOSISDBHSA-N 1 0 416.570 1.330 20 0 HDADRO CCOC(=O)c1cnc(OC)nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165000550 722252933 /nfs/dbraw/zinc/25/29/33/722252933.db2.gz RLUJVERQJMWPRE-UHFFFAOYSA-N 1 0 418.498 1.347 20 0 HDADRO CCOC(=O)c1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(OC)c1 ZINC001165002877 722254745 /nfs/dbraw/zinc/25/47/45/722254745.db2.gz VTBUMDADLNAWDX-UHFFFAOYSA-N 1 0 417.510 1.952 20 0 HDADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCSCC3)ncn1)CCC2 ZINC001165003825 722257320 /nfs/dbraw/zinc/25/73/20/722257320.db2.gz IQMHQJMFJSCUFE-UHFFFAOYSA-N 1 0 417.583 1.715 20 0 HDADRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1 ZINC001299281565 1073492593 /nfs/dbraw/zinc/49/25/93/1073492593.db2.gz OUXLLICOFQLVEB-SJORKVTESA-N 1 0 410.559 1.691 20 0 HDADRO CC(=O)N[C@@](C)(C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001299281579 1073493144 /nfs/dbraw/zinc/49/31/44/1073493144.db2.gz PJVTWBBNWDVTLK-FXAWDEMLSA-N 1 0 409.552 1.383 20 0 HDADRO COC(=O)Cn1cc(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000429072808 1073516095 /nfs/dbraw/zinc/51/60/95/1073516095.db2.gz HNRWDOAAZRJNPP-UHFFFAOYSA-N 1 0 400.483 1.163 20 0 HDADRO C[C@H](CNC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C[NH+]1CCN(C)CC1 ZINC000509097348 1073521591 /nfs/dbraw/zinc/52/15/91/1073521591.db2.gz JMKBSUTXVRQGFJ-BPAFIMBUSA-N 1 0 421.973 1.795 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCCOc2ncccc2F)c1 ZINC000429082815 1073528106 /nfs/dbraw/zinc/52/81/06/1073528106.db2.gz WXEMRGSRNPNISJ-UHFFFAOYSA-N 1 0 403.458 1.390 20 0 HDADRO O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000625189524 1073556830 /nfs/dbraw/zinc/55/68/30/1073556830.db2.gz MMYZGLGGKMWIBH-INIZCTEOSA-N 1 0 413.478 1.159 20 0 HDADRO CCOc1ccc(C2(CNC(=O)C(=O)N(C)CCC[NH+](C)C)CCOCC2)cc1 ZINC000671415692 1073575287 /nfs/dbraw/zinc/57/52/87/1073575287.db2.gz NUOQEBRQHIGPII-UHFFFAOYSA-N 1 0 405.539 1.660 20 0 HDADRO CCOC(=O)C1CCN(S(=O)(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000028059701 1073591971 /nfs/dbraw/zinc/59/19/71/1073591971.db2.gz RIKZHLRXGBXITK-UHFFFAOYSA-N 1 0 423.579 1.933 20 0 HDADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2Cc2ccccn2)cc1 ZINC000673661527 1073615428 /nfs/dbraw/zinc/61/54/28/1073615428.db2.gz HBMWPAABYWFHAA-NRFANRHFSA-N 1 0 409.534 1.654 20 0 HDADRO CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000673665112 1073618851 /nfs/dbraw/zinc/61/88/51/1073618851.db2.gz CFGXUMRYBMBPTG-PMACEKPBSA-N 1 0 406.571 1.426 20 0 HDADRO COC1CC[NH+](C2(CNC(=O)c3ccc(C)c(S(N)(=O)=O)c3)CCCC2)CC1 ZINC000673664717 1073618955 /nfs/dbraw/zinc/61/89/55/1073618955.db2.gz KIGBWNGARVALLM-UHFFFAOYSA-N 1 0 409.552 1.796 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000673715446 1073654302 /nfs/dbraw/zinc/65/43/02/1073654302.db2.gz VVXAIADLRKKQNQ-FQEVSTJZSA-N 1 0 410.518 1.373 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000673729480 1073662057 /nfs/dbraw/zinc/66/20/57/1073662057.db2.gz LKUQQTVOCMYPPB-NVXWUHKLSA-N 1 0 400.516 1.947 20 0 HDADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000429113675 1073667862 /nfs/dbraw/zinc/66/78/62/1073667862.db2.gz KHQHNBRUIIWIRD-MRXNPFEDSA-N 1 0 404.511 1.973 20 0 HDADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@H](CCCO)c3ccccc3)CC2)CCO1 ZINC000509130698 1073671722 /nfs/dbraw/zinc/67/17/22/1073671722.db2.gz ZYZDIHADJLTYBQ-YLJYHZDGSA-N 1 0 403.523 1.328 20 0 HDADRO O=C(NCCC1CCS(=O)(=O)CC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000509139747 1073706313 /nfs/dbraw/zinc/70/63/13/1073706313.db2.gz QQEMQVWFLRLMKM-UHFFFAOYSA-N 1 0 401.573 1.488 20 0 HDADRO CN(C(=O)c1ccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000429129294 1073710868 /nfs/dbraw/zinc/71/08/68/1073710868.db2.gz DQRGMRKPFLELCF-FQEVSTJZSA-N 1 0 418.538 1.906 20 0 HDADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000429132407 1073716630 /nfs/dbraw/zinc/71/66/30/1073716630.db2.gz ZSEQTVGUDWKUDY-SGTLLEGYSA-N 1 0 409.533 1.935 20 0 HDADRO O=C(N[C@H](CCCO)c1ccccc1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000509144223 1073722642 /nfs/dbraw/zinc/72/26/42/1073722642.db2.gz NQSXSZFWTMGXIC-HXUWFJFHSA-N 1 0 403.523 1.187 20 0 HDADRO COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](CCCO)c3ccccc3)CC2)c1 ZINC000509145029 1073725534 /nfs/dbraw/zinc/72/55/34/1073725534.db2.gz XJMFXGCRTFWANB-LJQANCHMSA-N 1 0 412.490 1.369 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)C1 ZINC000673789984 1073736000 /nfs/dbraw/zinc/73/60/00/1073736000.db2.gz URLNCVWRSHZGOQ-INIZCTEOSA-N 1 0 400.483 1.165 20 0 HDADRO Cn1cc(N2CCN(C(=O)C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CC2)cn1 ZINC000673787530 1073740047 /nfs/dbraw/zinc/74/00/47/1073740047.db2.gz XENVTDXLHRYDHQ-UHFFFAOYSA-N 1 0 414.510 1.038 20 0 HDADRO C[C@H](CCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)[N@H+](C)Cc1ccccc1 ZINC000673789218 1073744243 /nfs/dbraw/zinc/74/42/43/1073744243.db2.gz QFDICPUXMCUCEA-OAHLLOKOSA-N 1 0 410.474 1.983 20 0 HDADRO CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000429137056 1073750772 /nfs/dbraw/zinc/75/07/72/1073750772.db2.gz AXPUVJHXHZFUGH-LPHOPBHVSA-N 1 0 408.568 1.620 20 0 HDADRO C[C@@H]1CN(C(=O)C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC000673802076 1073750954 /nfs/dbraw/zinc/75/09/54/1073750954.db2.gz ILRUHIJJLIXPCJ-RTBURBONSA-N 1 0 417.550 1.810 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000673810829 1073755747 /nfs/dbraw/zinc/75/57/47/1073755747.db2.gz SNTKBGNNFGLXNB-UHFFFAOYSA-N 1 0 413.478 1.866 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCN3c3ncccn3)cc2)C1 ZINC000673816391 1073760864 /nfs/dbraw/zinc/76/08/64/1073760864.db2.gz CYPVJBWJCRRFRY-PKOBYXMFSA-N 1 0 408.506 1.781 20 0 HDADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)o1 ZINC000673808688 1073761237 /nfs/dbraw/zinc/76/12/37/1073761237.db2.gz ZWUVXPQNXIJEFF-UHFFFAOYSA-N 1 0 415.556 1.634 20 0 HDADRO CC(C)c1nc(S(=O)(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c[nH]1 ZINC000673821966 1073767243 /nfs/dbraw/zinc/76/72/43/1073767243.db2.gz XXZAMUQGNGGSMC-KRWDZBQOSA-N 1 0 419.551 1.709 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000673824563 1073768195 /nfs/dbraw/zinc/76/81/95/1073768195.db2.gz NBSDSLUUCXTVRW-INIZCTEOSA-N 1 0 413.540 1.775 20 0 HDADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000509154486 1073774964 /nfs/dbraw/zinc/77/49/64/1073774964.db2.gz RKEUTCUEDAPBJM-OALUTQOASA-N 1 0 409.552 1.354 20 0 HDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000509157434 1073785034 /nfs/dbraw/zinc/78/50/34/1073785034.db2.gz VUFWJWMUWQMVCS-XLIONFOSSA-N 1 0 403.523 1.328 20 0 HDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H](CCCO)c1ccccc1 ZINC000509157435 1073785127 /nfs/dbraw/zinc/78/51/27/1073785127.db2.gz VUFWJWMUWQMVCS-YLJYHZDGSA-N 1 0 403.523 1.328 20 0 HDADRO C[C@H]1CN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000429151571 1073787933 /nfs/dbraw/zinc/78/79/33/1073787933.db2.gz SLUDMLVVAKUYOX-ZDUSSCGKSA-N 1 0 417.959 1.730 20 0 HDADRO O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001168743663 1073789596 /nfs/dbraw/zinc/78/95/96/1073789596.db2.gz PSCLPAPTKDKQFL-LJQANCHMSA-N 1 0 417.506 1.923 20 0 HDADRO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000057137503 1073793672 /nfs/dbraw/zinc/79/36/72/1073793672.db2.gz PLPFRDSFOYZVGA-FQEVSTJZSA-N 1 0 405.564 1.230 20 0 HDADRO COc1ccccc1C[C@@H]([NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)C ZINC000543490060 1073796898 /nfs/dbraw/zinc/79/68/98/1073796898.db2.gz AXFBUEQTLCKJOA-DZGCQCFKSA-N 1 0 402.495 1.103 20 0 HDADRO COc1ccccc1C[C@H]([NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)C ZINC000543490066 1073796969 /nfs/dbraw/zinc/79/69/69/1073796969.db2.gz AXFBUEQTLCKJOA-ZFWWWQNUSA-N 1 0 402.495 1.103 20 0 HDADRO NC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C1CCOCC1 ZINC000543489808 1073798000 /nfs/dbraw/zinc/79/80/00/1073798000.db2.gz HNAVSSKPHIVQOD-ZDUSSCGKSA-N 1 0 413.400 1.780 20 0 HDADRO NC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C1CCOCC1 ZINC000543489797 1073798047 /nfs/dbraw/zinc/79/80/47/1073798047.db2.gz HNAVSSKPHIVQOD-CYBMUJFWSA-N 1 0 413.400 1.780 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)c2cccnc2)CC1 ZINC000670423359 1073820436 /nfs/dbraw/zinc/82/04/36/1073820436.db2.gz HVVKBXDLILNIOV-QGZVFWFLSA-N 1 0 417.554 1.346 20 0 HDADRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000543492397 1073821609 /nfs/dbraw/zinc/82/16/09/1073821609.db2.gz IVCXHBJNZAEAOV-CJNGLKHVSA-N 1 0 418.494 1.908 20 0 HDADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](CC(N)=O)C1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000543492392 1073821879 /nfs/dbraw/zinc/82/18/79/1073821879.db2.gz IVDAKMXAEDGBAR-JKIFEVAISA-N 1 0 405.495 1.284 20 0 HDADRO NC(=O)C[C@@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CCOCC1 ZINC000543494419 1073824705 /nfs/dbraw/zinc/82/47/05/1073824705.db2.gz GZEBWXQMBBNCLP-HZPDHXFCSA-N 1 0 415.412 1.951 20 0 HDADRO O=C(CN1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1)NCc1ccccc1 ZINC000673861233 1073829576 /nfs/dbraw/zinc/82/95/76/1073829576.db2.gz PYYYZUOSAHFUJQ-UHFFFAOYSA-N 1 0 419.489 1.733 20 0 HDADRO O=C(NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861003 1073829716 /nfs/dbraw/zinc/82/97/16/1073829716.db2.gz LOWXFKVRENQQPE-QGZVFWFLSA-N 1 0 422.445 1.713 20 0 HDADRO C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000670424002 1073830417 /nfs/dbraw/zinc/83/04/17/1073830417.db2.gz FGWRTLNCFZMYJF-HXUWFJFHSA-N 1 0 423.561 1.973 20 0 HDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)Cc1ccc(Br)s1 ZINC000466544385 1073834285 /nfs/dbraw/zinc/83/42/85/1073834285.db2.gz WXNKDCUPYYGTAB-UHFFFAOYSA-N 1 0 418.357 1.302 20 0 HDADRO CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673878008 1073850472 /nfs/dbraw/zinc/85/04/72/1073850472.db2.gz CTRNOSRZFPXLSX-INIZCTEOSA-N 1 0 407.584 1.570 20 0 HDADRO CC(C)(CO)[NH+]1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000673895797 1073865865 /nfs/dbraw/zinc/86/58/65/1073865865.db2.gz PBLNQNSALBCPLI-IBGZPJMESA-N 1 0 417.550 1.900 20 0 HDADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)CNS(=O)(=O)CCOC(C)C)CC1 ZINC000673905922 1073878891 /nfs/dbraw/zinc/87/88/91/1073878891.db2.gz OPOPOIFWIBWALN-UHFFFAOYSA-N 1 0 411.568 1.374 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N[C@H](C)C3CC[NH+](C)CC3)C2=O)c1 ZINC000673913596 1073880456 /nfs/dbraw/zinc/88/04/56/1073880456.db2.gz QAIDVNONVUVQHH-KUHUBIRLSA-N 1 0 404.511 1.839 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)C1=O ZINC000673929782 1073898660 /nfs/dbraw/zinc/89/86/60/1073898660.db2.gz MSSHLZKZSOLDCN-JTSKRJEESA-N 1 0 414.506 1.402 20 0 HDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1Cl ZINC000673929296 1073899737 /nfs/dbraw/zinc/89/97/37/1073899737.db2.gz ZMFCJAXESUUAIZ-HNNXBMFYSA-N 1 0 414.959 1.699 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1=O ZINC000673930431 1073902394 /nfs/dbraw/zinc/90/23/94/1073902394.db2.gz JGQLLCIZMQOWAL-HTAPYJJXSA-N 1 0 414.506 1.498 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc3c(cc2Br)OCO3)C1=O ZINC000673929990 1073903050 /nfs/dbraw/zinc/90/30/50/1073903050.db2.gz DONHCNJMCIRZIY-GTNSWQLSSA-N 1 0 410.268 1.988 20 0 HDADRO CC(C)n1cc([C@@H](C)[NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)cn1 ZINC000543506303 1073904616 /nfs/dbraw/zinc/90/46/16/1073904616.db2.gz ZNLNPCCZHZHNBJ-UONOGXRCSA-N 1 0 405.524 1.740 20 0 HDADRO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000014528174 1073908989 /nfs/dbraw/zinc/90/89/89/1073908989.db2.gz NAZSNGCMBYITQP-UHFFFAOYSA-N 1 0 408.524 1.009 20 0 HDADRO C[C@@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000673938704 1073911588 /nfs/dbraw/zinc/91/15/88/1073911588.db2.gz CQCWRFFRVIHYKQ-MRXNPFEDSA-N 1 0 409.552 1.416 20 0 HDADRO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000140799692 1073944510 /nfs/dbraw/zinc/94/45/10/1073944510.db2.gz GWVIZXOYNDKGLD-VXGBXAGGSA-N 1 0 410.437 2.000 20 0 HDADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000429175312 1073947353 /nfs/dbraw/zinc/94/73/53/1073947353.db2.gz SPNUWLJUNWCAFS-QHCPKHFHSA-N 1 0 424.549 1.724 20 0 HDADRO CC[N@H+](CCC1CCN(C(=O)NCCNS(=O)(=O)NC(C)C)CC1)CC(C)C ZINC000429178244 1073962277 /nfs/dbraw/zinc/96/22/77/1073962277.db2.gz CGYFUYZUPBDMGD-UHFFFAOYSA-N 1 0 419.636 1.608 20 0 HDADRO CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000670440948 1073963888 /nfs/dbraw/zinc/96/38/88/1073963888.db2.gz NAKXQUOLGSSRPW-QHAWAJNXSA-N 1 0 409.534 1.795 20 0 HDADRO C[C@@H]([NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1OCCc2sccc21 ZINC000429180112 1073969098 /nfs/dbraw/zinc/96/90/98/1073969098.db2.gz JHIHSWASHVHHIB-BFUOFWGJSA-N 1 0 423.560 1.346 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCCc2cn3c(n2)SCC3)CC1 ZINC000466569708 1073970108 /nfs/dbraw/zinc/97/01/08/1073970108.db2.gz ISKAIEZEKGERJL-UHFFFAOYSA-N 1 0 401.540 1.178 20 0 HDADRO O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000543520538 1073984369 /nfs/dbraw/zinc/98/43/69/1073984369.db2.gz KMAOBZCHGQYBDE-MRXNPFEDSA-N 1 0 420.535 1.199 20 0 HDADRO O=C(CC[NH+]1CCCCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC001005046364 1073984384 /nfs/dbraw/zinc/98/43/84/1073984384.db2.gz IVGQDGLJRIBTJY-WGEHRRGWSA-N 1 0 405.539 1.162 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000509189619 1074004741 /nfs/dbraw/zinc/00/47/41/1074004741.db2.gz GELCKTJITVXPDU-RDTXWAMCSA-N 1 0 415.581 1.478 20 0 HDADRO CNC(=O)N[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000466583950 1074023156 /nfs/dbraw/zinc/02/31/56/1074023156.db2.gz ANTDCCMZPSWSFM-LJQANCHMSA-N 1 0 416.570 1.610 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 ZINC000543530954 1074023172 /nfs/dbraw/zinc/02/31/72/1074023172.db2.gz XIDMCBWQFQISMO-CQSZACIVSA-N 1 0 400.483 1.065 20 0 HDADRO CCn1cnnc1-c1ccccc1NC(=O)C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000543533493 1074032277 /nfs/dbraw/zinc/03/22/77/1074032277.db2.gz OTJLLLDTSOMCIA-UHFFFAOYSA-N 1 0 413.526 1.047 20 0 HDADRO CC[NH+](CC)CCCC1CCN(C(=O)NCCNS(=O)(=O)NC(C)C)CC1 ZINC000429191646 1074033759 /nfs/dbraw/zinc/03/37/59/1074033759.db2.gz DQKNGLBJJJUKMG-UHFFFAOYSA-N 1 0 405.609 1.362 20 0 HDADRO CCOC(=O)[C@]1(C)CN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC001649122450 1074035569 /nfs/dbraw/zinc/03/55/69/1074035569.db2.gz PLTWYUJRBGKDBY-LIRRHRJNSA-N 1 0 401.504 1.012 20 0 HDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)C1 ZINC000543536506 1074040661 /nfs/dbraw/zinc/04/06/61/1074040661.db2.gz PIYYWOSUTMEOOP-INIZCTEOSA-N 1 0 401.511 1.387 20 0 HDADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000674002053 1074041036 /nfs/dbraw/zinc/04/10/36/1074041036.db2.gz BPVUDTQRBOIAFG-UHFFFAOYSA-N 1 0 420.535 1.668 20 0 HDADRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)([NH+](C)C)C1 ZINC000543535380 1074041497 /nfs/dbraw/zinc/04/14/97/1074041497.db2.gz XUXMRTDVIOLLQA-ZHRRBRCNSA-N 1 0 415.538 1.777 20 0 HDADRO COc1ccc(CN2CCCN(C(=O)NCCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000466586181 1074042321 /nfs/dbraw/zinc/04/23/21/1074042321.db2.gz PODYPDHQYIXXJU-UHFFFAOYSA-N 1 0 418.538 1.552 20 0 HDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000543535257 1074042343 /nfs/dbraw/zinc/04/23/43/1074042343.db2.gz TYGHVUSEXYHRSU-CVEARBPZSA-N 1 0 401.511 1.387 20 0 HDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000509197898 1074048452 /nfs/dbraw/zinc/04/84/52/1074048452.db2.gz SWOVHGOQRFKNQD-CQSZACIVSA-N 1 0 413.316 1.531 20 0 HDADRO Cc1cc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)ccc1-n1cnnn1 ZINC000058739487 1074057913 /nfs/dbraw/zinc/05/79/13/1074057913.db2.gz HDDZDKYAUDBRLN-UHFFFAOYSA-N 1 0 407.434 1.693 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1=O ZINC000466603795 1074068709 /nfs/dbraw/zinc/06/87/09/1074068709.db2.gz GECSCSXEAFNPQO-UGFHNGPFSA-N 1 0 406.508 1.422 20 0 HDADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1 ZINC000674017817 1074069128 /nfs/dbraw/zinc/06/91/28/1074069128.db2.gz FQPAFTPCLSQNBS-ZDUSSCGKSA-N 1 0 404.492 1.651 20 0 HDADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000429200248 1074071666 /nfs/dbraw/zinc/07/16/66/1074071666.db2.gz QLFGLSIBWHQPMY-NRFANRHFSA-N 1 0 407.478 1.763 20 0 HDADRO O=C(Nc1nncs1)C1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC001626093652 1074074218 /nfs/dbraw/zinc/07/42/18/1074074218.db2.gz VFPSSBZJEISLMO-OAHLLOKOSA-N 1 0 409.581 1.933 20 0 HDADRO C[NH+](C)[C@H](CC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC001626093540 1074074805 /nfs/dbraw/zinc/07/48/05/1074074805.db2.gz NGSMBFQJESVNMY-HXUWFJFHSA-N 1 0 409.534 1.930 20 0 HDADRO CS(=O)(=O)NC1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCCCC1 ZINC000674031952 1074090230 /nfs/dbraw/zinc/09/02/30/1074090230.db2.gz FUQZYSZEYOHHLM-UHFFFAOYSA-N 1 0 400.589 1.945 20 0 HDADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)Nc3cnn(CC[NH+](C)C)c3)C2)c1 ZINC000674026048 1074093330 /nfs/dbraw/zinc/09/33/30/1074093330.db2.gz UDGKWNXNABNDOK-OAHLLOKOSA-N 1 0 402.499 1.862 20 0 HDADRO C[N@@H+]1CCN(CCCNC(=O)NCC(C)(C)S(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC000674029387 1074097361 /nfs/dbraw/zinc/09/73/61/1074097361.db2.gz OPYFXBZPQHRNEB-SFHVURJKSA-N 1 0 410.584 1.488 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)n1 ZINC001626097315 1074099152 /nfs/dbraw/zinc/09/91/52/1074099152.db2.gz GONNHYGAFVVEPN-UHFFFAOYSA-N 1 0 404.490 1.580 20 0 HDADRO CCn1c(N)c(C(=O)C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]c1=O ZINC000543560008 1074106618 /nfs/dbraw/zinc/10/66/18/1074106618.db2.gz WFJZGQSJJPGABW-GDBMZVCRSA-N 1 0 404.442 1.725 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(OCC(F)F)cc3)CC2)C1 ZINC000674039207 1074113056 /nfs/dbraw/zinc/11/30/56/1074113056.db2.gz LDEBVCPRUCJVOE-INIZCTEOSA-N 1 0 410.465 1.507 20 0 HDADRO COc1ccc(CN2CCN(C(=O)C[N@@H+]3CCC[C@@H](C(=O)N(C)C)C3)CC2)cc1 ZINC000110737139 1074114071 /nfs/dbraw/zinc/11/40/71/1074114071.db2.gz WWPSYFCZFVTYEL-LJQANCHMSA-N 1 0 402.539 1.140 20 0 HDADRO O=C(COC(=O)CCCNC(=O)c1ccc(F)cc1F)NC1CC[NH+](C2CC2)CC1 ZINC000925368649 1074129033 /nfs/dbraw/zinc/12/90/33/1074129033.db2.gz YBKWKWKUUFWMOW-UHFFFAOYSA-N 1 0 423.460 1.761 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cccnc2N2CCCCC2)C1 ZINC000509211393 1074144488 /nfs/dbraw/zinc/14/44/88/1074144488.db2.gz ZEMVZDBKAAPNFD-GOSISDBHSA-N 1 0 417.554 1.970 20 0 HDADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccnc(O[C@H]2CCOC2)c1 ZINC000543578063 1074160395 /nfs/dbraw/zinc/16/03/95/1074160395.db2.gz TXBUUYUJFJOTNQ-QHAWAJNXSA-N 1 0 411.502 1.862 20 0 HDADRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766059556 1074165749 /nfs/dbraw/zinc/16/57/49/1074165749.db2.gz IAWFJRNTMPBJMM-BBRMVZONSA-N 1 0 406.570 1.860 20 0 HDADRO CC[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1OCC(=O)NC ZINC000674145478 1074191710 /nfs/dbraw/zinc/19/17/10/1074191710.db2.gz FXUJSXZCSWNQLY-PKOBYXMFSA-N 1 0 418.538 1.626 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCN1CCCS1(=O)=O ZINC000674157822 1074195114 /nfs/dbraw/zinc/19/51/14/1074195114.db2.gz PGBQDUZORWFPMD-PKOBYXMFSA-N 1 0 408.568 1.622 20 0 HDADRO CC[C@@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1nnc2n1CCCCC2 ZINC000674169250 1074201954 /nfs/dbraw/zinc/20/19/54/1074201954.db2.gz PHHZSAYJOMAIPE-QZTJIDSGSA-N 1 0 403.575 1.877 20 0 HDADRO Cc1cc(N2CCC(NC(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)nc(C)n1 ZINC000674188052 1074203255 /nfs/dbraw/zinc/20/32/55/1074203255.db2.gz NMMUKYIRFCRAGD-OALUTQOASA-N 1 0 402.543 1.303 20 0 HDADRO CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000674193200 1074208493 /nfs/dbraw/zinc/20/84/93/1074208493.db2.gz SISVWPXHUBQNAC-QGZVFWFLSA-N 1 0 408.524 1.377 20 0 HDADRO O=C(NCc1ccc(COC2CCOCC2)cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000674255261 1074241080 /nfs/dbraw/zinc/24/10/80/1074241080.db2.gz AGZZCRYKFMVFKO-FQEVSTJZSA-N 1 0 415.534 1.695 20 0 HDADRO O=c1c(Cl)c(N2CC[NH+](C[C@@H]3CCOC3)CC2)cnn1-c1nc2ccccc2[nH]1 ZINC000674248587 1074242184 /nfs/dbraw/zinc/24/21/84/1074242184.db2.gz QPCPXWHTCBCBHT-AWEZNQCLSA-N 1 0 414.897 1.921 20 0 HDADRO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000674298782 1074262801 /nfs/dbraw/zinc/26/28/01/1074262801.db2.gz CUFAGFMBLMACSW-KURKYZTESA-N 1 0 406.914 1.686 20 0 HDADRO COc1ccc(-n2cnnc2SCC(=O)NCC[NH+]2CCC(OC)CC2)cc1 ZINC000674311784 1074269586 /nfs/dbraw/zinc/26/95/86/1074269586.db2.gz RYUBSCDSLMFKHI-UHFFFAOYSA-N 1 0 405.524 1.595 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccnc(Sc3ccccn3)c2)CC1 ZINC000674321635 1074271426 /nfs/dbraw/zinc/27/14/26/1074271426.db2.gz YTXOXECPJNOJFV-UHFFFAOYSA-N 1 0 415.519 1.793 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1 ZINC000674321605 1074271908 /nfs/dbraw/zinc/27/19/08/1074271908.db2.gz ZHBNRSRJZIHZMP-UHFFFAOYSA-N 1 0 400.483 1.050 20 0 HDADRO COC1CC[NH+](CCNC(=O)CS(=O)(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000674324083 1074272879 /nfs/dbraw/zinc/27/28/79/1074272879.db2.gz LEVRYYGFXSBCCY-UHFFFAOYSA-N 1 0 413.540 1.443 20 0 HDADRO COC1CC[NH+](CCNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000674324990 1074273868 /nfs/dbraw/zinc/27/38/68/1074273868.db2.gz KFTMLFYXNLPULC-UHFFFAOYSA-N 1 0 403.932 1.188 20 0 HDADRO COC1CC[NH+](CCNC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000674324660 1074274943 /nfs/dbraw/zinc/27/49/43/1074274943.db2.gz OLAZVWGBIDFSCI-NRFANRHFSA-N 1 0 410.518 1.650 20 0 HDADRO COC1CC[NH+](CCNC(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000674328174 1074276801 /nfs/dbraw/zinc/27/68/01/1074276801.db2.gz KMZJIMASCCJJSJ-OAHLLOKOSA-N 1 0 412.556 1.408 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)NCCCN2CCCS2(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000674329172 1074277921 /nfs/dbraw/zinc/27/79/21/1074277921.db2.gz YWASXBDTPXTHMM-HKUYNNGSSA-N 1 0 408.568 1.764 20 0 HDADRO COC1CC[NH+](CCNC(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 ZINC000674328907 1074278491 /nfs/dbraw/zinc/27/84/91/1074278491.db2.gz SZXNDPNCEZOTLS-OAQYLSRUSA-N 1 0 404.555 1.778 20 0 HDADRO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674329929 1074279102 /nfs/dbraw/zinc/27/91/02/1074279102.db2.gz UXTKZGUMNZRPDA-RBUKOAKNSA-N 1 0 421.973 1.624 20 0 HDADRO Cc1cc(NC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)n(C2CC[NH+](C)CC2)n1 ZINC000674319030 1074279506 /nfs/dbraw/zinc/27/95/06/1074279506.db2.gz MWHQGBYBWBIPLM-WMLDXEAASA-N 1 0 414.514 1.507 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000674317604 1074279590 /nfs/dbraw/zinc/27/95/90/1074279590.db2.gz UOIAFJKFXLFEHA-UHFFFAOYSA-N 1 0 415.538 1.721 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccccc2OCc2cscn2)CC1 ZINC000674320244 1074280556 /nfs/dbraw/zinc/28/05/56/1074280556.db2.gz GRSYUIHVIIFECJ-UHFFFAOYSA-N 1 0 418.519 1.888 20 0 HDADRO COCCCOc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000674321244 1074281824 /nfs/dbraw/zinc/28/18/24/1074281824.db2.gz XQSFDWJHDZAZAK-LJQANCHMSA-N 1 0 418.538 1.279 20 0 HDADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)NCC[NH+]3CCC(OC)CC3)C2)c1 ZINC000674330875 1074285831 /nfs/dbraw/zinc/28/58/31/1074285831.db2.gz ALKSBPISDVXWRR-MRXNPFEDSA-N 1 0 406.527 1.693 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000674330900 1074285951 /nfs/dbraw/zinc/28/59/51/1074285951.db2.gz AXGSKTPOJPXCBG-IEBWSBKVSA-N 1 0 423.583 1.173 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000674330747 1074286272 /nfs/dbraw/zinc/28/62/72/1074286272.db2.gz NRKVOJSKQQBDIP-LJQANCHMSA-N 1 0 423.602 1.119 20 0 HDADRO C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1noc(Cc2ccccc2)n1 ZINC000674389960 1074307786 /nfs/dbraw/zinc/30/77/86/1074307786.db2.gz LEGCRTADEJCCCZ-WMZOPIPTSA-N 1 0 411.506 1.924 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1=O ZINC000674426595 1074329991 /nfs/dbraw/zinc/32/99/91/1074329991.db2.gz ORLAYUXGEAQZRY-KKSFZXQISA-N 1 0 417.510 1.147 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000674427641 1074331188 /nfs/dbraw/zinc/33/11/88/1074331188.db2.gz YZMPLVQQAHVPPU-IIBYNOLFSA-N 1 0 414.510 1.066 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCc2ccccc2OCC[NH+](C)C)C1=O ZINC000674429141 1074331424 /nfs/dbraw/zinc/33/14/24/1074331424.db2.gz KJVUMTZAVIKMDA-KKSFZXQISA-N 1 0 417.510 1.147 20 0 HDADRO CN(CCN1CCCS1(=O)=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000674433815 1074332387 /nfs/dbraw/zinc/33/23/87/1074332387.db2.gz ZVKYZRQHLMXILV-SFHVURJKSA-N 1 0 400.589 1.708 20 0 HDADRO C[C@H](CCNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[N@H+](C)Cc1ccccc1 ZINC000674435408 1074333666 /nfs/dbraw/zinc/33/36/66/1074333666.db2.gz REUKCKQOKXOGSL-CDMIOBSGSA-N 1 0 415.538 1.917 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1=O ZINC000674441543 1074355225 /nfs/dbraw/zinc/35/52/25/1074355225.db2.gz VLKTZYDAECTYOR-QVKFZJNVSA-N 1 0 405.543 1.803 20 0 HDADRO CCN1C(=O)[C@H]2C[N@H+](C[C@@H](O)COc3cccc(C(F)(F)F)c3)CCN2C1=O ZINC000674469188 1074366696 /nfs/dbraw/zinc/36/66/96/1074366696.db2.gz XHLKTUZNBQTMDX-UKRRQHHQSA-N 1 0 401.385 1.413 20 0 HDADRO CCN1C(=O)[C@@H]2C[N@H+](CCC(=O)Nc3ccc(N4CCCC4=O)cc3)CCN2C1=O ZINC000674469093 1074366929 /nfs/dbraw/zinc/36/69/29/1074366929.db2.gz WKIZYVZWUYJJCV-KRWDZBQOSA-N 1 0 413.478 1.110 20 0 HDADRO CCN1C(=O)[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CCN2C1=O ZINC000674470020 1074368500 /nfs/dbraw/zinc/36/85/00/1074368500.db2.gz NXMWDMZUZKYFPU-ABAIWWIYSA-N 1 0 402.278 1.701 20 0 HDADRO CCN1C(=O)[C@H]2C[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CCN2C1=O ZINC000674471526 1074370200 /nfs/dbraw/zinc/37/02/00/1074370200.db2.gz GGTFJMQZOOQAHA-TZMCWYRMSA-N 1 0 402.278 1.701 20 0 HDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CCN1CCCS1(=O)=O ZINC000674494801 1074405134 /nfs/dbraw/zinc/40/51/34/1074405134.db2.gz CFGVYAOYFVPGKB-SFHVURJKSA-N 1 0 422.595 1.123 20 0 HDADRO C[C@H](C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674514707 1074411967 /nfs/dbraw/zinc/41/19/67/1074411967.db2.gz WAFCSOGVHAKDFT-HKUYNNGSSA-N 1 0 423.579 1.754 20 0 HDADRO Cc1c(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000674520158 1074420440 /nfs/dbraw/zinc/42/04/40/1074420440.db2.gz YPNLBOPTYYRUJI-INIZCTEOSA-N 1 0 410.522 1.693 20 0 HDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ncccc2OCC(F)(F)F)CC1 ZINC000674545827 1074427271 /nfs/dbraw/zinc/42/72/71/1074427271.db2.gz BDPQLQFNMHUEQR-CYBMUJFWSA-N 1 0 400.401 1.577 20 0 HDADRO Cc1cc(NC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)n(C2CC[NH+](C)CC2)n1 ZINC000674573648 1074451502 /nfs/dbraw/zinc/45/15/02/1074451502.db2.gz OBSYJVBLNPZXMO-XOBRGWDASA-N 1 0 417.514 1.300 20 0 HDADRO CN(CCN1CCCS1(=O)=O)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000674615286 1074484702 /nfs/dbraw/zinc/48/47/02/1074484702.db2.gz GLLDXSDXRMUPDM-OAHLLOKOSA-N 1 0 400.570 1.562 20 0 HDADRO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)[NH+](C)C)cc1 ZINC000674615013 1074485238 /nfs/dbraw/zinc/48/52/38/1074485238.db2.gz DAWTZWFRGJKMRC-NPPFBWRTSA-N 1 0 415.538 1.871 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1=O ZINC000674615055 1074485284 /nfs/dbraw/zinc/48/52/84/1074485284.db2.gz DYZXZQKMCCMCKW-KKVAFCGZSA-N 1 0 405.474 1.448 20 0 HDADRO COc1cccc([C@H](CNC(=O)N(C)CCN2CCCS2(=O)=O)[NH+]2CCCC2)c1 ZINC000674616540 1074486462 /nfs/dbraw/zinc/48/64/62/1074486462.db2.gz UKVIQQKTACCZOY-IBGZPJMESA-N 1 0 424.567 1.509 20 0 HDADRO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1 ZINC000674639339 1074498269 /nfs/dbraw/zinc/49/82/69/1074498269.db2.gz SQXQNYPTWOJMRP-DYESRHJHSA-N 1 0 407.559 1.764 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1=O ZINC000674639362 1074498281 /nfs/dbraw/zinc/49/82/81/1074498281.db2.gz SYYTVIOCBAKPPK-KKSFZXQISA-N 1 0 419.501 1.619 20 0 HDADRO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1 ZINC000674639340 1074498289 /nfs/dbraw/zinc/49/82/89/1074498289.db2.gz SQXQNYPTWOJMRP-LAUBAEHRSA-N 1 0 407.559 1.764 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(-c3csnn3)cc2)CC1 ZINC000142184767 1074514658 /nfs/dbraw/zinc/51/46/58/1074514658.db2.gz BWSHNRMGLLGYSC-UHFFFAOYSA-N 1 0 402.524 1.286 20 0 HDADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000674714017 1074533412 /nfs/dbraw/zinc/53/34/12/1074533412.db2.gz LIQDNHARDIISFW-LJQANCHMSA-N 1 0 402.539 1.179 20 0 HDADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CO)CC1 ZINC000674714016 1074533542 /nfs/dbraw/zinc/53/35/42/1074533542.db2.gz LIQDNHARDIISFW-IBGZPJMESA-N 1 0 402.539 1.179 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000674708275 1074536303 /nfs/dbraw/zinc/53/63/03/1074536303.db2.gz MBLRRIHLNHXDKG-LJQANCHMSA-N 1 0 420.579 1.859 20 0 HDADRO CN(CCCC[NH+](C)C)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000674720102 1074539352 /nfs/dbraw/zinc/53/93/52/1074539352.db2.gz WSKXFCBOCBIQNX-UHFFFAOYSA-N 1 0 409.549 1.050 20 0 HDADRO COCCOc1cc(C)ccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000674778548 1074553805 /nfs/dbraw/zinc/55/38/05/1074553805.db2.gz LCZVJSPOKOKDGP-LJQANCHMSA-N 1 0 404.555 1.988 20 0 HDADRO COCC[NH+](CCOC)C1CCN(C(=O)C2(C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001128822229 1074558035 /nfs/dbraw/zinc/55/80/35/1074558035.db2.gz HKURTWVUQRCROD-UHFFFAOYSA-N 1 0 413.559 1.829 20 0 HDADRO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674782876 1074563386 /nfs/dbraw/zinc/56/33/86/1074563386.db2.gz ALZGRZGBPSYKMN-DLBZAZTESA-N 1 0 423.508 1.249 20 0 HDADRO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674800297 1074574171 /nfs/dbraw/zinc/57/41/71/1074574171.db2.gz ZOYALXURJJZFSB-RDJZCZTQSA-N 1 0 411.543 1.520 20 0 HDADRO CC(C)(C)OC(=O)N1CC(OCC(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)C1 ZINC001168753430 1074579781 /nfs/dbraw/zinc/57/97/81/1074579781.db2.gz UHMKYFXCGLUFEW-QGZVFWFLSA-N 1 0 407.486 1.805 20 0 HDADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)c2cn(CC(=O)N(C)C)nn2)c1 ZINC001128860112 1074595680 /nfs/dbraw/zinc/59/56/80/1074595680.db2.gz CVFCSCIAMPUINL-UHFFFAOYSA-N 1 0 416.482 1.117 20 0 HDADRO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c(=O)[nH]c1=O ZINC000429241142 1074598612 /nfs/dbraw/zinc/59/86/12/1074598612.db2.gz ZOZMJYSXSASOHF-INIZCTEOSA-N 1 0 421.542 1.433 20 0 HDADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000674911735 1074616766 /nfs/dbraw/zinc/61/67/66/1074616766.db2.gz NWVBBSIMZCKTAS-FGZHOGPDSA-N 1 0 401.551 1.955 20 0 HDADRO O=C(C[NH+]1CCC(OCCCO)CC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000674913424 1074618832 /nfs/dbraw/zinc/61/88/32/1074618832.db2.gz VTSKQNIIYBVMKQ-UHFFFAOYSA-N 1 0 409.571 1.491 20 0 HDADRO CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001168753805 1074619287 /nfs/dbraw/zinc/61/92/87/1074619287.db2.gz WCJDWNQWBDOADQ-AVRDEDQJSA-N 1 0 421.513 1.931 20 0 HDADRO COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1=O ZINC000674926502 1074624124 /nfs/dbraw/zinc/62/41/24/1074624124.db2.gz BSVIFQVWWLYLDN-AEFFLSMTSA-N 1 0 415.538 1.268 20 0 HDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000674917051 1074627457 /nfs/dbraw/zinc/62/74/57/1074627457.db2.gz IFZXDYSZHUAYRN-VXKWHMMOSA-N 1 0 416.566 1.914 20 0 HDADRO CCS(=O)(=O)NCc1ccc(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC001168753942 1074644846 /nfs/dbraw/zinc/64/48/46/1074644846.db2.gz WUVDMKNXGOSZEQ-FQEVSTJZSA-N 1 0 419.522 1.922 20 0 HDADRO CCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CC[NH+](CCOC)CC3)cc(C(C)C)nc21 ZINC000142454185 1074648000 /nfs/dbraw/zinc/64/80/00/1074648000.db2.gz ZXFJQLDNDKWHOA-UHFFFAOYSA-N 1 0 417.510 1.069 20 0 HDADRO C[NH+]1CCN(C[C@H](NC(=O)N2CCC(OCCCO)CC2)c2ccccc2)CC1 ZINC000674978312 1074651689 /nfs/dbraw/zinc/65/16/89/1074651689.db2.gz IASJGGLRERKYKM-NRFANRHFSA-N 1 0 404.555 1.548 20 0 HDADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000674979515 1074652102 /nfs/dbraw/zinc/65/21/02/1074652102.db2.gz AQFGOOQXDWIRIB-LEWJYISDSA-N 1 0 403.523 1.733 20 0 HDADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000766086141 1074658991 /nfs/dbraw/zinc/65/89/91/1074658991.db2.gz ZCOGNTRXBMRLKN-SFHVURJKSA-N 1 0 415.494 1.722 20 0 HDADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000674985743 1074660164 /nfs/dbraw/zinc/66/01/64/1074660164.db2.gz JGHAUARNCOJGLP-SFTDATJTSA-N 1 0 403.523 1.733 20 0 HDADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000429308951 1074668963 /nfs/dbraw/zinc/66/89/63/1074668963.db2.gz MDEWUKNKJZLXSM-LNLFQRSKSA-N 1 0 418.538 1.606 20 0 HDADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000675041892 1074698770 /nfs/dbraw/zinc/69/87/70/1074698770.db2.gz CUJDDVHOXNXMNB-RDJZCZTQSA-N 1 0 409.552 1.650 20 0 HDADRO CC(C)(C)n1nnc(CC[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001034323121 1074698820 /nfs/dbraw/zinc/69/88/20/1074698820.db2.gz GYRYQGFDYGOYNK-PITCONLNSA-N 1 0 402.543 1.365 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000675086198 1074702276 /nfs/dbraw/zinc/70/22/76/1074702276.db2.gz RABSISFQGQMFLK-NRFANRHFSA-N 1 0 417.550 1.982 20 0 HDADRO COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000442349386 1074716035 /nfs/dbraw/zinc/71/60/35/1074716035.db2.gz MKOUMGQOEGREAF-KRWDZBQOSA-N 1 0 421.457 1.887 20 0 HDADRO CCC1(CC)[C@H]([NH2+]CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)[C@@H](C)[C@H]1OC ZINC000429318459 1074721332 /nfs/dbraw/zinc/72/13/32/1074721332.db2.gz NNKKEUNPARDWKI-JOCBIADPSA-N 1 0 404.573 1.078 20 0 HDADRO COC(=O)CCc1nnc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000467469227 1074728592 /nfs/dbraw/zinc/72/85/92/1074728592.db2.gz MUBDGHBTCOWWCE-HIFRSBDPSA-N 1 0 403.508 2.428 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)Nc3ccccc3OCC[NH+](CC)CC)CCN2C1=O ZINC000675137931 1074728955 /nfs/dbraw/zinc/72/89/55/1074728955.db2.gz LVWUXCMPRMADTL-QGZVFWFLSA-N 1 0 417.510 1.907 20 0 HDADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1=O ZINC000675127116 1074733835 /nfs/dbraw/zinc/73/38/35/1074733835.db2.gz IUZIQEMULUZALK-MRXNPFEDSA-N 1 0 414.506 1.004 20 0 HDADRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)Nc1ccccc1CN1CCNC1=O ZINC000543615386 1074734906 /nfs/dbraw/zinc/73/49/06/1074734906.db2.gz ZSTXXUFEUBXGND-UXHICEINSA-N 1 0 423.517 1.969 20 0 HDADRO Cc1cnn(-c2ccc(S(=O)(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc2F)c1 ZINC000675130676 1074736221 /nfs/dbraw/zinc/73/62/21/1074736221.db2.gz RSPIKQNQKJFMBB-KRWDZBQOSA-N 1 0 421.542 1.720 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000477033778 1074736517 /nfs/dbraw/zinc/73/65/17/1074736517.db2.gz NJHCCKUECQGDDY-INIZCTEOSA-N 1 0 423.627 1.931 20 0 HDADRO Cc1nc(-c2ccccc2)[nH]c1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000675143789 1074742399 /nfs/dbraw/zinc/74/23/99/1074742399.db2.gz DHHAIPIHNOAGJU-KRWDZBQOSA-N 1 0 404.536 1.966 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000675164925 1074746649 /nfs/dbraw/zinc/74/66/49/1074746649.db2.gz NWWFGYZZFGWTRJ-QGZVFWFLSA-N 1 0 404.511 1.920 20 0 HDADRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CC2 ZINC000675154594 1074747170 /nfs/dbraw/zinc/74/71/70/1074747170.db2.gz IVOVAQYOCWUXKX-COXVUDFISA-N 1 0 412.456 1.966 20 0 HDADRO Cc1c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000675188287 1074751965 /nfs/dbraw/zinc/75/19/65/1074751965.db2.gz JJKLZSFFYMNHMF-IEBWSBKVSA-N 1 0 408.506 1.447 20 0 HDADRO COC(=O)Cn1ccc(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)n1 ZINC000562215895 1074752279 /nfs/dbraw/zinc/75/22/79/1074752279.db2.gz DTMCOUTVBJEUEO-QGZVFWFLSA-N 1 0 403.483 2.268 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000675190489 1074753052 /nfs/dbraw/zinc/75/30/52/1074753052.db2.gz KQGAFGYSHBFEMV-MRXNPFEDSA-N 1 0 416.588 1.133 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000675192662 1074753271 /nfs/dbraw/zinc/75/32/71/1074753271.db2.gz IYGKMLNLQQUJLP-KXBFYZLASA-N 1 0 404.511 1.983 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000766097531 1074753540 /nfs/dbraw/zinc/75/35/40/1074753540.db2.gz MGBQSUUGHZLJAF-CYKHJPMSSA-N 1 0 424.545 1.732 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000675194058 1074753575 /nfs/dbraw/zinc/75/35/75/1074753575.db2.gz JISWMUPUSSBAHT-HXUWFJFHSA-N 1 0 413.566 1.777 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000675193989 1074753620 /nfs/dbraw/zinc/75/36/20/1074753620.db2.gz MLSFRCKCOSFQQO-OAHLLOKOSA-N 1 0 417.514 1.695 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000675194081 1074753648 /nfs/dbraw/zinc/75/36/48/1074753648.db2.gz KEVKMODEUYKFFG-IAGOWNOFSA-N 1 0 404.511 1.485 20 0 HDADRO CN(CCCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000766096070 1074754997 /nfs/dbraw/zinc/75/49/97/1074754997.db2.gz GDOQJRUAHIAENQ-SJLPKXTDSA-N 1 0 418.563 1.790 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000675199293 1074756122 /nfs/dbraw/zinc/75/61/22/1074756122.db2.gz IKGRSNLORGWPAP-QGZVFWFLSA-N 1 0 402.495 1.757 20 0 HDADRO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429323450 1074757759 /nfs/dbraw/zinc/75/77/59/1074757759.db2.gz WIJKIHADPXAKLO-UZLBHIALSA-N 1 0 407.470 1.831 20 0 HDADRO Cc1coc(-c2cccc(NC(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)c2)n1 ZINC000675209540 1074758378 /nfs/dbraw/zinc/75/83/78/1074758378.db2.gz DZLLHHFDUCQUSE-IBGZPJMESA-N 1 0 411.506 1.827 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000675194839 1074759386 /nfs/dbraw/zinc/75/93/86/1074759386.db2.gz WEUMWFMNHYCPCX-HXUWFJFHSA-N 1 0 401.555 1.504 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000675194810 1074759421 /nfs/dbraw/zinc/75/94/21/1074759421.db2.gz VTNBBNHUQNFKJA-HSALFYBXSA-N 1 0 407.603 1.693 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNC(C)(C)c2cc(C(F)(F)F)on2)C1 ZINC000429244261 1074763522 /nfs/dbraw/zinc/76/35/22/1074763522.db2.gz JQEWCYBCUGPMII-CYBMUJFWSA-N 1 0 406.449 1.991 20 0 HDADRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)NCCNc3cnccn3)c2)CC1 ZINC000539886793 1074767309 /nfs/dbraw/zinc/76/73/09/1074767309.db2.gz MBYSHPGJVVRZRC-UHFFFAOYSA-N 1 0 410.522 1.918 20 0 HDADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)nn1-c1ccc(F)cc1F ZINC000580254298 1074774992 /nfs/dbraw/zinc/77/49/92/1074774992.db2.gz MHKULTMZLJFOGN-CYBMUJFWSA-N 1 0 405.449 2.388 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000477072764 1074779592 /nfs/dbraw/zinc/77/95/92/1074779592.db2.gz VCSHQAUSQSSAII-INIZCTEOSA-N 1 0 421.538 1.920 20 0 HDADRO CCC(CC)C(=O)N1CCC(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000473395422 1074780637 /nfs/dbraw/zinc/78/06/37/1074780637.db2.gz LXMWCKMFXQEGTN-UHFFFAOYSA-N 1 0 412.494 1.749 20 0 HDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675291908 1074782500 /nfs/dbraw/zinc/78/25/00/1074782500.db2.gz WQSVENLCIANVSK-CKEIUWERSA-N 1 0 422.476 1.423 20 0 HDADRO Cc1cc(NC(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)no1 ZINC000597883917 1074785836 /nfs/dbraw/zinc/78/58/36/1074785836.db2.gz FNAKAWXAKOFGQM-UHFFFAOYSA-N 1 0 411.384 2.331 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000477080469 1074786492 /nfs/dbraw/zinc/78/64/92/1074786492.db2.gz IEZKYGFVKFCAKS-PKOBYXMFSA-N 1 0 402.539 1.183 20 0 HDADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446714348 1074786911 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C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000543643472 1075257024 /nfs/dbraw/zinc/25/70/24/1075257024.db2.gz XESMCFCGOIXSJD-AWEZNQCLSA-N 1 0 416.975 1.990 20 0 HDADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000675699205 1075260179 /nfs/dbraw/zinc/26/01/79/1075260179.db2.gz RKUPZHHAQRBPAZ-PBHICJAKSA-N 1 0 422.551 1.302 20 0 HDADRO CNC(=O)c1ccc(CNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000543644428 1075262208 /nfs/dbraw/zinc/26/22/08/1075262208.db2.gz KLHQDKVHCYETNY-UHFFFAOYSA-N 1 0 401.555 1.605 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000804221143 1075262984 /nfs/dbraw/zinc/26/29/84/1075262984.db2.gz RPCQHYQHGRQZFD-GVDBMIGSSA-N 1 0 412.575 1.985 20 0 HDADRO CCOC(=O)Cc1nnc(NC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000611169617 1075268154 /nfs/dbraw/zinc/26/81/54/1075268154.db2.gz QVRMEAAJTWVMSK-UHFFFAOYSA-N 1 0 424.571 1.666 20 0 HDADRO 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C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429381979 1075287074 /nfs/dbraw/zinc/28/70/74/1075287074.db2.gz OCFGMPCLVAOIBM-IAGOWNOFSA-N 1 0 422.595 1.187 20 0 HDADRO CC[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000675887155 1075289715 /nfs/dbraw/zinc/28/97/15/1075289715.db2.gz YHOBGNHDFZNHND-FPOVZHCZSA-N 1 0 418.582 1.601 20 0 HDADRO Cc1nn(C)c2nc(C)c(CC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)c(C)c12 ZINC000675917945 1075291560 /nfs/dbraw/zinc/29/15/60/1075291560.db2.gz JZIAAJFKJPQEBO-GOSISDBHSA-N 1 0 412.538 1.201 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2nnn(C3CC3)c2C(F)(F)F)CC1 ZINC000675918784 1075291577 /nfs/dbraw/zinc/29/15/77/1075291577.db2.gz WGNUMAWZYFDSMI-GFCCVEGCSA-N 1 0 400.405 1.010 20 0 HDADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000509372166 1075291819 /nfs/dbraw/zinc/29/18/19/1075291819.db2.gz MYXZOTGJKQRRPL-UHFFFAOYSA-N 1 0 419.469 1.943 20 0 HDADRO 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CC[C@@H]1CN(C(=O)C(=O)NCC[N@H+](CC)C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000804221039 1075316667 /nfs/dbraw/zinc/31/66/67/1075316667.db2.gz GSCBJJDVZUKNHS-WBVHZDCISA-N 1 0 410.559 1.739 20 0 HDADRO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000731353847 1075317057 /nfs/dbraw/zinc/31/70/57/1075317057.db2.gz LQSLAOZVZAVDJE-CQSZACIVSA-N 1 0 403.508 1.145 20 0 HDADRO COc1ccccc1OCCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000675978541 1075317806 /nfs/dbraw/zinc/31/78/06/1075317806.db2.gz JDQGZPJEBNFXGV-KRWDZBQOSA-N 1 0 404.511 1.412 20 0 HDADRO CC[NH+]1CCC(CNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC1 ZINC000675976078 1075317991 /nfs/dbraw/zinc/31/79/91/1075317991.db2.gz CXVMRIAAURBFSC-UHFFFAOYSA-N 1 0 411.554 1.771 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000675981322 1075318765 /nfs/dbraw/zinc/31/87/65/1075318765.db2.gz KQMPUINXOYLSSZ-QFBILLFUSA-N 1 0 421.492 1.492 20 0 HDADRO COC(=O)c1cc(C(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)n(C)n1 ZINC001129158055 1075323013 /nfs/dbraw/zinc/32/30/13/1075323013.db2.gz MNKKUSIWEJKGCA-UHFFFAOYSA-N 1 0 413.478 1.560 20 0 HDADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@@H](C)N3C(=O)CCC3=O)CC2)cc1 ZINC001129157680 1075323080 /nfs/dbraw/zinc/32/30/80/1075323080.db2.gz JNEVKULIPBHZBW-CQSZACIVSA-N 1 0 400.479 1.263 20 0 HDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000509378950 1075334290 /nfs/dbraw/zinc/33/42/90/1075334290.db2.gz FNTBXOYSHKZARN-NQIIRXRSSA-N 1 0 416.566 1.243 20 0 HDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](CCCO)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000509378954 1075334325 /nfs/dbraw/zinc/33/43/25/1075334325.db2.gz FNTBXOYSHKZARN-WIYYLYMNSA-N 1 0 416.566 1.243 20 0 HDADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000676055067 1075334308 /nfs/dbraw/zinc/33/43/08/1075334308.db2.gz CUDHOVJROFHNDY-POZUXBRTSA-N 1 0 407.536 1.499 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@]2(O)CCCc3ccccc32)CC1 ZINC000731410624 1075335041 /nfs/dbraw/zinc/33/50/41/1075335041.db2.gz GHQHBIYVRBRJQO-DEOSSOPVSA-N 1 0 422.529 1.717 20 0 HDADRO Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000448508959 1075337690 /nfs/dbraw/zinc/33/76/90/1075337690.db2.gz YYJWXRRAYDOXQK-UHFFFAOYSA-N 1 0 420.517 2.489 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000509378436 1075338269 /nfs/dbraw/zinc/33/82/69/1075338269.db2.gz JRHGHPGNRZZWMK-ICSRJNTNSA-N 1 0 423.602 1.118 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1COC1CCOCC1 ZINC000676050938 1075341380 /nfs/dbraw/zinc/34/13/80/1075341380.db2.gz HOLMNVBMBSKLQQ-FQEVSTJZSA-N 1 0 417.550 1.519 20 0 HDADRO COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000509380161 1075341661 /nfs/dbraw/zinc/34/16/61/1075341661.db2.gz NEDVKJFJIIIWHM-RBUKOAKNSA-N 1 0 417.506 1.001 20 0 HDADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)cc1 ZINC000676069451 1075342102 /nfs/dbraw/zinc/34/21/02/1075342102.db2.gz OSCJMVJZKUDMAO-SJORKVTESA-N 1 0 417.597 1.408 20 0 HDADRO COc1ccc(-c2nnc(NC(=O)N3CC[N@H+](CC(C)(C)O)C[C@H]3C)s2)cc1 ZINC000444893040 1075347562 /nfs/dbraw/zinc/34/75/62/1075347562.db2.gz DACYHIAGZKZRMH-CYBMUJFWSA-N 1 0 405.524 2.523 20 0 HDADRO COc1ccc(-c2nnc(NC(=O)N3CC[N@H+](CC(C)(C)O)C[C@@H]3C)s2)cc1 ZINC000444893041 1075347724 /nfs/dbraw/zinc/34/77/24/1075347724.db2.gz DACYHIAGZKZRMH-ZDUSSCGKSA-N 1 0 405.524 2.523 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cn1 ZINC000676092547 1075351706 /nfs/dbraw/zinc/35/17/06/1075351706.db2.gz LMQUJCYIEVIDGT-HNNXBMFYSA-N 1 0 402.474 1.165 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cn1 ZINC000676092559 1075352143 /nfs/dbraw/zinc/35/21/43/1075352143.db2.gz LRLCFBGDVWASJI-CQSZACIVSA-N 1 0 420.464 1.304 20 0 HDADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)[C@H]1C(C)C ZINC000429393981 1075352431 /nfs/dbraw/zinc/35/24/31/1075352431.db2.gz MNCQEGWTGGPBJA-ICSRJNTNSA-N 1 0 409.571 1.907 20 0 HDADRO COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(OC)c1 ZINC000676092156 1075353174 /nfs/dbraw/zinc/35/31/74/1075353174.db2.gz ZDSAXJZHDVKJHI-GOSISDBHSA-N 1 0 415.494 1.764 20 0 HDADRO CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1(CC)CC ZINC000427218996 1075354118 /nfs/dbraw/zinc/35/41/18/1075354118.db2.gz XCKHCYHIGQWYQY-ZWKOTPCHSA-N 1 0 419.570 2.531 20 0 HDADRO COc1ccccc1N1CCC(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676093187 1075355200 /nfs/dbraw/zinc/35/52/00/1075355200.db2.gz GTXVHROVBRPSSA-UHFFFAOYSA-N 1 0 414.510 1.177 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cn1 ZINC000676094770 1075355641 /nfs/dbraw/zinc/35/56/41/1075355641.db2.gz QFASDALXTOMAES-UHFFFAOYSA-N 1 0 412.538 1.506 20 0 HDADRO Cc1c(C(=O)N2CCCC[C@H]2C2OCCO2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731460764 1075356215 /nfs/dbraw/zinc/35/62/15/1075356215.db2.gz BACBIVJQUBUELM-IBGZPJMESA-N 1 0 411.506 1.931 20 0 HDADRO Cc1c(Cl)cccc1NC(=O)CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676094105 1075356440 /nfs/dbraw/zinc/35/64/40/1075356440.db2.gz SEHKSVZIAHSIGM-UHFFFAOYSA-N 1 0 420.901 1.490 20 0 HDADRO COc1ccc(C[C@@H](C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1OC ZINC000676094314 1075356523 /nfs/dbraw/zinc/35/65/23/1075356523.db2.gz HRRUSIKOFQKQAS-CQSZACIVSA-N 1 0 403.483 1.148 20 0 HDADRO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000676094159 1075356919 /nfs/dbraw/zinc/35/69/19/1075356919.db2.gz RRIBPKZAEODXHG-HZPDHXFCSA-N 1 0 412.494 1.749 20 0 HDADRO COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H](C(=O)OC)C1 ZINC000509380910 1075357127 /nfs/dbraw/zinc/35/71/27/1075357127.db2.gz RLMZGTOWXFOSLW-AOIWGVFYSA-N 1 0 420.481 1.991 20 0 HDADRO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000731465683 1075357265 /nfs/dbraw/zinc/35/72/65/1075357265.db2.gz LOMQTXULFGIEBM-KRWDZBQOSA-N 1 0 420.517 1.897 20 0 HDADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)C2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000731465671 1075357289 /nfs/dbraw/zinc/35/72/89/1075357289.db2.gz KZUIMGURPSTBEZ-GOSISDBHSA-N 1 0 405.506 1.860 20 0 HDADRO COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccn(CC[NH+](C)C)n2)c(OC)c1 ZINC000523445200 1075357423 /nfs/dbraw/zinc/35/74/23/1075357423.db2.gz UZDNZWUJNTUCMU-KRWDZBQOSA-N 1 0 415.494 1.705 20 0 HDADRO O=C(NCCNC(=O)c1c(F)cccc1F)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095355 1075357783 /nfs/dbraw/zinc/35/77/83/1075357783.db2.gz MVZFKCGBUUEMSF-UHFFFAOYSA-N 1 0 414.372 1.030 20 0 HDADRO COc1cc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc(OC)c1OCC(N)=O ZINC000731468184 1075358175 /nfs/dbraw/zinc/35/81/75/1075358175.db2.gz URZSCKJTHYXKTH-MRXNPFEDSA-N 1 0 413.474 1.701 20 0 HDADRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000676096924 1075358319 /nfs/dbraw/zinc/35/83/19/1075358319.db2.gz HLFNAZKAADILRX-AZUAARDMSA-N 1 0 413.522 1.976 20 0 HDADRO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429396517 1075359625 /nfs/dbraw/zinc/35/96/25/1075359625.db2.gz BQDOHNOTIVRCSL-YESZJQIVSA-N 1 0 422.595 1.706 20 0 HDADRO O=C(NCCc1csc(N2CCCC2)n1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096517 1075359658 /nfs/dbraw/zinc/35/96/58/1075359658.db2.gz YLPBQZNZTHNTDM-UHFFFAOYSA-N 1 0 411.491 1.621 20 0 HDADRO O[C@H](C[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)CN1CCOCC1 ZINC000429396096 1075361937 /nfs/dbraw/zinc/36/19/37/1075361937.db2.gz FAUDZIHBNGHULH-QTEQDKRBSA-N 1 0 416.493 1.860 20 0 HDADRO CCN(C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1)CC(F)(F)F ZINC000676098068 1075362623 /nfs/dbraw/zinc/36/26/23/1075362623.db2.gz YEKOXKMROOEZTB-AWEZNQCLSA-N 1 0 424.427 1.939 20 0 HDADRO COc1cccc([C@H]2CN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CCO2)c1 ZINC000676099916 1075363847 /nfs/dbraw/zinc/36/38/47/1075363847.db2.gz KIVFGNLSGUMBSJ-LJQANCHMSA-N 1 0 407.430 1.815 20 0 HDADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)[C@H]1C(C)C ZINC000429397861 1075364788 /nfs/dbraw/zinc/36/47/88/1075364788.db2.gz GMNAAXCWLRDGAK-PXNSSMCTSA-N 1 0 405.495 1.612 20 0 HDADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccn(CCN2CCOCC2)n1)[NH+](C)C ZINC000579872515 1075366520 /nfs/dbraw/zinc/36/65/20/1075366520.db2.gz BMGRYQILOTTWEM-WIYYLYMNSA-N 1 0 414.554 2.337 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000731479496 1075371407 /nfs/dbraw/zinc/37/14/07/1075371407.db2.gz VPVVLOYCJOBGOA-AWEZNQCLSA-N 1 0 422.448 1.209 20 0 HDADRO Cc1ccc(N2C[C@@H](C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)CC2=O)cc1F ZINC000731480400 1075372390 /nfs/dbraw/zinc/37/23/90/1075372390.db2.gz FOXIISLROZPHKQ-INIZCTEOSA-N 1 0 418.513 1.546 20 0 HDADRO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)cn2)CCO1 ZINC000676090680 1075374495 /nfs/dbraw/zinc/37/44/95/1075374495.db2.gz ZASAVRDXXQJGKY-OAHLLOKOSA-N 1 0 421.461 1.142 20 0 HDADRO CCCC(=O)Nc1cccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000676090258 1075375612 /nfs/dbraw/zinc/37/56/12/1075375612.db2.gz VVNVNUNUBZPDKX-UHFFFAOYSA-N 1 0 400.483 1.438 20 0 HDADRO COCCOc1ncccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466713946 1075379514 /nfs/dbraw/zinc/37/95/14/1075379514.db2.gz SHBZGXCOTQQDBT-SJLPKXTDSA-N 1 0 412.490 1.825 20 0 HDADRO Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676100144 1075382071 /nfs/dbraw/zinc/38/20/71/1075382071.db2.gz MCWFRJNPKLHMEP-UHFFFAOYSA-N 1 0 416.551 1.884 20 0 HDADRO C[N@H+](CCNC(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000804091085 1075385287 /nfs/dbraw/zinc/38/52/87/1075385287.db2.gz WFFAGJHNJUYASF-HOTGVXAUSA-N 1 0 410.559 1.929 20 0 HDADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000676110884 1075385758 /nfs/dbraw/zinc/38/57/58/1075385758.db2.gz GNDPLXWENBNXJE-FQEVSTJZSA-N 1 0 416.522 1.617 20 0 HDADRO CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCC[N@H+](C[C@@H]3CCCO3)CC1)C2=O ZINC000676113482 1075386613 /nfs/dbraw/zinc/38/66/13/1075386613.db2.gz SFTJFGWEROMSIA-JTSKRJEESA-N 1 0 420.554 1.591 20 0 HDADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804091495 1075389100 /nfs/dbraw/zinc/38/91/00/1075389100.db2.gz NRPCYAMYRVCFLT-IRXDYDNUSA-N 1 0 410.559 1.883 20 0 HDADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804091460 1075389144 /nfs/dbraw/zinc/38/91/44/1075389144.db2.gz NLLSUKBHNLFEDI-HZPDHXFCSA-N 1 0 410.559 1.881 20 0 HDADRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=CC[N@H+](C)CC1 ZINC000804093107 1075393763 /nfs/dbraw/zinc/39/37/63/1075393763.db2.gz XFCWSSIDKVPZRO-BHYGNILZSA-N 1 0 408.543 1.705 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)N(CC[NH+](C)C)C3CCCC3)n2)cc1 ZINC000429807612 1075394109 /nfs/dbraw/zinc/39/41/09/1075394109.db2.gz VJERJRAKOMTSCF-UHFFFAOYSA-N 1 0 413.522 2.211 20 0 HDADRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccccc2COc2cccc(C=O)c2)CC1 ZINC000731608140 1075397963 /nfs/dbraw/zinc/39/79/63/1075397963.db2.gz MJQOLDNFRMZSCB-UHFFFAOYSA-N 1 0 409.486 1.924 20 0 HDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)C2)CC1 ZINC000676147479 1075398553 /nfs/dbraw/zinc/39/85/53/1075398553.db2.gz HLZYGIDFROQEPA-AOMKIAJQSA-N 1 0 419.570 1.162 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]3CCCC3)n2)cc1 ZINC000426687468 1075401507 /nfs/dbraw/zinc/40/15/07/1075401507.db2.gz KPVVOJJYBHHYID-IBGZPJMESA-N 1 0 413.522 2.115 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)n2)cc1 ZINC000426934360 1075403752 /nfs/dbraw/zinc/40/37/52/1075403752.db2.gz PWWOHGFFHRJDQC-HNNXBMFYSA-N 1 0 401.511 1.971 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)NCCN3CC[N@H+](C)C(C)(C)C3)n2)cc1 ZINC000441749351 1075410056 /nfs/dbraw/zinc/41/00/56/1075410056.db2.gz KFENVAQFXWDIIX-UHFFFAOYSA-N 1 0 400.527 2.088 20 0 HDADRO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429398977 1075410071 /nfs/dbraw/zinc/41/00/71/1075410071.db2.gz BEVRULKFKDYLRG-CRAIPNDOSA-N 1 0 406.914 1.809 20 0 HDADRO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429398978 1075410249 /nfs/dbraw/zinc/41/02/49/1075410249.db2.gz BEVRULKFKDYLRG-MAUKXSAKSA-N 1 0 406.914 1.809 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000507679364 1075423336 /nfs/dbraw/zinc/42/33/36/1075423336.db2.gz SWMXGAYTMUERQI-HUUCEWRRSA-N 1 0 400.458 1.739 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000446749307 1075424098 /nfs/dbraw/zinc/42/40/98/1075424098.db2.gz ZOTACPOQQVVKBO-GOOCMWNKSA-N 1 0 400.458 1.785 20 0 HDADRO COC(=O)[C@H]1CC[N@H+](CC(=O)NCc2ccccc2CN2CCOCC2)[C@H]1C(C)C ZINC000429404869 1075428987 /nfs/dbraw/zinc/42/89/87/1075428987.db2.gz VKAFFOLHEXADLE-UNMCSNQZSA-N 1 0 417.550 1.655 20 0 HDADRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000676194015 1075430962 /nfs/dbraw/zinc/43/09/62/1075430962.db2.gz YPQYPWLFNFJWCM-UHFFFAOYSA-N 1 0 409.483 1.442 20 0 HDADRO CCc1c(NC(=O)NCCCC[NH+]2CCN(CCO)CC2)cnn1-c1ccccc1 ZINC000466718790 1075433355 /nfs/dbraw/zinc/43/33/55/1075433355.db2.gz PENOQZLJFOUGNB-UHFFFAOYSA-N 1 0 414.554 1.946 20 0 HDADRO NC(=O)c1csc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 ZINC000676200072 1075434012 /nfs/dbraw/zinc/43/40/12/1075434012.db2.gz YYBWTOCQTJOVPX-HNNXBMFYSA-N 1 0 402.524 1.232 20 0 HDADRO NC(=O)c1csc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 ZINC000676200073 1075434078 /nfs/dbraw/zinc/43/40/78/1075434078.db2.gz YYBWTOCQTJOVPX-OAHLLOKOSA-N 1 0 402.524 1.232 20 0 HDADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H](CCCO)c3ccccc3)CC2)CC1 ZINC000509389426 1075436290 /nfs/dbraw/zinc/43/62/90/1075436290.db2.gz RGPPDQYTMDSUOG-OAQYLSRUSA-N 1 0 416.566 1.102 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000731657188 1075440247 /nfs/dbraw/zinc/44/02/47/1075440247.db2.gz YQOKOOOEEZIUIT-QGZVFWFLSA-N 1 0 423.521 1.910 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H](C)[C@H]3CN(C)CCO3)cc2)CC1 ZINC000676243096 1075444132 /nfs/dbraw/zinc/44/41/32/1075444132.db2.gz IKHMWYKDJSYDNX-GHTZIAJQSA-N 1 0 403.571 1.342 20 0 HDADRO CC[C@@H](C)n1nc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)cc1C ZINC000551773505 1075444311 /nfs/dbraw/zinc/44/43/11/1075444311.db2.gz GAWUDBWNZKJRJO-RDTXWAMCSA-N 1 0 401.511 2.529 20 0 HDADRO CC1CCC(NS(=O)(=O)CC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000731687160 1075449899 /nfs/dbraw/zinc/44/98/99/1075449899.db2.gz FUBIOAJXYBUXPC-VJFUWPCTSA-N 1 0 401.573 1.244 20 0 HDADRO COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c(C)c1OC ZINC000510811039 1075453197 /nfs/dbraw/zinc/45/31/97/1075453197.db2.gz JQGDZIIJBKQNMH-CQSZACIVSA-N 1 0 403.483 1.586 20 0 HDADRO O=S(=O)(CC[NH2+]Cc1cc2ccccc2nc1N1CCOCC1)NCC1CCC1 ZINC000731678818 1075461328 /nfs/dbraw/zinc/46/13/28/1075461328.db2.gz MWKKAXTVYCNMHD-UHFFFAOYSA-N 1 0 418.563 1.881 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000731678680 1075461832 /nfs/dbraw/zinc/46/18/32/1075461832.db2.gz YGGZZMZQHGCHBT-UHFFFAOYSA-N 1 0 409.556 1.279 20 0 HDADRO C[C@@H](CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000731680740 1075464242 /nfs/dbraw/zinc/46/42/42/1075464242.db2.gz UUTGZJVPNWXDMY-KRWDZBQOSA-N 1 0 422.595 1.241 20 0 HDADRO O=C(NCCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccn[nH]1 ZINC000509395065 1075464396 /nfs/dbraw/zinc/46/43/96/1075464396.db2.gz UHHQUIAIIPBSNF-SFHVURJKSA-N 1 0 409.412 1.710 20 0 HDADRO COc1cccc(C=C2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)c1 ZINC000446805520 1075470275 /nfs/dbraw/zinc/47/02/75/1075470275.db2.gz FBLLDXPUYAJJCF-UHFFFAOYSA-N 1 0 411.506 2.098 20 0 HDADRO COCCCN(C)CC[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766171862 1075478782 /nfs/dbraw/zinc/47/87/82/1075478782.db2.gz BQYDYPANXRLUOF-OAHLLOKOSA-N 1 0 421.585 1.031 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@H]1CN(C)CCO1 ZINC000676278411 1075481328 /nfs/dbraw/zinc/48/13/28/1075481328.db2.gz HOERIPKGXNZCGO-CXAGYDPISA-N 1 0 412.918 1.054 20 0 HDADRO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000448481605 1075483379 /nfs/dbraw/zinc/48/33/79/1075483379.db2.gz OCEMVGPPBJFMFZ-HNNXBMFYSA-N 1 0 414.510 1.684 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CN(C)CCO1 ZINC000676281205 1075487207 /nfs/dbraw/zinc/48/72/07/1075487207.db2.gz VIZBUMHBQRNIJG-APWZRJJASA-N 1 0 420.579 1.052 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CN(C)CCO1 ZINC000676281207 1075487227 /nfs/dbraw/zinc/48/72/27/1075487227.db2.gz VIZBUMHBQRNIJG-LPHOPBHVSA-N 1 0 420.579 1.052 20 0 HDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccncc1OCC(F)(F)F ZINC000466725187 1075488590 /nfs/dbraw/zinc/48/85/90/1075488590.db2.gz QYPMMDXEZLKIQW-ZDUSSCGKSA-N 1 0 403.405 1.162 20 0 HDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000429419686 1075491002 /nfs/dbraw/zinc/49/10/02/1075491002.db2.gz ADMZJQDTNOAQNV-LLVKDONJSA-N 1 0 411.309 1.774 20 0 HDADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2nn(-c3ccccc3)cc2C)[NH+](C)C)c1 ZINC000592935142 1075492334 /nfs/dbraw/zinc/49/23/34/1075492334.db2.gz AVPADBIIIPREMI-HXUWFJFHSA-N 1 0 421.501 2.547 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@@H](N2CC[NH+](CC3CCOCC3)CC2)C1=O ZINC000466726995 1075504420 /nfs/dbraw/zinc/50/44/20/1075504420.db2.gz AQYWCFWBIULVJO-QGZVFWFLSA-N 1 0 407.536 1.684 20 0 HDADRO Cc1n[nH]cc1-c1nnc(NC(=O)NCc2ccncc2OCC[NH+](C)C)s1 ZINC000579759669 1075505486 /nfs/dbraw/zinc/50/54/86/1075505486.db2.gz LTWSJYYRGRTVGL-UHFFFAOYSA-N 1 0 402.484 1.894 20 0 HDADRO NS(=O)(=O)c1ccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000509405824 1075507242 /nfs/dbraw/zinc/50/72/42/1075507242.db2.gz SMEDTJDGBWCLJO-UHFFFAOYSA-N 1 0 401.554 1.360 20 0 HDADRO Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000522721168 1075508407 /nfs/dbraw/zinc/50/84/07/1075508407.db2.gz QCZQWHKDGJSPBE-UHFFFAOYSA-N 1 0 415.523 1.839 20 0 HDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000676336488 1075511374 /nfs/dbraw/zinc/51/13/74/1075511374.db2.gz RGQUAZIVGZRSHA-QWHCGFSZSA-N 1 0 407.458 1.830 20 0 HDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000731754703 1075511847 /nfs/dbraw/zinc/51/18/47/1075511847.db2.gz AHUBOKSWIZLKOA-GJZGRUSLSA-N 1 0 412.487 1.350 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000731757120 1075513056 /nfs/dbraw/zinc/51/30/56/1075513056.db2.gz QJFKSCPFWWQJHV-INIZCTEOSA-N 1 0 402.948 1.715 20 0 HDADRO Cn1nnc2c1nccc2C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000509405250 1075513293 /nfs/dbraw/zinc/51/32/93/1075513293.db2.gz ZONQRIYRCCFUSI-UHFFFAOYSA-N 1 0 408.466 1.831 20 0 HDADRO O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676340788 1075514001 /nfs/dbraw/zinc/51/40/01/1075514001.db2.gz HKUYYLHYSNZWJN-INIZCTEOSA-N 1 0 400.479 1.121 20 0 HDADRO COCCOc1cn(-c2ccccc2)nc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676343287 1075516722 /nfs/dbraw/zinc/51/67/22/1075516722.db2.gz OCQGAUCGBLGEBC-LJQANCHMSA-N 1 0 414.506 1.881 20 0 HDADRO CN(CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)c1ccc(Br)o1 ZINC000676343967 1075517042 /nfs/dbraw/zinc/51/70/42/1075517042.db2.gz DQUPOYZDHMYRPO-CYBMUJFWSA-N 1 0 414.300 1.484 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000676343483 1075517461 /nfs/dbraw/zinc/51/74/61/1075517461.db2.gz QYQXOQKUAAQYNV-ROUUACIJSA-N 1 0 415.490 1.389 20 0 HDADRO O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676345177 1075517848 /nfs/dbraw/zinc/51/78/48/1075517848.db2.gz LRHFYXUSZALGSM-GHTZIAJQSA-N 1 0 417.525 1.976 20 0 HDADRO CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NC1CC[NH+]([C@@H]3CCOC3)CC1)C2=O ZINC000676345119 1075517872 /nfs/dbraw/zinc/51/78/72/1075517872.db2.gz WMQHCFOUNNPIBG-IERDGZPVSA-N 1 0 406.527 1.247 20 0 HDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)Cn3nc(-c4ccccc4)oc3=O)CC2)CC1 ZINC000676369144 1075526699 /nfs/dbraw/zinc/52/66/99/1075526699.db2.gz BUNZMQKPJBNAJS-UHFFFAOYSA-N 1 0 413.522 1.520 20 0 HDADRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000731808577 1075527047 /nfs/dbraw/zinc/52/70/47/1075527047.db2.gz AUOSTYUCJLBEGU-IAGOWNOFSA-N 1 0 411.499 1.203 20 0 HDADRO C[NH+](C)[C@@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 ZINC000731847855 1075531771 /nfs/dbraw/zinc/53/17/71/1075531771.db2.gz MFYBSDOYTPWFGL-FEEIMYBTSA-N 1 0 417.535 1.260 20 0 HDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)CC1 ZINC000676370425 1075536444 /nfs/dbraw/zinc/53/64/44/1075536444.db2.gz GZRVCACQBCKHLT-SFHVURJKSA-N 1 0 410.474 1.831 20 0 HDADRO CCc1nc(CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)sc1C ZINC000426923999 1075536547 /nfs/dbraw/zinc/53/65/47/1075536547.db2.gz MYFDCQZVUUYIBB-UHFFFAOYSA-N 1 0 404.540 1.775 20 0 HDADRO CC1CC[NH+](CCCN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 ZINC000804143356 1075542844 /nfs/dbraw/zinc/54/28/44/1075542844.db2.gz ANABJGJRBHYSFW-FQEVSTJZSA-N 1 0 407.536 1.979 20 0 HDADRO CC[C@H](C)Oc1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccn1 ZINC000676406838 1075544940 /nfs/dbraw/zinc/54/49/40/1075544940.db2.gz ZGPZQJPQBUNIGG-HKUYNNGSSA-N 1 0 417.554 1.114 20 0 HDADRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)Nc2ccn(CC[NH+](C)C)n2)s1 ZINC000554466909 1075547907 /nfs/dbraw/zinc/54/79/07/1075547907.db2.gz VOYLTIOLFKLKQC-NEPJUHHUSA-N 1 0 408.532 1.643 20 0 HDADRO O=C1C[C@@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CN1CCN1CCOCC1 ZINC000676418736 1075549082 /nfs/dbraw/zinc/54/90/82/1075549082.db2.gz ODNQUAPSHHZLKD-CTNGQTDRSA-N 1 0 403.523 1.267 20 0 HDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000731873952 1075549448 /nfs/dbraw/zinc/54/94/48/1075549448.db2.gz XWTWMMIKMPHGQF-KKSFZXQISA-N 1 0 402.495 1.453 20 0 HDADRO CC(C)[N@@H+]1CCC[C@H](CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1 ZINC000804149545 1075551773 /nfs/dbraw/zinc/55/17/73/1075551773.db2.gz PPFNSQYUNHMZEV-MGPUTAFESA-N 1 0 407.536 1.978 20 0 HDADRO CSCc1cccc(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000427340026 1075553525 /nfs/dbraw/zinc/55/35/25/1075553525.db2.gz YNPWAKGHWLRVPZ-UHFFFAOYSA-N 1 0 401.536 2.268 20 0 HDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000429436028 1075555715 /nfs/dbraw/zinc/55/57/15/1075555715.db2.gz VKSMUVLQVPUQJF-LBPRGKRZSA-N 1 0 410.462 1.845 20 0 HDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000731885855 1075555814 /nfs/dbraw/zinc/55/58/14/1075555814.db2.gz YFIHLCWIXQHWGQ-UHFFFAOYSA-N 1 0 403.502 1.400 20 0 HDADRO C[C@@H](CC(=O)N1CC[NH+](C2CCCC2)CC1)NS(=O)(=O)c1cccnc1Cl ZINC000731895367 1075560191 /nfs/dbraw/zinc/56/01/91/1075560191.db2.gz PBILFTHVBALPEZ-AWEZNQCLSA-N 1 0 414.959 1.879 20 0 HDADRO C[C@H](CC(=O)NC1CC[NH+](C2CC2)CC1)NS(=O)(=O)c1cccnc1Cl ZINC000731894022 1075560279 /nfs/dbraw/zinc/56/02/79/1075560279.db2.gz YEBKBGLVSQADTB-GFCCVEGCSA-N 1 0 400.932 1.535 20 0 HDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000731900274 1075562531 /nfs/dbraw/zinc/56/25/31/1075562531.db2.gz MQOMBSHZXFZQGW-OAHLLOKOSA-N 1 0 409.918 1.509 20 0 HDADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](O)Cc2ccccc2)cc1 ZINC000509415778 1075562895 /nfs/dbraw/zinc/56/28/95/1075562895.db2.gz KIWVQADTSXPIRI-LJQANCHMSA-N 1 0 412.490 1.235 20 0 HDADRO COc1ccc(CNC(C)=O)cc1S(=O)(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466731353 1075563886 /nfs/dbraw/zinc/56/38/86/1075563886.db2.gz ZVIAGEJKGKQVTB-UHFFFAOYSA-N 1 0 419.547 1.914 20 0 HDADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3sc(Br)cc3C2)CC1=O ZINC000676478818 1075565989 /nfs/dbraw/zinc/56/59/89/1075565989.db2.gz MJKPMDDDQSSIRD-LBPRGKRZSA-N 1 0 400.342 1.805 20 0 HDADRO CCn1nc(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc1C1CC1 ZINC000469198440 1075568368 /nfs/dbraw/zinc/56/83/68/1075568368.db2.gz OOPRSZAKTHKYNF-UHFFFAOYSA-N 1 0 403.527 1.822 20 0 HDADRO CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000676497821 1075569499 /nfs/dbraw/zinc/56/94/99/1075569499.db2.gz JLZBPLIFZQWNBY-IBGZPJMESA-N 1 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CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)CCO2 ZINC000676521997 1075576614 /nfs/dbraw/zinc/57/66/14/1075576614.db2.gz DRMUZFYZISRSQH-TXPKVOOTSA-N 1 0 419.522 1.641 20 0 HDADRO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000676538240 1075579593 /nfs/dbraw/zinc/57/95/93/1075579593.db2.gz PCDRBFDXWXJLOH-AWEZNQCLSA-N 1 0 407.496 1.331 20 0 HDADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C1 ZINC000676541852 1075580693 /nfs/dbraw/zinc/58/06/93/1075580693.db2.gz UVRYXKYUKHTMGN-CQSZACIVSA-N 1 0 400.520 1.640 20 0 HDADRO CCn1nccc1N1CCC[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1=O ZINC000491345397 1075581575 /nfs/dbraw/zinc/58/15/75/1075581575.db2.gz HIROQZTTWXABEB-INIZCTEOSA-N 1 0 414.514 1.683 20 0 HDADRO CN(C(=O)C(=O)Nc1ccn(-c2ccccc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446852189 1075585312 /nfs/dbraw/zinc/58/53/12/1075585312.db2.gz MXEQWNQBOKLSIV-FQEVSTJZSA-N 1 0 403.486 2.544 20 0 HDADRO CN(C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446850191 1075586077 /nfs/dbraw/zinc/58/60/77/1075586077.db2.gz WOPZFRZQYFYGCC-OAHLLOKOSA-N 1 0 409.412 2.117 20 0 HDADRO Cc1cnn(-c2ccc(NC(=O)C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cc2F)c1 ZINC000429447360 1075588148 /nfs/dbraw/zinc/58/81/48/1075588148.db2.gz FJZKSYOXGWRBCU-HNNXBMFYSA-N 1 0 402.474 1.010 20 0 HDADRO Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)n(-c2ccccc2)n1 ZINC000676555906 1075588729 /nfs/dbraw/zinc/58/87/29/1075588729.db2.gz JNYNNRPLVYAEQX-MRXNPFEDSA-N 1 0 423.521 1.625 20 0 HDADRO C[NH+](C)CCCOc1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 ZINC000732030475 1075590951 /nfs/dbraw/zinc/59/09/51/1075590951.db2.gz HLGBWGUHYQUYIV-UHFFFAOYSA-N 1 0 404.492 1.453 20 0 HDADRO CCN1C[C@H](CN(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)Oc2ccccc21 ZINC000676546016 1075591561 /nfs/dbraw/zinc/59/15/61/1075591561.db2.gz CKQFFXSBTHQTEK-INIZCTEOSA-N 1 0 414.510 1.129 20 0 HDADRO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000676545556 1075592490 /nfs/dbraw/zinc/59/24/90/1075592490.db2.gz VZFNVRVCWYVAEB-LJQANCHMSA-N 1 0 404.474 1.656 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000676546628 1075593785 /nfs/dbraw/zinc/59/37/85/1075593785.db2.gz KJXOLFNLBUZXFH-HNNXBMFYSA-N 1 0 410.478 1.931 20 0 HDADRO C[C@@H](O)C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccccc1 ZINC000427550795 1075597087 /nfs/dbraw/zinc/59/70/87/1075597087.db2.gz UMHDPJGBNNJVQG-SJLPKXTDSA-N 1 0 413.522 1.759 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCn2c(C)nc3ccccc32)CC1 ZINC000509422744 1075597694 /nfs/dbraw/zinc/59/76/94/1075597694.db2.gz SYORRTYLWPTAPU-UHFFFAOYSA-N 1 0 414.554 1.930 20 0 HDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCOc3ncccc3C(F)(F)F)C2)CC1 ZINC000676568097 1075598315 /nfs/dbraw/zinc/59/83/15/1075598315.db2.gz BDRNTQHOMVSDRD-AWEZNQCLSA-N 1 0 415.460 1.947 20 0 HDADRO C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427254308 1075598785 /nfs/dbraw/zinc/59/87/85/1075598785.db2.gz YIXAEWMLMFEKSP-HNAYVOBHSA-N 1 0 411.506 1.939 20 0 HDADRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000446723746 1075605206 /nfs/dbraw/zinc/60/52/06/1075605206.db2.gz VYCNKOFSQDTNPA-OAHLLOKOSA-N 1 0 423.439 2.507 20 0 HDADRO Cn1cc([C@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c2ccc(F)cc2)cn1 ZINC000477596945 1075607178 /nfs/dbraw/zinc/60/71/78/1075607178.db2.gz CGTZGQKSSLYXFH-LJQANCHMSA-N 1 0 419.420 1.984 20 0 HDADRO CS(=O)(=O)CCc1ccc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000676596863 1075609370 /nfs/dbraw/zinc/60/93/70/1075609370.db2.gz GVAMYOOPMPJBBT-UHFFFAOYSA-N 1 0 424.567 1.373 20 0 HDADRO CN(CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)OC(C)(C)C ZINC000804179614 1075609603 /nfs/dbraw/zinc/60/96/03/1075609603.db2.gz JLALLRXXKMFPGD-QGZVFWFLSA-N 1 0 410.559 1.883 20 0 HDADRO CC[N@@H+]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000732095341 1075610151 /nfs/dbraw/zinc/61/01/51/1075610151.db2.gz FMFLOWHKTKIRIK-MRXNPFEDSA-N 1 0 421.519 1.178 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCCOc2ncccc2C(F)(F)F)CC1 ZINC000676605190 1075610830 /nfs/dbraw/zinc/61/08/30/1075610830.db2.gz XHTRNQHRMUEGTI-UHFFFAOYSA-N 1 0 403.449 1.804 20 0 HDADRO O=C(NCCC1CCN(CC(F)(F)F)CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000676594116 1075612872 /nfs/dbraw/zinc/61/28/72/1075612872.db2.gz KLAKLUMGBMXVNA-QGZVFWFLSA-N 1 0 418.504 1.854 20 0 HDADRO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC[N@@H+]1C ZINC000676594247 1075612906 /nfs/dbraw/zinc/61/29/06/1075612906.db2.gz XQWWNKGWZHJTSR-GOEBONIOSA-N 1 0 406.493 1.708 20 0 HDADRO CN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000676617059 1075617549 /nfs/dbraw/zinc/61/75/49/1075617549.db2.gz BUKZXTJVEZRPKQ-UHFFFAOYSA-N 1 0 408.453 1.514 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cnc(C3CC3)nc2N)CC1 ZINC000498929173 1075618873 /nfs/dbraw/zinc/61/88/73/1075618873.db2.gz KRRMYOUCTNVTQL-UHFFFAOYSA-N 1 0 402.543 1.637 20 0 HDADRO CN(CCNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C(=O)OC(C)(C)C ZINC000804181512 1075619864 /nfs/dbraw/zinc/61/98/64/1075619864.db2.gz KQAPGBUGIUKGCN-UHFFFAOYSA-N 1 0 418.538 1.185 20 0 HDADRO CN(CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000804181332 1075620256 /nfs/dbraw/zinc/62/02/56/1075620256.db2.gz HZXMKUJBWOYWDX-GOSISDBHSA-N 1 0 418.538 1.702 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000804181327 1075620299 /nfs/dbraw/zinc/62/02/99/1075620299.db2.gz HZTFDAQWDUPCSA-AEFFLSMTSA-N 1 0 418.538 1.749 20 0 HDADRO NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)sc1Br ZINC000732085614 1075620439 /nfs/dbraw/zinc/62/04/39/1075620439.db2.gz REMLYDUZXQUUIK-JTQLQIEISA-N 1 0 422.370 1.858 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000676664840 1075637040 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XSSNEADDSDBODC-OAHLLOKOSA-N 1 0 416.975 1.346 20 0 HDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@@H]4C)C3)CC2)cc1 ZINC000429458428 1075651144 /nfs/dbraw/zinc/65/11/44/1075651144.db2.gz YEFOUGYPGIKFIP-HQRMLTQVSA-N 1 0 400.523 1.922 20 0 HDADRO CN(CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732188504 1075654487 /nfs/dbraw/zinc/65/44/87/1075654487.db2.gz JWBWDQDNEYVGCZ-VGOFRKELSA-N 1 0 414.506 1.784 20 0 HDADRO COc1ccccc1NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000676724678 1075660803 /nfs/dbraw/zinc/66/08/03/1075660803.db2.gz FWAMGFWRRPLZML-SFHVURJKSA-N 1 0 415.538 1.445 20 0 HDADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000732222166 1075664439 /nfs/dbraw/zinc/66/44/39/1075664439.db2.gz QKCVMMXDWGORTQ-UHFFFAOYSA-N 1 0 405.476 1.783 20 0 HDADRO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 ZINC000732207253 1075665441 /nfs/dbraw/zinc/66/54/41/1075665441.db2.gz NYQCXLMBFOGBOX-HOTGVXAUSA-N 1 0 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ZINC000730388525 1076569629 /nfs/dbraw/zinc/56/96/29/1076569629.db2.gz DAGFHHPKVPHTRJ-KRWDZBQOSA-N 1 0 419.501 1.032 20 0 HDADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000730389543 1076570583 /nfs/dbraw/zinc/57/05/83/1076570583.db2.gz AECJRUKIKSKGKS-QGZVFWFLSA-N 1 0 404.511 1.855 20 0 HDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000730391997 1076572671 /nfs/dbraw/zinc/57/26/71/1076572671.db2.gz TXUOWIYHJMOIIT-HNNXBMFYSA-N 1 0 420.510 1.821 20 0 HDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000730391998 1076572818 /nfs/dbraw/zinc/57/28/18/1076572818.db2.gz TXUOWIYHJMOIIT-OAHLLOKOSA-N 1 0 420.510 1.821 20 0 HDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000730559306 1076594535 /nfs/dbraw/zinc/59/45/35/1076594535.db2.gz DBFMDHFJVBOVPP-INIZCTEOSA-N 1 0 415.506 1.925 20 0 HDADRO CC(=O)[C@@H]1CC(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)=NN1c1ccccc1 ZINC000730559727 1076595043 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C[C@H](NC(=O)COC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)C(=O)N(C)C ZINC000731256980 1076771503 /nfs/dbraw/zinc/77/15/03/1076771503.db2.gz PGNITWITZFZIIK-IRXDYDNUSA-N 1 0 419.522 1.690 20 0 HDADRO O=S(=O)(c1ccccc1C[NH2+][C@H](CO)Cc1ccc(F)cc1)N1CCOCC1 ZINC000480503632 1126094900 /nfs/dbraw/zinc/09/49/00/1126094900.db2.gz ZDHFCRNJPSAELZ-IBGZPJMESA-N 1 0 408.495 1.540 20 0 HDADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001164401717 718852822 /nfs/dbraw/zinc/85/28/22/718852822.db2.gz CUXYCGDNTRGARH-HQOQDVMHSA-N 1 0 424.908 1.011 20 0 HDADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CC[C@@H]3[NH2+]CC[C@@H]32)C1=O ZINC001164411043 718875590 /nfs/dbraw/zinc/87/55/90/718875590.db2.gz LSLBPOGRKXXOHX-CKFHNAJUSA-N 1 0 408.909 1.957 20 0 HDADRO c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ncnc3c1CCN(Cc1ccccc1)C3)C2 ZINC001164416529 718884878 /nfs/dbraw/zinc/88/48/78/718884878.db2.gz YRMQLHGCJXSZPG-UHFFFAOYSA-N 1 0 416.533 1.725 20 0 HDADRO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416451 718884896 /nfs/dbraw/zinc/88/48/96/718884896.db2.gz WTFGIWKJSDDMFU-UHFFFAOYSA-N 1 0 424.887 1.966 20 0 HDADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CC[C@H]3C[C@@]3([NH3+])C2)C1=O ZINC001164417821 718896110 /nfs/dbraw/zinc/89/61/10/718896110.db2.gz AMEDVRZXQATZQE-GESALYCCSA-N 1 0 408.909 1.944 20 0 HDADRO c1ccc(CN2CCc3c(ncnc3N3CCCO[C@]4(C[NH2+]CCOC4)C3)C2)cc1 ZINC001164423813 718914280 /nfs/dbraw/zinc/91/42/80/718914280.db2.gz JOZUQOPANXGEGC-HSZRJFAPSA-N 1 0 409.534 1.620 20 0 HDADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164424092 718914645 /nfs/dbraw/zinc/91/46/45/718914645.db2.gz KWIFFXVSNDIAII-INIZCTEOSA-N 1 0 405.829 1.652 20 0 HDADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN([C@@H](F)Oc1ccc(Cl)nn1)C2 ZINC001164431886 718971876 /nfs/dbraw/zinc/97/18/76/718971876.db2.gz CJJUVWUMOSUECD-MGPQQGTHSA-N 1 0 412.771 1.779 20 0 HDADRO 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ZINC000673848660 1073814038 /nfs/dbraw/zinc/81/40/38/1073814038.db2.gz ZKQGWDPFHPYDQA-UHFFFAOYSA-N 1 0 401.467 1.067 20 0 HDADRO CC[C@H]([NH2+]CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@@H]1CCCO1 ZINC000543494947 1073831915 /nfs/dbraw/zinc/83/19/15/1073831915.db2.gz SLSLPNURWLYUSB-HKUYNNGSSA-N 1 0 409.552 1.763 20 0 HDADRO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000673868904 1073834190 /nfs/dbraw/zinc/83/41/90/1073834190.db2.gz JCTDHLPAAYNMMG-UHFFFAOYSA-N 1 0 408.528 1.195 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)NCC2(NS(C)(=O)=O)CCCCC2)CC1 ZINC000673876872 1073835014 /nfs/dbraw/zinc/83/50/14/1073835014.db2.gz YVBBZOSOTWQZCY-UHFFFAOYSA-N 1 0 418.604 1.427 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cn1 ZINC000673868986 1073835207 /nfs/dbraw/zinc/83/52/07/1073835207.db2.gz KPTACJAWIXYDSH-LJQANCHMSA-N 1 0 404.490 1.779 20 0 HDADRO CN(CC(=O)Nc1ccc(Br)cn1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673870161 1073835720 /nfs/dbraw/zinc/83/57/20/1073835720.db2.gz IYPAMDQNBNHZIY-UHFFFAOYSA-N 1 0 424.303 1.705 20 0 HDADRO CC[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1OCC(=O)NC ZINC000673871130 1073836717 /nfs/dbraw/zinc/83/67/17/1073836717.db2.gz WDSJWCMVTFLJTF-QGZVFWFLSA-N 1 0 402.499 1.842 20 0 HDADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000543494565 1073836745 /nfs/dbraw/zinc/83/67/45/1073836745.db2.gz MFGRLIAYCRZUPP-SUNYJGFJSA-N 1 0 424.567 1.314 20 0 HDADRO O=S(=O)(CCCN1CCOCC1)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000766039253 1073843021 /nfs/dbraw/zinc/84/30/21/1073843021.db2.gz RFJSGYKEIZFNTQ-UHFFFAOYSA-N 1 0 412.552 1.982 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000673878125 1073849749 /nfs/dbraw/zinc/84/97/49/1073849749.db2.gz DBFXATHCQSCRJK-SFHVURJKSA-N 1 0 417.554 1.553 20 0 HDADRO CC(C)c1ccc(CN2CCN(C(=O)CN3CC[NH+](C(C)(C)CO)CC3)CC2)cc1 ZINC000673895623 1073865626 /nfs/dbraw/zinc/86/56/26/1073865626.db2.gz KDXUQVXOZXXSQB-UHFFFAOYSA-N 1 0 416.610 1.843 20 0 HDADRO CC(C)(CO)[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000673895798 1073865769 /nfs/dbraw/zinc/86/57/69/1073865769.db2.gz PBLNQNSALBCPLI-LJQANCHMSA-N 1 0 417.550 1.900 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)C2=O)c1 ZINC000673911837 1073883643 /nfs/dbraw/zinc/88/36/43/1073883643.db2.gz GBMWIOCZQMPBNA-UZLBHIALSA-N 1 0 416.522 1.935 20 0 HDADRO COc1ccccc1C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(C)C ZINC000673912489 1073884870 /nfs/dbraw/zinc/88/48/70/1073884870.db2.gz JOEKYEMXSADAON-RTWAWAEBSA-N 1 0 418.582 1.968 20 0 HDADRO COc1cc(OC)cc(N2CC[C@@H](N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2=O)c1 ZINC000673914914 1073886319 /nfs/dbraw/zinc/88/63/19/1073886319.db2.gz GXTXTSDMYXWIQE-DYESRHJHSA-N 1 0 402.539 1.521 20 0 HDADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)C2=O)c1 ZINC000673914055 1073890465 /nfs/dbraw/zinc/89/04/65/1073890465.db2.gz PBFQFSXGMNYRKY-DNVCBOLYSA-N 1 0 404.511 1.981 20 0 HDADRO CNC(=O)N[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000466556979 1073897344 /nfs/dbraw/zinc/89/73/44/1073897344.db2.gz SQFBZLNVJBSAAX-GPMSIDNRSA-N 1 0 403.527 1.509 20 0 HDADRO CCCCN(C(=O)C[NH2+][C@@H](C)c1cnn(C)c1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000543505166 1073900714 /nfs/dbraw/zinc/90/07/14/1073900714.db2.gz QEKSCEAYPCYXCB-ZDUSSCGKSA-N 1 0 405.503 1.159 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1=O ZINC000673929907 1073901250 /nfs/dbraw/zinc/90/12/50/1073901250.db2.gz PJCYYKOQWGKRPO-YCRPNKLZSA-N 1 0 411.462 1.658 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cc3c(cc2Br)OCO3)C1=O ZINC000673929988 1073902937 /nfs/dbraw/zinc/90/29/37/1073902937.db2.gz DONHCNJMCIRZIY-DIFFPNOSSA-N 1 0 410.268 1.988 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1=O ZINC000673930103 1073903041 /nfs/dbraw/zinc/90/30/41/1073903041.db2.gz FLLLWMXNXXHPAQ-GTNSWQLSSA-N 1 0 410.268 1.988 20 0 HDADRO CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001128561272 1073905706 /nfs/dbraw/zinc/90/57/06/1073905706.db2.gz UVUNYXSZPQTABA-KDURUIRLSA-N 1 0 414.550 1.386 20 0 HDADRO CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000030380537 1073928851 /nfs/dbraw/zinc/92/88/51/1073928851.db2.gz SWFLQXIWRBJOQP-IBGZPJMESA-N 1 0 423.579 1.803 20 0 HDADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)N2CCO[C@H](C)C2)CC1 ZINC000670433091 1073930375 /nfs/dbraw/zinc/93/03/75/1073930375.db2.gz PWLHZJBHHOWDJB-CVEARBPZSA-N 1 0 406.502 1.392 20 0 HDADRO C[C@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000057981728 1073940737 /nfs/dbraw/zinc/94/07/37/1073940737.db2.gz USMVVRDWTRNCAV-ROUUACIJSA-N 1 0 423.517 1.983 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000509183040 1073959751 /nfs/dbraw/zinc/95/97/51/1073959751.db2.gz JJSWDTCQMMVNKN-MRXNPFEDSA-N 1 0 414.506 1.157 20 0 HDADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000509183756 1073972236 /nfs/dbraw/zinc/97/22/36/1073972236.db2.gz LKOCIRKWWDZQTC-OAHLLOKOSA-N 1 0 401.554 1.073 20 0 HDADRO CCc1cc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2)ncn1 ZINC000673980608 1073972796 /nfs/dbraw/zinc/97/27/96/1073972796.db2.gz SNGKQFIFFBFMGX-IBGZPJMESA-N 1 0 415.586 1.476 20 0 HDADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC3(C[NH+](C)C)CCC3)CC2)c1 ZINC000466572748 1073990799 /nfs/dbraw/zinc/99/07/99/1073990799.db2.gz ADBPMQVFLNVIIM-UHFFFAOYSA-N 1 0 408.568 1.047 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000509189617 1074004817 /nfs/dbraw/zinc/00/48/17/1074004817.db2.gz GELCKTJITVXPDU-KDOFPFPSSA-N 1 0 415.581 1.478 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 ZINC000543530953 1074023274 /nfs/dbraw/zinc/02/32/74/1074023274.db2.gz XIDMCBWQFQISMO-AWEZNQCLSA-N 1 0 400.483 1.065 20 0 HDADRO CCOC(=O)[C@]1(C)CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC001649122449 1074035562 /nfs/dbraw/zinc/03/55/62/1074035562.db2.gz PLTWYUJRBGKDBY-KUHUBIRLSA-N 1 0 401.504 1.012 20 0 HDADRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000543535676 1074039019 /nfs/dbraw/zinc/03/90/19/1074039019.db2.gz ALIGAEXXHLFSMN-ROUUACIJSA-N 1 0 417.554 1.916 20 0 HDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCC2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000509193882 1074040033 /nfs/dbraw/zinc/04/00/33/1074040033.db2.gz FSWPHXCUJFYUBU-SJLPKXTDSA-N 1 0 403.589 1.638 20 0 HDADRO CCOC(=O)[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CCO1 ZINC001649123437 1074048149 /nfs/dbraw/zinc/04/81/49/1074048149.db2.gz VZUYMLNBAMUBDT-AJSBUHFISA-N 1 0 416.518 1.706 20 0 HDADRO CNC(=O)N[C@H]1CCN(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000466594054 1074049162 /nfs/dbraw/zinc/04/91/62/1074049162.db2.gz WPNLUMKVDHYFCM-RBUKOAKNSA-N 1 0 402.543 1.078 20 0 HDADRO O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000429196406 1074051878 /nfs/dbraw/zinc/05/18/78/1074051878.db2.gz GHFVNIPEMLVYBW-PZJWPPBQSA-N 1 0 424.549 1.628 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN[C@@H](C)c2noc(Cc3ccccc3)n2)C1 ZINC000543544916 1074060219 /nfs/dbraw/zinc/06/02/19/1074060219.db2.gz LVVWPOQWVZGUGA-PKOBYXMFSA-N 1 0 415.538 1.784 20 0 HDADRO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000766053810 1074067868 /nfs/dbraw/zinc/06/78/68/1074067868.db2.gz IYZOYVIIOQLIND-BZQUYTCOSA-N 1 0 402.582 1.905 20 0 HDADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C1 ZINC000058882871 1074072480 /nfs/dbraw/zinc/07/24/80/1074072480.db2.gz SHANGQDWEUVOOG-JKIFEVAISA-N 1 0 411.506 1.897 20 0 HDADRO C[C@H]([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)[C@H]1COc2ccccc21 ZINC000543555489 1074082527 /nfs/dbraw/zinc/08/25/27/1074082527.db2.gz TYVHXJLTFZZQJF-LSTDLKDCSA-N 1 0 422.547 1.335 20 0 HDADRO 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CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC1 ZINC000674036741 1074114173 /nfs/dbraw/zinc/11/41/73/1074114173.db2.gz PALKTYWQTBGOQV-UHFFFAOYSA-N 1 0 418.604 1.079 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)Cc1ccccc1 ZINC000543562015 1074119223 /nfs/dbraw/zinc/11/92/23/1074119223.db2.gz AYXGNMYDFGZROK-IBGZPJMESA-N 1 0 423.517 1.439 20 0 HDADRO COC(=O)c1cccc(CCNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000509209711 1074123125 /nfs/dbraw/zinc/12/31/25/1074123125.db2.gz HWAKBPRFSBPEOL-UHFFFAOYSA-N 1 0 402.539 1.874 20 0 HDADRO C[N@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)Cc1ccc(F)cc1 ZINC000674041955 1074124227 /nfs/dbraw/zinc/12/42/27/1074124227.db2.gz JRBGNLVXVOEFIO-UHFFFAOYSA-N 1 0 400.410 1.343 20 0 HDADRO COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000466617843 1074126817 /nfs/dbraw/zinc/12/68/17/1074126817.db2.gz JUXYQRYRQMGFOO-QXAKKESOSA-N 1 0 412.538 1.949 20 0 HDADRO 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ZINC000674097981 1074181796 /nfs/dbraw/zinc/18/17/96/1074181796.db2.gz SNMPTISZPYVNFV-UHFFFAOYSA-N 1 0 417.531 1.529 20 0 HDADRO C[C@@H](Sc1nc(CC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cs1)C(N)=O ZINC001128613441 1074184496 /nfs/dbraw/zinc/18/44/96/1074184496.db2.gz CGLYBQTUSKFFBT-QWHCGFSZSA-N 1 0 412.581 1.363 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000674135778 1074193217 /nfs/dbraw/zinc/19/32/17/1074193217.db2.gz FJIOZMGCCKJLPT-UZLBHIALSA-N 1 0 417.531 1.740 20 0 HDADRO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000674157508 1074195125 /nfs/dbraw/zinc/19/51/25/1074195125.db2.gz FVWIUOOSQFXQRW-OALUTQOASA-N 1 0 408.568 1.937 20 0 HDADRO CC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1nnc2n1CCCCC2 ZINC000674158201 1074195655 /nfs/dbraw/zinc/19/56/55/1074195655.db2.gz KPSAUEGRXAYPJT-SJLPKXTDSA-N 1 0 403.575 1.923 20 0 HDADRO C[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001128656039 1074200009 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HDADRO O=C(C[NH+]1CCC(c2c[nH]cn2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000674371989 1074299859 /nfs/dbraw/zinc/29/98/59/1074299859.db2.gz WECQRCSPQACBBM-UHFFFAOYSA-N 1 0 417.535 1.122 20 0 HDADRO Cn1cc(Br)cc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1=O ZINC000674384680 1074306895 /nfs/dbraw/zinc/30/68/95/1074306895.db2.gz ISNBBIPBCUNWDL-UHFFFAOYSA-N 1 0 400.321 1.295 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1=O ZINC000674426592 1074329980 /nfs/dbraw/zinc/32/99/80/1074329980.db2.gz ORLAYUXGEAQZRY-IERDGZPVSA-N 1 0 417.510 1.147 20 0 HDADRO CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[NH+]1CCC(C)CC1 ZINC000674427995 1074330679 /nfs/dbraw/zinc/33/06/79/1074330679.db2.gz VMOVQOLYUPHLAS-LZJOCLMNSA-N 1 0 407.559 1.763 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCN1CCCS1(=O)=O ZINC000674438360 1074334792 /nfs/dbraw/zinc/33/47/92/1074334792.db2.gz BLQYOKJNVLBLOZ-PKOBYXMFSA-N 1 0 408.568 1.574 20 0 HDADRO C[C@H](CNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[N@H+](C)Cc1ccccc1 ZINC000674432029 1074342650 /nfs/dbraw/zinc/34/26/50/1074342650.db2.gz GEQWKDKXGNHVPG-CEQIKUNHSA-N 1 0 401.511 1.527 20 0 HDADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2C[C@@]23c2ccccc2NC3=O)CC1 ZINC001128726710 1074342961 /nfs/dbraw/zinc/34/29/61/1074342961.db2.gz IKIPTEQMOMALAD-PGRDOPGGSA-N 1 0 401.507 1.482 20 0 HDADRO COC[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000674478213 1074374961 /nfs/dbraw/zinc/37/49/61/1074374961.db2.gz LKOUAZMEMNSQQW-FQEVSTJZSA-N 1 0 400.523 1.795 20 0 HDADRO C[C@@H]1CN(C[C@H](O)C[N@H+](CCO)Cc2ccc(Br)s2)C[C@H](C)O1 ZINC000485131378 1074392141 /nfs/dbraw/zinc/39/21/41/1074392141.db2.gz JDXOORJKWACBKF-HZSPNIEDSA-N 1 0 407.374 1.775 20 0 HDADRO CCN(C(=O)C[N@@H+]1CCC[C@H]1COC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000674500192 1074392766 /nfs/dbraw/zinc/39/27/66/1074392766.db2.gz QZDLWEZYGOWJPZ-INIZCTEOSA-N 1 0 415.494 1.043 20 0 HDADRO 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CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+](C)C2(CO)CCC2)c1 ZINC000429232279 1074422685 /nfs/dbraw/zinc/42/26/85/1074422685.db2.gz ATYPUQWUCZRMAR-UHFFFAOYSA-N 1 0 403.932 1.766 20 0 HDADRO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674550609 1074434307 /nfs/dbraw/zinc/43/43/07/1074434307.db2.gz KPDYOPGUYWBFCA-KFKAGJAMSA-N 1 0 409.552 1.098 20 0 HDADRO C[C@@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674551558 1074434999 /nfs/dbraw/zinc/43/49/99/1074434999.db2.gz BOFPQNFBMKRTOH-QGZVFWFLSA-N 1 0 410.584 1.184 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1=O ZINC000674566141 1074442717 /nfs/dbraw/zinc/44/27/17/1074442717.db2.gz XGHRSQODNSUCEK-YCRPNKLZSA-N 1 0 417.510 1.859 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1=O ZINC000674583188 1074448520 /nfs/dbraw/zinc/44/85/20/1074448520.db2.gz JPLKPXQSAWFEET-HOIFWPIMSA-N 1 0 416.497 1.874 20 0 HDADRO C[C@H](NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000674572948 1074450270 /nfs/dbraw/zinc/45/02/70/1074450270.db2.gz DQYLLOPDJLKIMN-NSHDSACASA-N 1 0 422.473 1.908 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000674583908 1074464604 /nfs/dbraw/zinc/46/46/04/1074464604.db2.gz NCVPCRWCTCYABJ-JTSKRJEESA-N 1 0 413.522 1.035 20 0 HDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000674588291 1074468385 /nfs/dbraw/zinc/46/83/85/1074468385.db2.gz BUWBPLTYLZXPSW-UHFFFAOYSA-N 1 0 402.476 1.608 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)CC[NH+]3CCN(c4cccc(C)c4)CC3)CCN2C1=O ZINC000674594638 1074473283 /nfs/dbraw/zinc/47/32/83/1074473283.db2.gz GGYHDBYHAUZXDM-LJQANCHMSA-N 1 0 413.522 1.002 20 0 HDADRO Cc1cc(C)cc(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000509230982 1074473321 /nfs/dbraw/zinc/47/33/21/1074473321.db2.gz DADMLPYXMPYHDV-RTWAWAEBSA-N 1 0 401.551 1.846 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC000674608348 1074477413 /nfs/dbraw/zinc/47/74/13/1074477413.db2.gz DXUDCGOKROMUDI-HRAATJIYSA-N 1 0 421.542 1.041 20 0 HDADRO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000674623878 1074483375 /nfs/dbraw/zinc/48/33/75/1074483375.db2.gz NNXHQDYUQUSNSS-LAUBAEHRSA-N 1 0 401.511 1.658 20 0 HDADRO COc1cccc([C@@H](CNC(=O)N(C)CCN2CCCS2(=O)=O)[NH+]2CCCC2)c1 ZINC000674616542 1074486326 /nfs/dbraw/zinc/48/63/26/1074486326.db2.gz UKVIQQKTACCZOY-LJQANCHMSA-N 1 0 424.567 1.509 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1=O ZINC000674617482 1074487126 /nfs/dbraw/zinc/48/71/26/1074487126.db2.gz ZBPFZYUEVGSWMT-SIFCLUCFSA-N 1 0 419.551 1.905 20 0 HDADRO O=C(NCc1c(F)c(F)cc(F)c1F)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674631057 1074495115 /nfs/dbraw/zinc/49/51/15/1074495115.db2.gz LBWMAYQFJYRPBE-GFCCVEGCSA-N 1 0 404.408 1.449 20 0 HDADRO CC[C@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)Oc1cccc(C)c1 ZINC000674632117 1074495921 /nfs/dbraw/zinc/49/59/21/1074495921.db2.gz ZJCWTVIBRNOZQE-VQTJNVASSA-N 1 0 404.555 1.858 20 0 HDADRO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Oc1cccc(C)c1 ZINC000674632118 1074496153 /nfs/dbraw/zinc/49/61/53/1074496153.db2.gz ZJCWTVIBRNOZQE-WOJBJXKFSA-N 1 0 404.555 1.858 20 0 HDADRO CC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C(=O)N1CCOCC1 ZINC000674647830 1074496581 /nfs/dbraw/zinc/49/65/81/1074496581.db2.gz YHUCSBAJAHKNAC-HXUWFJFHSA-N 1 0 402.539 1.850 20 0 HDADRO CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CC[N@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC001033905256 1074498895 /nfs/dbraw/zinc/49/88/95/1074498895.db2.gz YCGROCFVSWSEBB-FWCYYJLNSA-N 1 0 402.543 1.317 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1=O ZINC000674639148 1074499316 /nfs/dbraw/zinc/49/93/16/1074499316.db2.gz PCFKLFUSOSQXAJ-HRAATJIYSA-N 1 0 419.501 1.619 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1=O ZINC000674640344 1074499547 /nfs/dbraw/zinc/49/95/47/1074499547.db2.gz DYSOJCVVFPNKMF-DYESRHJHSA-N 1 0 401.511 1.480 20 0 HDADRO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000674654777 1074507948 /nfs/dbraw/zinc/50/79/48/1074507948.db2.gz KPBPEMBKHYWBKH-UHFFFAOYSA-N 1 0 422.507 1.382 20 0 HDADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCS(=O)(=O)C4(CCCCC4)C3)C2)CC1 ZINC000674699956 1074528032 /nfs/dbraw/zinc/52/80/32/1074528032.db2.gz WWNFEKFYCYNPHJ-QGZVFWFLSA-N 1 0 412.600 1.298 20 0 HDADRO Cc1cccc(NC(=O)CN(C)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1C ZINC000674700097 1074528177 /nfs/dbraw/zinc/52/81/77/1074528177.db2.gz SHGWDONVGLFKCZ-LJQANCHMSA-N 1 0 417.554 1.290 20 0 HDADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CO)CC1 ZINC000674714335 1074532948 /nfs/dbraw/zinc/53/29/48/1074532948.db2.gz SNLCXTIHCOFQLI-IBGZPJMESA-N 1 0 402.539 1.233 20 0 HDADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000674719966 1074539407 /nfs/dbraw/zinc/53/94/07/1074539407.db2.gz OGGODHPPPKRFOE-UHFFFAOYSA-N 1 0 403.570 1.433 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N(CCCO)[C@H]1CCc2ccccc21 ZINC000674724990 1074541197 /nfs/dbraw/zinc/54/11/97/1074541197.db2.gz PYZCCIRGMRDFDL-UNMCSNQZSA-N 1 0 416.566 1.474 20 0 HDADRO Cc1cnc([C@@H](C)NC(=O)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)s1 ZINC000674772940 1074551890 /nfs/dbraw/zinc/55/18/90/1074551890.db2.gz DLDMDRJEMFCESM-CQSZACIVSA-N 1 0 423.583 1.372 20 0 HDADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2CCCCN2C(=O)CC(C)C)CC1 ZINC001128822042 1074556461 /nfs/dbraw/zinc/55/64/61/1074556461.db2.gz DNTKEFGFQWJZIS-HXUWFJFHSA-N 1 0 411.587 1.999 20 0 HDADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)CC1 ZINC001128822190 1074557451 /nfs/dbraw/zinc/55/74/51/1074557451.db2.gz GCCNKGATPQXVEM-QHCPKHFHSA-N 1 0 417.550 1.420 20 0 HDADRO C[C@@H]1CN(c2ccc(NC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cc2)CCO1 ZINC000766068459 1074561408 /nfs/dbraw/zinc/56/14/08/1074561408.db2.gz CBMQPLLTSKGBEI-YLJYHZDGSA-N 1 0 415.538 1.682 20 0 HDADRO C[C@H]1CN(c2ccc(NC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cc2)CCO1 ZINC000766068438 1074561507 /nfs/dbraw/zinc/56/15/07/1074561507.db2.gz CBMQPLLTSKGBEI-FXAWDEMLSA-N 1 0 415.538 1.682 20 0 HDADRO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000674800615 1074574197 /nfs/dbraw/zinc/57/41/97/1074574197.db2.gz KYIWWFMPYMPXKJ-FUHWJXTLSA-N 1 0 411.543 1.474 20 0 HDADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000674808869 1074575241 /nfs/dbraw/zinc/57/52/41/1074575241.db2.gz KYIYUBAQZQOOBX-DLBZAZTESA-N 1 0 419.551 1.210 20 0 HDADRO CC(C)(C)OC(=O)N1CC(OCC(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001168753427 1074579757 /nfs/dbraw/zinc/57/97/57/1074579757.db2.gz UHMKYFXCGLUFEW-KRWDZBQOSA-N 1 0 407.486 1.805 20 0 HDADRO CN(c1ncc(I)cn1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000766076430 1074583588 /nfs/dbraw/zinc/58/35/88/1074583588.db2.gz HKLGBINTHTYSDD-CQSZACIVSA-N 1 0 401.296 1.686 20 0 HDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC(C)(C)c3cn(-c4ccccc4)nn3)C2)CC1 ZINC000674872440 1074593074 /nfs/dbraw/zinc/59/30/74/1074593074.db2.gz OWFWBALDOQRQLG-QGZVFWFLSA-N 1 0 411.554 1.970 20 0 HDADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001128872224 1074605517 /nfs/dbraw/zinc/60/55/17/1074605517.db2.gz KTGYCEXUPGTBHT-INIZCTEOSA-N 1 0 413.515 1.403 20 0 HDADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC001128873018 1074606171 /nfs/dbraw/zinc/60/61/71/1074606171.db2.gz XYGZTKGAUXKFBY-KRWDZBQOSA-N 1 0 412.556 1.635 20 0 HDADRO O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000674892299 1074609155 /nfs/dbraw/zinc/60/91/55/1074609155.db2.gz CADBTXGCVDLXDJ-KRWDZBQOSA-N 1 0 401.417 1.997 20 0 HDADRO CN1CC[N@H+](CCCNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)[C@@H](c2ccccc2)C1 ZINC000674916362 1074614025 /nfs/dbraw/zinc/61/40/25/1074614025.db2.gz BWRQYYDVNPGMMO-VSKRKVRLSA-N 1 0 416.566 1.955 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000674917453 1074614736 /nfs/dbraw/zinc/61/47/36/1074614736.db2.gz JTQZAWZDSLLPTD-FCHUYYIVSA-N 1 0 416.566 1.914 20 0 HDADRO CCC(=O)N1CCC([NH2+]Cc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CC1 ZINC000674909597 1074615165 /nfs/dbraw/zinc/61/51/65/1074615165.db2.gz PQLGSINLUOMZJD-IBGZPJMESA-N 1 0 403.523 1.851 20 0 HDADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000674917872 1074619968 /nfs/dbraw/zinc/61/99/68/1074619968.db2.gz OAFFXMLSEJCPNZ-LEWJYISDSA-N 1 0 402.539 1.394 20 0 HDADRO O=C(c1cn(CCO)nc1C1CCOCC1)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001168753867 1074621126 /nfs/dbraw/zinc/62/11/26/1074621126.db2.gz WNGYRTIHZRDEJE-LJQANCHMSA-N 1 0 416.497 1.565 20 0 HDADRO Cc1cc(F)c(Br)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000556181281 1074665081 /nfs/dbraw/zinc/66/50/81/1074665081.db2.gz IJVLGOITYMHKOC-UHFFFAOYSA-N 1 0 412.263 2.232 20 0 HDADRO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000429308949 1074668496 /nfs/dbraw/zinc/66/84/96/1074668496.db2.gz MDEWUKNKJZLXSM-JENIJYKNSA-N 1 0 418.538 1.606 20 0 HDADRO CC(C)c1cc(NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc(N(C)C)[nH+]1 ZINC000462090191 1074671332 /nfs/dbraw/zinc/67/13/32/1074671332.db2.gz CYFICOKMBALBHQ-UHFFFAOYSA-N 1 0 419.551 2.299 20 0 HDADRO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000429310274 1074671719 /nfs/dbraw/zinc/67/17/19/1074671719.db2.gz PAYBJCSHVCJSLO-LEWJYISDSA-N 1 0 416.566 1.612 20 0 HDADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000675002776 1074682621 /nfs/dbraw/zinc/68/26/21/1074682621.db2.gz OSZRXAOAAMSFQQ-UXHICEINSA-N 1 0 401.507 1.670 20 0 HDADRO COc1ccccc1N1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1=O ZINC000675002932 1074684392 /nfs/dbraw/zinc/68/43/92/1074684392.db2.gz ULJMPSLDJWYPIA-JZXOWHBKSA-N 1 0 402.495 1.041 20 0 HDADRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446799903 1074687027 /nfs/dbraw/zinc/68/70/27/1074687027.db2.gz ALGBDHJROSHKEC-UHFFFAOYSA-N 1 0 423.521 2.009 20 0 HDADRO CC[NH+](CC)CCOCCNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000543610793 1074689156 /nfs/dbraw/zinc/68/91/56/1074689156.db2.gz SUAYMLFTCMIFON-UHFFFAOYSA-N 1 0 400.479 1.098 20 0 HDADRO CCn1c(CNC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)nc2ccccc21 ZINC000785476054 1074689368 /nfs/dbraw/zinc/68/93/68/1074689368.db2.gz YSJPABPRLYWVLR-UHFFFAOYSA-N 1 0 415.538 1.632 20 0 HDADRO CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)s1 ZINC000428331582 1074692540 /nfs/dbraw/zinc/69/25/40/1074692540.db2.gz FYRYXOPVUDWGSB-UHFFFAOYSA-N 1 0 405.528 2.482 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)nn1[C@@H](C)C1CC1 ZINC000542297685 1074698059 /nfs/dbraw/zinc/69/80/59/1074698059.db2.gz GNPIWYMWAZSFMJ-INIZCTEOSA-N 1 0 403.527 1.672 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H](c3ccccc3)[NH+](CC)CC)CCN2C1=O ZINC000675084356 1074700357 /nfs/dbraw/zinc/70/03/57/1074700357.db2.gz UVYAWUDVOXZLSD-ZWKOTPCHSA-N 1 0 401.511 1.747 20 0 HDADRO Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000675087146 1074705174 /nfs/dbraw/zinc/70/51/74/1074705174.db2.gz XZUFZGFGKCODLN-LJQANCHMSA-N 1 0 405.543 1.398 20 0 HDADRO C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CCSC1 ZINC000429314700 1074708004 /nfs/dbraw/zinc/70/80/04/1074708004.db2.gz IKWXAANKTFIEND-RXVVDRJESA-N 1 0 404.580 1.957 20 0 HDADRO O=C(C[NH2+][C@@H]1Cc2cccc(O)c2C1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000429317774 1074712972 /nfs/dbraw/zinc/71/29/72/1074712972.db2.gz PGGCYCXASQROTO-SJLPKXTDSA-N 1 0 406.548 1.797 20 0 HDADRO CN1CCN(C(=O)c2cc(NC(=O)NCc3ccc(C[NH+](C)C)cc3)ccn2)CC1 ZINC000543614112 1074715145 /nfs/dbraw/zinc/71/51/45/1074715145.db2.gz JQPSUYHCNDWSCK-UHFFFAOYSA-N 1 0 410.522 1.853 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000675093190 1074717150 /nfs/dbraw/zinc/71/71/50/1074717150.db2.gz BOKLAZSZBSBZBZ-IBGZPJMESA-N 1 0 413.522 1.577 20 0 HDADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444508105 1074717674 /nfs/dbraw/zinc/71/76/74/1074717674.db2.gz RIFXMRQZCJFZTM-UHFFFAOYSA-N 1 0 405.449 2.115 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)CCN2C1=O ZINC000675102153 1074719075 /nfs/dbraw/zinc/71/90/75/1074719075.db2.gz PQABKHJYTDITAZ-DOTOQJQBSA-N 1 0 401.511 1.794 20 0 HDADRO CC(C)n1ccc(NC(=O)C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)n1 ZINC000555313086 1074720468 /nfs/dbraw/zinc/72/04/68/1074720468.db2.gz OXSHKQHARLVKNQ-UHFFFAOYSA-N 1 0 410.522 2.573 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)CCN2C1=O ZINC000675105509 1074721054 /nfs/dbraw/zinc/72/10/54/1074721054.db2.gz OWDCDMSNNHYAJS-HLLBOEOZSA-N 1 0 419.551 1.809 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+](C)C)CCN2C1=O ZINC000675107551 1074722683 /nfs/dbraw/zinc/72/26/83/1074722683.db2.gz SXXFLJPICUZXLO-HOTGVXAUSA-N 1 0 407.902 1.621 20 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CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000477031475 1074731638 /nfs/dbraw/zinc/73/16/38/1074731638.db2.gz HQPJYLLDVAJLDZ-OAHLLOKOSA-N 1 0 408.930 1.471 20 0 HDADRO O=C(NCCCNc1ccc(C(F)(F)F)cn1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000590855233 1074732379 /nfs/dbraw/zinc/73/23/79/1074732379.db2.gz KZNGLMWYPGJZBO-HZPDHXFCSA-N 1 0 415.460 2.143 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000477032734 1074733537 /nfs/dbraw/zinc/73/35/37/1074733537.db2.gz KHVRIMILVPGIHJ-ROUUACIJSA-N 1 0 404.555 1.747 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000477032733 1074733571 /nfs/dbraw/zinc/73/35/71/1074733571.db2.gz KHVRIMILVPGIHJ-QZTJIDSGSA-N 1 0 404.555 1.747 20 0 HDADRO C[NH+](C)CCCN(C(=O)c1noc(-c2cccc(F)c2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000675143535 1074742863 /nfs/dbraw/zinc/74/28/63/1074742863.db2.gz ADVAYHDOKSMZQC-OAHLLOKOSA-N 1 0 410.471 1.457 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2ncnc3ccsc32)CC1 ZINC000477036809 1074745618 /nfs/dbraw/zinc/74/56/18/1074745618.db2.gz VKFKUZWMHPVZGC-AWEZNQCLSA-N 1 0 404.540 1.186 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000675164789 1074746381 /nfs/dbraw/zinc/74/63/81/1074746381.db2.gz JLRRRUQGRYTXCR-BRWVUGGUSA-N 1 0 406.531 1.515 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000675164791 1074746695 /nfs/dbraw/zinc/74/66/95/1074746695.db2.gz JLRRRUQGRYTXCR-YESZJQIVSA-N 1 0 406.531 1.515 20 0 HDADRO CC(C)(C)Oc1cccc(CCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)n1 ZINC000675155387 1074747369 /nfs/dbraw/zinc/74/73/69/1074747369.db2.gz OSIDCCJNGJAPHR-IBGZPJMESA-N 1 0 404.555 1.714 20 0 HDADRO CN(Cc1cc(Br)cn1C)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000675175701 1074749382 /nfs/dbraw/zinc/74/93/82/1074749382.db2.gz NQBDLLCBDZBEQW-UHFFFAOYSA-N 1 0 400.365 1.955 20 0 HDADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670495123 1074749927 /nfs/dbraw/zinc/74/99/27/1074749927.db2.gz YBAYCBPPCICAPM-UHFFFAOYSA-N 1 0 416.349 1.957 20 0 HDADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)C2=O)cc1 ZINC000675189509 1074752540 /nfs/dbraw/zinc/75/25/40/1074752540.db2.gz KGCLUGKPMRCFNJ-UFYCRDLUSA-N 1 0 412.534 1.155 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000675194082 1074753726 /nfs/dbraw/zinc/75/37/26/1074753726.db2.gz KEVKMODEUYKFFG-IRXDYDNUSA-N 1 0 404.511 1.485 20 0 HDADRO C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000766096820 1074753890 /nfs/dbraw/zinc/75/38/90/1074753890.db2.gz IFSJRTVCNLDYDM-RBSFLKMASA-N 1 0 414.959 1.735 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000675199824 1074755971 /nfs/dbraw/zinc/75/59/71/1074755971.db2.gz NUWVOMFZFDNXHL-QGZVFWFLSA-N 1 0 424.567 1.586 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccccc4)n3)CC2)C1 ZINC000675209567 1074758474 /nfs/dbraw/zinc/75/84/74/1074758474.db2.gz GAZMFLNIYOHVJY-IBGZPJMESA-N 1 0 410.522 1.108 20 0 HDADRO CN1CC[NH+](CCCCNC(=O)C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000670497154 1074764042 /nfs/dbraw/zinc/76/40/42/1074764042.db2.gz ZHHLSSLRHGUXKY-UHFFFAOYSA-N 1 0 415.365 1.796 20 0 HDADRO COC(=O)[C@@H](C)[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccccc1 ZINC000442135931 1074764714 /nfs/dbraw/zinc/76/47/14/1074764714.db2.gz YQDDZXBCCBEQOA-KSSFIOAISA-N 1 0 407.430 1.872 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC[C@@H]21 ZINC000766098460 1074764851 /nfs/dbraw/zinc/76/48/51/1074764851.db2.gz QZTICIXHHQPZLW-PBHICJAKSA-N 1 0 403.504 1.550 20 0 HDADRO CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000490503686 1074767586 /nfs/dbraw/zinc/76/75/86/1074767586.db2.gz UFXWTFADQHCKPN-OAHLLOKOSA-N 1 0 419.913 1.673 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000477061031 1074771250 /nfs/dbraw/zinc/77/12/50/1074771250.db2.gz FLZBAXHCKOQNJT-INIZCTEOSA-N 1 0 422.957 1.400 20 0 HDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nn1-c1ccc(F)cc1F ZINC000573244515 1074771545 /nfs/dbraw/zinc/77/15/45/1074771545.db2.gz JFLYTMDYRAXHAM-NVXWUHKLSA-N 1 0 403.433 2.140 20 0 HDADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(CNc2ccncn2)c1 ZINC000582984332 1074780031 /nfs/dbraw/zinc/78/00/31/1074780031.db2.gz KQOHRHFQKISYIS-JOCHJYFZSA-N 1 0 417.513 2.238 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000477059553 1074780716 /nfs/dbraw/zinc/78/07/16/1074780716.db2.gz SGKAFUYTOAWJCP-DLBZAZTESA-N 1 0 403.527 1.414 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000477081398 1074788594 /nfs/dbraw/zinc/78/85/94/1074788594.db2.gz LRNVDFCQZCJJCI-QGZVFWFLSA-N 1 0 405.539 1.706 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000477081371 1074788617 /nfs/dbraw/zinc/78/86/17/1074788617.db2.gz LQSWYBLHFPCROL-KRWDZBQOSA-N 1 0 414.550 1.661 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000477099910 1074790525 /nfs/dbraw/zinc/79/05/25/1074790525.db2.gz LWVGUFWSFXQXBI-LBPRGKRZSA-N 1 0 420.373 1.678 20 0 HDADRO Cc1cc(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)nn1-c1ccccc1 ZINC000463971306 1074790982 /nfs/dbraw/zinc/79/09/82/1074790982.db2.gz ORWJJOBTLMHLJT-FQEVSTJZSA-N 1 0 419.485 2.325 20 0 HDADRO CCC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)C(=O)N1CCc2sccc2C1 ZINC000477096207 1074791792 /nfs/dbraw/zinc/79/17/92/1074791792.db2.gz GNPHORGRCFUFDQ-DOTOQJQBSA-N 1 0 422.595 1.764 20 0 HDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304897 1074793349 /nfs/dbraw/zinc/79/33/49/1074793349.db2.gz HTKZTVGXKVUBFI-FUHWJXTLSA-N 1 0 420.941 1.942 20 0 HDADRO CNC(=O)COc1cccc(CNC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)c1 ZINC000509319327 1074793929 /nfs/dbraw/zinc/79/39/29/1074793929.db2.gz AXJFZIPTUJSQCJ-UHFFFAOYSA-N 1 0 407.430 1.252 20 0 HDADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000429331731 1074796291 /nfs/dbraw/zinc/79/62/91/1074796291.db2.gz LCZUPLCSOIRIMM-NRFANRHFSA-N 1 0 407.478 1.763 20 0 HDADRO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H](c2ccsc2)O1 ZINC000675309204 1074796554 /nfs/dbraw/zinc/79/65/54/1074796554.db2.gz IKIJMOZHFWKHCL-NZSAHSFTSA-N 1 0 408.568 1.626 20 0 HDADRO COC(=O)c1c(F)cccc1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000571980540 1074796820 /nfs/dbraw/zinc/79/68/20/1074796820.db2.gz LTAMRZLZYYTLHL-UHFFFAOYSA-N 1 0 403.414 1.653 20 0 HDADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448532812 1074803903 /nfs/dbraw/zinc/80/39/03/1074803903.db2.gz PGVGJUOAIKTMFJ-UHFFFAOYSA-N 1 0 409.412 2.296 20 0 HDADRO Cn1cnc2c1c(=O)n(CCC[NH+]1CCC3(CC1)OCc1ccccc13)c(=O)n2C ZINC000675325601 1074807445 /nfs/dbraw/zinc/80/74/45/1074807445.db2.gz NDXLDUHJALNWCS-UHFFFAOYSA-N 1 0 409.490 1.345 20 0 HDADRO Cc1cc(NC(=O)C2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)no1 ZINC000426531052 1074808014 /nfs/dbraw/zinc/80/80/14/1074808014.db2.gz GRQIAOLCCPHUEG-MSOLQXFVSA-N 1 0 419.526 1.721 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)c(Br)s3)CC[C@@H]21 ZINC000766106012 1074811813 /nfs/dbraw/zinc/81/18/13/1074811813.db2.gz APJLYLJFSQOOAO-ZJUUUORDSA-N 1 0 422.370 1.714 20 0 HDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(S(N)(=O)=O)c(Br)s3)CC[C@@H]21 ZINC000766106009 1074811977 /nfs/dbraw/zinc/81/19/77/1074811977.db2.gz APJLYLJFSQOOAO-UWVGGRQHSA-N 1 0 422.370 1.714 20 0 HDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC[C@@H]21 ZINC000766109891 1074814317 /nfs/dbraw/zinc/81/43/17/1074814317.db2.gz QPSWFAUIMJLONV-WFASDCNBSA-N 1 0 405.300 1.981 20 0 HDADRO Cc1cc(NC(=O)C2CCN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)no1 ZINC000522256760 1074815008 /nfs/dbraw/zinc/81/50/08/1074815008.db2.gz HPMAWKLWMMTOBC-QFIPXVFZSA-N 1 0 412.490 1.797 20 0 HDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC[C@H]21 ZINC000766109889 1074816909 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CC[NH+](CC)CCOC1CCN(C(=O)C(=O)Nc2nnc(C(C)(C)C)s2)CC1 ZINC000467893396 1075199962 /nfs/dbraw/zinc/19/99/62/1075199962.db2.gz OWEOHEOXLUQMSN-UHFFFAOYSA-N 1 0 411.572 2.124 20 0 HDADRO CC[NH+](CC)CCOc1cc(NC(=O)C(=O)Nc2cc(C)n(C)n2)ccc1OC ZINC000565848139 1075200295 /nfs/dbraw/zinc/20/02/95/1075200295.db2.gz QIEMGSMOCFQCNC-UHFFFAOYSA-N 1 0 403.483 2.035 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000466685243 1075201144 /nfs/dbraw/zinc/20/11/44/1075201144.db2.gz ZRAUNMFRIMKJSN-UKRRQHHQSA-N 1 0 401.536 2.553 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000675559850 1075203484 /nfs/dbraw/zinc/20/34/84/1075203484.db2.gz KQEAXBKHSWXRNJ-GOSISDBHSA-N 1 0 407.559 1.019 20 0 HDADRO Cc1cc(F)ccc1CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675562561 1075203714 /nfs/dbraw/zinc/20/37/14/1075203714.db2.gz LCCAMPBPSCNSKO-FQEVSTJZSA-N 1 0 404.530 1.420 20 0 HDADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)[NH+](C)C)c1 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1.669 20 0 HDADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)n1 ZINC000426715892 1075224860 /nfs/dbraw/zinc/22/48/60/1075224860.db2.gz JZZZUUITNJCGJS-MJGOQNOKSA-N 1 0 413.522 2.291 20 0 HDADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000675593098 1075230931 /nfs/dbraw/zinc/23/09/31/1075230931.db2.gz SCGUFIWGTKGIMB-QGZVFWFLSA-N 1 0 407.515 1.006 20 0 HDADRO CC[NH+]1CCN(CCNc2ncnc3ccc(I)cc32)CC1 ZINC000461462318 1075231709 /nfs/dbraw/zinc/23/17/09/1075231709.db2.gz IZTWWHYUXXTNDL-UHFFFAOYSA-N 1 0 411.291 2.284 20 0 HDADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2cc(C)n(C3CCCCC3)n2)CC1 ZINC000517060879 1075231808 /nfs/dbraw/zinc/23/18/08/1075231808.db2.gz SYNDDAVPYPLQSA-UHFFFAOYSA-N 1 0 404.559 1.779 20 0 HDADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 ZINC000675595553 1075233590 /nfs/dbraw/zinc/23/35/90/1075233590.db2.gz VLFJRDQWBIEVAI-JZXOWHBKSA-N 1 0 405.543 1.873 20 0 HDADRO O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000675598444 1075235249 /nfs/dbraw/zinc/23/52/49/1075235249.db2.gz UYBLSBRZEDUXFH-AZUAARDMSA-N 1 0 411.506 1.231 20 0 HDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@H](CS(C)(=O)=O)C3)CC2)cc1 ZINC000429364991 1075236951 /nfs/dbraw/zinc/23/69/51/1075236951.db2.gz NULPUFLSOORUEM-IBGZPJMESA-N 1 0 423.579 1.096 20 0 HDADRO CN1CC[N@H+](CCCNC(=O)N2CCN3CCOC[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000543640942 1075242525 /nfs/dbraw/zinc/24/25/25/1075242525.db2.gz CCOHJFBYBSFVBS-LEWJYISDSA-N 1 0 401.555 1.091 20 0 HDADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccc2F)n1 ZINC000446915288 1075243273 /nfs/dbraw/zinc/24/32/73/1075243273.db2.gz UPCCNJHMHKELBN-HNNXBMFYSA-N 1 0 405.474 1.759 20 0 HDADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000426932519 1075243534 /nfs/dbraw/zinc/24/35/34/1075243534.db2.gz NWMOEUDVGNCJNM-KRWDZBQOSA-N 1 0 405.543 2.144 20 0 HDADRO C[NH+](C)CCOCCNC(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000543640333 1075244505 /nfs/dbraw/zinc/24/45/05/1075244505.db2.gz UYJSIAOPVWENEM-DYESRHJHSA-N 1 0 414.510 1.773 20 0 HDADRO COc1cccc(NC(=O)CN(C)C(=O)CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000429368448 1075245165 /nfs/dbraw/zinc/24/51/65/1075245165.db2.gz QEJONNKXQQXXDJ-QGZVFWFLSA-N 1 0 402.539 1.898 20 0 HDADRO COC[C@]1(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)OCCc2ccccc21 ZINC000583662726 1075253472 /nfs/dbraw/zinc/25/34/72/1075253472.db2.gz RRRPIVFLKPVIHM-QFIPXVFZSA-N 1 0 413.522 2.386 20 0 HDADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000675711134 1075259549 /nfs/dbraw/zinc/25/95/49/1075259549.db2.gz QDCZLYQIZOTLNA-QGZVFWFLSA-N 1 0 402.605 1.954 20 0 HDADRO CCOC(=O)CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000618862360 1075262867 /nfs/dbraw/zinc/26/28/67/1075262867.db2.gz SGFIMVDDUBXFKI-INIZCTEOSA-N 1 0 419.526 1.670 20 0 HDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001005767359 1075264000 /nfs/dbraw/zinc/26/40/00/1075264000.db2.gz QNRSVCCSPCZUJY-UJCQGIJZSA-N 1 0 401.551 1.778 20 0 HDADRO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000675749892 1075264054 /nfs/dbraw/zinc/26/40/54/1075264054.db2.gz VXZFZCXSWWSSSR-KRWDZBQOSA-N 1 0 405.506 1.901 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)CC1 ZINC000675759801 1075266145 /nfs/dbraw/zinc/26/61/45/1075266145.db2.gz JGRXYDWDYXWSBQ-IBGZPJMESA-N 1 0 418.519 1.410 20 0 HDADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000675764229 1075268284 /nfs/dbraw/zinc/26/82/84/1075268284.db2.gz GMNZLDKVQXHBLV-CQSZACIVSA-N 1 0 411.549 1.958 20 0 HDADRO O=C1C[C@@H](Nc2nc(N[C@H]3CC(=O)N4CCCC[C@@H]34)cc(C3CC3)[nH+]2)[C@H]2CCCCN12 ZINC000580358666 1075271582 /nfs/dbraw/zinc/27/15/82/1075271582.db2.gz GBSLFHLQXMKIOU-ZSYWTGECSA-N 1 0 424.549 2.485 20 0 HDADRO COc1cc([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)ccc1OC(F)F ZINC000675817009 1075276340 /nfs/dbraw/zinc/27/63/40/1075276340.db2.gz KOAPXWSCQBGIIU-CYBMUJFWSA-N 1 0 407.483 1.524 20 0 HDADRO CC[C@@H]1CN(C(=O)Nc2cccc3c2CCN3C(=O)COC)CC[N@@H+]1C[C@H](C)O ZINC000543651521 1075284549 /nfs/dbraw/zinc/28/45/49/1075284549.db2.gz IPVDKTYZGDNRJA-JKSUJKDBSA-N 1 0 404.511 1.531 20 0 HDADRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)nnn1-c1ccc(F)cc1 ZINC000675885463 1075289079 /nfs/dbraw/zinc/28/90/79/1075289079.db2.gz BDKADIQWHHMCGU-VQIMIIECSA-N 1 0 402.518 1.772 20 0 HDADRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)ccc1S(C)(=O)=O ZINC000675885511 1075289115 /nfs/dbraw/zinc/28/91/15/1075289115.db2.gz CVVFVDQTELGTAI-SJLPKXTDSA-N 1 0 411.568 1.156 20 0 HDADRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000675885444 1075289173 /nfs/dbraw/zinc/28/91/73/1075289173.db2.gz ALYYLSZTSIFZCC-QUCCMNQESA-N 1 0 422.595 1.284 20 0 HDADRO CC[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000675887156 1075289758 /nfs/dbraw/zinc/28/97/58/1075289758.db2.gz YHOBGNHDFZNHND-PZJWPPBQSA-N 1 0 418.582 1.601 20 0 HDADRO Cc1ccc(NC(=O)C(=O)Nc2cc(C(C)C)on2)cc1NC(=O)CC[NH+](C)C ZINC000441567831 1075294978 /nfs/dbraw/zinc/29/49/78/1075294978.db2.gz FWXMXOKLMBKNDP-UHFFFAOYSA-N 1 0 401.467 2.574 20 0 HDADRO COc1cc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)ccc1OCCO ZINC000491459863 1075301788 /nfs/dbraw/zinc/30/17/88/1075301788.db2.gz UPOPFZBFZWJKFN-UHFFFAOYSA-N 1 0 403.483 1.851 20 0 HDADRO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)NCCC[NH+](C)C)CC1 ZINC000675946979 1075304729 /nfs/dbraw/zinc/30/47/29/1075304729.db2.gz BYQJEJNJPCMOPA-UHFFFAOYSA-N 1 0 418.947 1.316 20 0 HDADRO Cc1noc(C[C@H](NC(=O)N(C)CCCN2CC[NH+](C)CC2)c2ccccc2)n1 ZINC000429386301 1075304972 /nfs/dbraw/zinc/30/49/72/1075304972.db2.gz JHKVRUNOWGXQMO-IBGZPJMESA-N 1 0 400.527 1.941 20 0 HDADRO CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000675929782 1075305865 /nfs/dbraw/zinc/30/58/65/1075305865.db2.gz AIHAJRPQSACACF-LJQANCHMSA-N 1 0 418.538 1.815 20 0 HDADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@]3(O)CCCc4ccccc43)ccn2)CC1 ZINC000731364026 1075310029 /nfs/dbraw/zinc/31/00/29/1075310029.db2.gz YTFHWOFSVRNICI-HSZRJFAPSA-N 1 0 409.534 1.857 20 0 HDADRO Cc1cc(C)c(NC(=O)CCC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C)c1 ZINC000675965068 1075310921 /nfs/dbraw/zinc/31/09/21/1075310921.db2.gz LXIHDQCQLFNHJC-RTBURBONSA-N 1 0 423.579 1.418 20 0 HDADRO COc1ccccc1C(C)(C)CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000675967801 1075311469 /nfs/dbraw/zinc/31/14/69/1075311469.db2.gz IPPBDEUUFXNYFL-SFHVURJKSA-N 1 0 402.539 1.921 20 0 HDADRO COc1cc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc(OC)c1C(C)C ZINC000566591490 1075316722 /nfs/dbraw/zinc/31/67/22/1075316722.db2.gz AEFHDMRNUYTERV-UHFFFAOYSA-N 1 0 403.483 2.163 20 0 HDADRO CC[C@@H]1CN(C(=O)C(=O)NCC[N@H+](CC)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000804221037 1075316735 /nfs/dbraw/zinc/31/67/35/1075316735.db2.gz GSCBJJDVZUKNHS-NVXWUHKLSA-N 1 0 410.559 1.739 20 0 HDADRO C[C@@H](NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)C1CC[NH+](C)CC1 ZINC000675996580 1075320658 /nfs/dbraw/zinc/32/06/58/1075320658.db2.gz ZVGIWOPYDYWRSJ-MRXNPFEDSA-N 1 0 411.554 1.770 20 0 HDADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@H](C)N3C(=O)CCC3=O)CC2)cc1 ZINC001129157678 1075323132 /nfs/dbraw/zinc/32/31/32/1075323132.db2.gz JNEVKULIPBHZBW-AWEZNQCLSA-N 1 0 400.479 1.263 20 0 HDADRO Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1C ZINC000579782096 1075326771 /nfs/dbraw/zinc/32/67/71/1075326771.db2.gz YXVOVQMAOPVHIK-UHFFFAOYSA-N 1 0 405.524 1.684 20 0 HDADRO CC[NH+]1CCN([C@H]2CCN([C@@H]3CCN(c4sccc4C(=O)OC)C3=O)C2)CC1 ZINC000466708163 1075332022 /nfs/dbraw/zinc/33/20/22/1075332022.db2.gz XFYOVGQPNRADHI-DOTOQJQBSA-N 1 0 406.552 1.352 20 0 HDADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCOc2cccnc2)[C@@H]1c1cccs1 ZINC000804076150 1075337731 /nfs/dbraw/zinc/33/77/31/1075337731.db2.gz CLHGTXSHAIRYKA-MAUKXSAKSA-N 1 0 402.520 1.837 20 0 HDADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCOc2cccnc2)[C@H]1c1cccs1 ZINC000804076151 1075337944 /nfs/dbraw/zinc/33/79/44/1075337944.db2.gz CLHGTXSHAIRYKA-QAPCUYQASA-N 1 0 402.520 1.837 20 0 HDADRO COCC(=O)N1CCc2c1cccc2NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000543653696 1075338701 /nfs/dbraw/zinc/33/87/01/1075338701.db2.gz VRAXSWTXJPVVJY-INIZCTEOSA-N 1 0 403.527 1.227 20 0 HDADRO COC(=O)[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C(=O)OC)C1 ZINC000509379218 1075340040 /nfs/dbraw/zinc/34/00/40/1075340040.db2.gz GZAYAALPMDLGOK-IEBWSBKVSA-N 1 0 417.506 1.152 20 0 HDADRO Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000446813981 1075349024 /nfs/dbraw/zinc/34/90/24/1075349024.db2.gz UDTWXBYBEOFMLN-RTBURBONSA-N 1 0 413.522 2.198 20 0 HDADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000804084069 1075351433 /nfs/dbraw/zinc/35/14/33/1075351433.db2.gz LHHPZCASJFQIBE-GOSISDBHSA-N 1 0 411.930 1.306 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1 ZINC000676092597 1075352113 /nfs/dbraw/zinc/35/21/13/1075352113.db2.gz MLDSDTAEXHPOHQ-HNNXBMFYSA-N 1 0 418.929 1.679 20 0 HDADRO COC(=O)[C@@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H](C(=O)OC)C1 ZINC000509381777 1075352122 /nfs/dbraw/zinc/35/21/22/1075352122.db2.gz ZGWSTUDWJVBDBV-RTBURBONSA-N 1 0 417.506 1.001 20 0 HDADRO CCC(CC)C(=O)N1CCC(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676093897 1075353511 /nfs/dbraw/zinc/35/35/11/1075353511.db2.gz YWRJDVKNXYNYTN-UHFFFAOYSA-N 1 0 412.494 1.749 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc(N2CCCC2=O)c1 ZINC000676093650 1075353525 /nfs/dbraw/zinc/35/35/25/1075353525.db2.gz YYFJNCWWHGTEGQ-HNNXBMFYSA-N 1 0 412.494 1.387 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccccc2OCC(F)(F)F)cn1 ZINC000676093855 1075353549 /nfs/dbraw/zinc/35/35/49/1075353549.db2.gz XWWDZZJPUJKILB-UHFFFAOYSA-N 1 0 413.400 1.641 20 0 HDADRO COc1cccc(N2C[C@@H](NC(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2=O)c1 ZINC000676093195 1075354295 /nfs/dbraw/zinc/35/42/95/1075354295.db2.gz GXCUFLBJRKSZMP-AWEZNQCLSA-N 1 0 420.429 1.136 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCCc2nc3c(s2)CCCC3)cn1 ZINC000676094394 1075355981 /nfs/dbraw/zinc/35/59/81/1075355981.db2.gz WKHYKFFFQODOCS-UHFFFAOYSA-N 1 0 404.540 1.468 20 0 HDADRO O=C(CCCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)N1CCc2ccccc21 ZINC000676095916 1075356963 /nfs/dbraw/zinc/35/69/63/1075356963.db2.gz XEIHRJAKRACZJD-UHFFFAOYSA-N 1 0 418.457 1.692 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000676095289 1075357799 /nfs/dbraw/zinc/35/77/99/1075357799.db2.gz JSRVRFJQIOWFIJ-MRXNPFEDSA-N 1 0 408.393 1.267 20 0 HDADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C1 ZINC000731467761 1075358059 /nfs/dbraw/zinc/35/80/59/1075358059.db2.gz AUNMXYSLMYNYJN-MBSDFSHPSA-N 1 0 406.486 1.973 20 0 HDADRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676096788 1075358870 /nfs/dbraw/zinc/35/88/70/1075358870.db2.gz QHFQSVZZDGXUMP-CXAGYDPISA-N 1 0 407.902 1.929 20 0 HDADRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676096796 1075358876 /nfs/dbraw/zinc/35/88/76/1075358876.db2.gz QHFQSVZZDGXUMP-GUYCJALGSA-N 1 0 407.902 1.929 20 0 HDADRO O=C(NCCCN1C(=O)COc2ccccc21)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096737 1075358882 /nfs/dbraw/zinc/35/88/82/1075358882.db2.gz HSCKTANOUCKRMH-UHFFFAOYSA-N 1 0 420.429 1.138 20 0 HDADRO Cc1c(C(=O)N2CCC(C3OCCO3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731474439 1075361280 /nfs/dbraw/zinc/36/12/80/1075361280.db2.gz UJRIJIWVADGDKA-UHFFFAOYSA-N 1 0 411.506 1.789 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000676098918 1075363032 /nfs/dbraw/zinc/36/30/32/1075363032.db2.gz HNIWPMMQPWSGMN-CYBMUJFWSA-N 1 0 412.400 1.879 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cn1 ZINC000676099807 1075364176 /nfs/dbraw/zinc/36/41/76/1075364176.db2.gz XOCISUXWXPZNHE-ZDUSSCGKSA-N 1 0 406.437 1.057 20 0 HDADRO Cc1cc(C)n(-c2ccccc2CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)n1 ZINC000676099634 1075364688 /nfs/dbraw/zinc/36/46/88/1075364688.db2.gz JESPMTZDZPSQSI-UHFFFAOYSA-N 1 0 409.494 1.502 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000731481436 1075365454 /nfs/dbraw/zinc/36/54/54/1075365454.db2.gz UEGHTGVLASGAOW-UHFFFAOYSA-N 1 0 410.559 1.692 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCOc2ncc(Cl)cc2Cl)cn1 ZINC000676099561 1075365392 /nfs/dbraw/zinc/36/53/92/1075365392.db2.gz FUSNWJGTQBXUCV-UHFFFAOYSA-N 1 0 415.281 1.280 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000731481513 1075365759 /nfs/dbraw/zinc/36/57/59/1075365759.db2.gz WYAHESQKCUILRF-HXUWFJFHSA-N 1 0 414.550 1.740 20 0 HDADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=S)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000731490758 1075367063 /nfs/dbraw/zinc/36/70/63/1075367063.db2.gz SQOZMUQAAVCRHF-INIZCTEOSA-N 1 0 404.561 1.701 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCNc2nc3ccccc3s2)cn1 ZINC000676088480 1075371544 /nfs/dbraw/zinc/37/15/44/1075371544.db2.gz AGCOJWCNNJMCAP-UHFFFAOYSA-N 1 0 401.496 1.221 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)COc2ccc3ccc(=O)oc3c2)CC1 ZINC000731480408 1075372355 /nfs/dbraw/zinc/37/23/55/1075372355.db2.gz FWHWMEPKRKNJMR-UHFFFAOYSA-N 1 0 401.463 1.231 20 0 HDADRO Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)cn2)n1 ZINC000676091442 1075376731 /nfs/dbraw/zinc/37/67/31/1075376731.db2.gz LYSMJIWXIBZEJH-UHFFFAOYSA-N 1 0 416.445 1.720 20 0 HDADRO CC(C)[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1nnc2ccccn21 ZINC000676092932 1075377156 /nfs/dbraw/zinc/37/71/56/1075377156.db2.gz DRSANXNCIBNBHN-QGZVFWFLSA-N 1 0 404.434 1.762 20 0 HDADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804091493 1075389169 /nfs/dbraw/zinc/38/91/69/1075389169.db2.gz NRPCYAMYRVCFLT-IAGOWNOFSA-N 1 0 410.559 1.883 20 0 HDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000804091089 1075390031 /nfs/dbraw/zinc/39/00/31/1075390031.db2.gz WFKOZDLAENEPQQ-IAGOWNOFSA-N 1 0 422.570 1.929 20 0 HDADRO CC[C@H]([NH2+]CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)[C@H]1CCCO1 ZINC000544457814 1075391025 /nfs/dbraw/zinc/39/10/25/1075391025.db2.gz GYCKMSTVLWGJBY-VQTJNVASSA-N 1 0 416.566 1.933 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804094180 1075394526 /nfs/dbraw/zinc/39/45/26/1075394526.db2.gz SPQBHROVLXQXTK-IXDOHACOSA-N 1 0 410.559 1.929 20 0 HDADRO NC(=O)c1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)ccc1F ZINC000676124414 1075395424 /nfs/dbraw/zinc/39/54/24/1075395424.db2.gz IDJBKJYKNQXPDW-HNAYVOBHSA-N 1 0 400.454 1.929 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000676124396 1075395488 /nfs/dbraw/zinc/39/54/88/1075395488.db2.gz HYYYXSUOSFLYSX-PZJWPPBQSA-N 1 0 410.518 1.980 20 0 HDADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000543658727 1075397171 /nfs/dbraw/zinc/39/71/71/1075397171.db2.gz PBLHRSGMWLYSGP-UYAOXDASSA-N 1 0 417.531 1.330 20 0 HDADRO C[NH+]1CCN(c2cc(CNC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)ccn2)CC1 ZINC000731610811 1075400001 /nfs/dbraw/zinc/40/00/01/1075400001.db2.gz YHXNMLGZHJXFMT-UHFFFAOYSA-N 1 0 422.464 1.448 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)n2)cc1 ZINC000425968749 1075402102 /nfs/dbraw/zinc/40/21/02/1075402102.db2.gz VPRAHVYINNWFON-KRWDZBQOSA-N 1 0 401.511 1.971 20 0 HDADRO CCOC(Cn1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)nn1)OCC ZINC000731600170 1075406235 /nfs/dbraw/zinc/40/62/35/1075406235.db2.gz VARBQYBZWPWZCK-UHFFFAOYSA-N 1 0 402.499 1.681 20 0 HDADRO Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000608536540 1075409673 /nfs/dbraw/zinc/40/96/73/1075409673.db2.gz KRSVZCUOFKWXLU-QGZVFWFLSA-N 1 0 411.506 1.736 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000676167123 1075416749 /nfs/dbraw/zinc/41/67/49/1075416749.db2.gz JDJMIZXVIRFBDD-WOJBJXKFSA-N 1 0 421.586 1.687 20 0 HDADRO COc1cc(C=O)ccc1OCC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000731622258 1075416887 /nfs/dbraw/zinc/41/68/87/1075416887.db2.gz JTVOCFGAQZMYEX-UHFFFAOYSA-N 1 0 413.430 1.995 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000676191029 1075420217 /nfs/dbraw/zinc/42/02/17/1075420217.db2.gz JTGRRBMUPQJDIG-DBVUQKKJSA-N 1 0 400.523 1.314 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434557253 1075426477 /nfs/dbraw/zinc/42/64/77/1075426477.db2.gz OKHZBJUYTKQYNV-OAHLLOKOSA-N 1 0 400.458 1.786 20 0 HDADRO C[C@@H](NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676243042 1075444176 /nfs/dbraw/zinc/44/41/76/1075444176.db2.gz GSQPAOCAUOWYSU-CTNGQTDRSA-N 1 0 403.571 1.213 20 0 HDADRO Cc1nc2sccn2c(=O)c1CC[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000509392879 1075449341 /nfs/dbraw/zinc/44/93/41/1075449341.db2.gz MCGFBTBDONQZBU-UHFFFAOYSA-N 1 0 417.579 1.483 20 0 HDADRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)cc1 ZINC000551773229 1075453710 /nfs/dbraw/zinc/45/37/10/1075453710.db2.gz RJJVSCBGSIDZCP-LJQANCHMSA-N 1 0 422.489 1.693 20 0 HDADRO CC[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)nn1)[N@@H+]1CCc2ccccc2C1 ZINC000560168294 1075455697 /nfs/dbraw/zinc/45/56/97/1075455697.db2.gz QUMFQJFWPTZCMF-SFHVURJKSA-N 1 0 411.506 2.155 20 0 HDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000731681148 1075463627 /nfs/dbraw/zinc/46/36/27/1075463627.db2.gz KZMLRBQLWNJUGB-CALCHBBNSA-N 1 0 402.605 1.163 20 0 HDADRO O=C(CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429411669 1075464372 /nfs/dbraw/zinc/46/43/72/1075464372.db2.gz YDKVQCVJQWFNMA-AWEZNQCLSA-N 1 0 400.483 1.859 20 0 HDADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731681649 1075464600 /nfs/dbraw/zinc/46/46/00/1075464600.db2.gz ZHHRAQLPVKPHSL-UHFFFAOYSA-N 1 0 424.611 1.835 20 0 HDADRO COc1cccc(C[C@@H](C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)n2nnnc2C)c1 ZINC000505113728 1075473296 /nfs/dbraw/zinc/47/32/96/1075473296.db2.gz LJTSWMKXVGQSAH-SFHVURJKSA-N 1 0 404.434 1.993 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CN(C)CCO1 ZINC000676281209 1075487293 /nfs/dbraw/zinc/48/72/93/1075487293.db2.gz VIZBUMHBQRNIJG-QFBILLFUSA-N 1 0 420.579 1.052 20 0 HDADRO CC[NH+](CC)[C@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)Cc1ccccc1 ZINC000676289008 1075492313 /nfs/dbraw/zinc/49/23/13/1075492313.db2.gz ISYJNNBEDIOFLZ-FQEVSTJZSA-N 1 0 403.571 1.355 20 0 HDADRO CC1CC[NH+]([C@H](CNC(=O)N2CCN(CC(=O)N(C)C)CC2)c2cccs2)CC1 ZINC000676290285 1075494873 /nfs/dbraw/zinc/49/48/73/1075494873.db2.gz WWCPERDBVXXMOJ-GOSISDBHSA-N 1 0 421.611 1.937 20 0 HDADRO C[C@@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1CN(C)CCO1 ZINC000676294973 1075498518 /nfs/dbraw/zinc/49/85/18/1075498518.db2.gz GWKTWACEAJFHJS-NSHGMRRFSA-N 1 0 404.555 1.905 20 0 HDADRO CC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(OC)c(OC)c1 ZINC000506955930 1075499309 /nfs/dbraw/zinc/49/93/09/1075499309.db2.gz UQVZDLYPWAHSNM-HNNXBMFYSA-N 1 0 403.483 1.668 20 0 HDADRO CN(C(=O)C[NH2+]C1(CO)CCOCC1)c1ccccc1C(=O)NCc1ccco1 ZINC000731750976 1075507968 /nfs/dbraw/zinc/50/79/68/1075507968.db2.gz ABNGCZCBGBGUOY-UHFFFAOYSA-N 1 0 401.463 1.304 20 0 HDADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000465416840 1075508509 /nfs/dbraw/zinc/50/85/09/1075508509.db2.gz LKRJHMSVGCMNOS-OAHLLOKOSA-N 1 0 406.446 1.610 20 0 HDADRO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676341649 1075515204 /nfs/dbraw/zinc/51/52/04/1075515204.db2.gz BWXIVRZTGJOBDD-AWEZNQCLSA-N 1 0 417.478 1.003 20 0 HDADRO CS(=O)(=O)CCN1CCC(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000731761301 1075515257 /nfs/dbraw/zinc/51/52/57/1075515257.db2.gz DHBFDCZCFUFFIF-SFHVURJKSA-N 1 0 400.589 1.155 20 0 HDADRO COc1ccccc1[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000446716608 1075515826 /nfs/dbraw/zinc/51/58/26/1075515826.db2.gz KHCWARJOWVHZJB-NRFANRHFSA-N 1 0 421.501 2.298 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)NC3CCN(CC(=O)N(C)C)CC3)cc2)CC1 ZINC000731762062 1075516464 /nfs/dbraw/zinc/51/64/64/1075516464.db2.gz ZUXZRHVAFYJUDX-UHFFFAOYSA-N 1 0 416.570 1.503 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000731763925 1075517876 /nfs/dbraw/zinc/51/78/76/1075517876.db2.gz FOPJRTVNDWOOJN-AWEZNQCLSA-N 1 0 410.540 1.041 20 0 HDADRO Cn1c2ccc(S(=O)(=O)Nc3ccccc3N3CC[NH+](C)CC3)cc2n(C)c1=O ZINC000731781841 1075523819 /nfs/dbraw/zinc/52/38/19/1075523819.db2.gz GRBFEZKHOPPEEL-UHFFFAOYSA-N 1 0 415.519 1.430 20 0 HDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)Nc3cnc(C4CC4)nc3)CC2)CC1 ZINC000676361785 1075524115 /nfs/dbraw/zinc/52/41/15/1075524115.db2.gz XITJLANTPXKDGX-UHFFFAOYSA-N 1 0 400.527 1.310 20 0 HDADRO CC(C)(O)[C@@H]1CCCN1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543671939 1075527289 /nfs/dbraw/zinc/52/72/89/1075527289.db2.gz DWVAMOLFWIRALN-MOPGFXCFSA-N 1 0 402.539 1.829 20 0 HDADRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000731809227 1075527485 /nfs/dbraw/zinc/52/74/85/1075527485.db2.gz RFOFCYSLAGYNDP-KBPBESRZSA-N 1 0 406.533 1.655 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000509409956 1075531234 /nfs/dbraw/zinc/53/12/34/1075531234.db2.gz IGBQZKLBTMPPPV-UHFFFAOYSA-N 1 0 415.581 1.622 20 0 HDADRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000676359547 1075532768 /nfs/dbraw/zinc/53/27/68/1075532768.db2.gz RFLQRGQJVCYHQB-HOTGVXAUSA-N 1 0 400.479 1.035 20 0 HDADRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1 ZINC000731852316 1075534481 /nfs/dbraw/zinc/53/44/81/1075534481.db2.gz NRIDFZIYLYTZMY-HIFRSBDPSA-N 1 0 415.943 1.479 20 0 HDADRO Cc1nccn1-c1ccc([C@H](C)NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC000441665021 1075542145 /nfs/dbraw/zinc/54/21/45/1075542145.db2.gz DIKMQTFLOHRCRH-HNNXBMFYSA-N 1 0 415.457 2.577 20 0 HDADRO Cc1nccn1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC000441665024 1075542270 /nfs/dbraw/zinc/54/22/70/1075542270.db2.gz DIKMQTFLOHRCRH-OAHLLOKOSA-N 1 0 415.457 2.577 20 0 HDADRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cccc(NS(C)(=O)=O)c2)c(C)s1 ZINC000676418202 1075548655 /nfs/dbraw/zinc/54/86/55/1075548655.db2.gz JWRQTADLBGZYJS-UHFFFAOYSA-N 1 0 417.578 1.805 20 0 HDADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000731873023 1075549028 /nfs/dbraw/zinc/54/90/28/1075549028.db2.gz KIFJVCBBJYDXDV-INIZCTEOSA-N 1 0 418.567 1.385 20 0 HDADRO CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000543674032 1075550486 /nfs/dbraw/zinc/55/04/86/1075550486.db2.gz PIDHVMCZINMWJC-RBUKOAKNSA-N 1 0 407.603 1.693 20 0 HDADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)ccc1Br ZINC000731879654 1075550487 /nfs/dbraw/zinc/55/04/87/1075550487.db2.gz UETIJSPITPOEKI-NSHDSACASA-N 1 0 404.330 1.381 20 0 HDADRO CSCC[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1nnc2ccccn21 ZINC000438715154 1075551489 /nfs/dbraw/zinc/55/14/89/1075551489.db2.gz WJSHYPZJXVKJQJ-AWEZNQCLSA-N 1 0 402.528 2.103 20 0 HDADRO Cc1c(NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)cnn1-c1ccccc1F ZINC000676453034 1075558535 /nfs/dbraw/zinc/55/85/35/1075558535.db2.gz GVGPFKKCYOBCRF-UHFFFAOYSA-N 1 0 416.501 1.402 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCC2(CO)CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000676453545 1075558877 /nfs/dbraw/zinc/55/88/77/1075558877.db2.gz QCBVXEDZLSUSAM-SFHVURJKSA-N 1 0 411.506 1.466 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCC(C)(C)CO)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000676455017 1075559232 /nfs/dbraw/zinc/55/92/32/1075559232.db2.gz GTMYERFILZVNQM-GOSISDBHSA-N 1 0 413.522 1.712 20 0 HDADRO Cc1nnc2c3ccccc3c(NCCCC[NH+]3CCN(c4ncccn4)CC3)nn12 ZINC000561176660 1075562942 /nfs/dbraw/zinc/56/29/42/1075562942.db2.gz KGSRUNQVLSFADO-UHFFFAOYSA-N 1 0 417.521 2.390 20 0 HDADRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)NC(C)C ZINC000429438030 1075563308 /nfs/dbraw/zinc/56/33/08/1075563308.db2.gz QWYDWOSHKAFEKI-GFCCVEGCSA-N 1 0 406.936 1.488 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C1(OCc2ccccc2)CCOCC1 ZINC000676473962 1075564197 /nfs/dbraw/zinc/56/41/97/1075564197.db2.gz YNNWLSLLKIBWPF-OAQYLSRUSA-N 1 0 417.550 1.275 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000676502309 1075570267 /nfs/dbraw/zinc/57/02/67/1075570267.db2.gz ZCLJRYOVQZXRFE-GAPZROTKSA-N 1 0 403.527 1.365 20 0 HDADRO COc1cc2c(cc1CNC(=O)N[C@@H]1CC[N@@H+](C3CCN(C)CC3)C1)O[C@@H](C)C2 ZINC000676501855 1075570511 /nfs/dbraw/zinc/57/05/11/1075570511.db2.gz WBMOZMNTYFZXNL-MAUKXSAKSA-N 1 0 402.539 1.986 20 0 HDADRO O=C(c1ccc(S(=O)(=O)N2CCOCC2)o1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676506736 1075572203 /nfs/dbraw/zinc/57/22/03/1075572203.db2.gz ACBMBORIPROFGT-WBVHZDCISA-N 1 0 423.535 1.389 20 0 HDADRO C[C@@H](NC(=O)N1CCN2CCOC[C@H]2C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000543677208 1075572311 /nfs/dbraw/zinc/57/23/11/1075572311.db2.gz HVPWUTBGXWWXOR-SJLPKXTDSA-N 1 0 405.518 1.365 20 0 HDADRO C[C@H](NC(=O)N1CCN2CCOC[C@@H]2C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000543677209 1075572397 /nfs/dbraw/zinc/57/23/97/1075572397.db2.gz HVPWUTBGXWWXOR-WMZOPIPTSA-N 1 0 405.518 1.365 20 0 HDADRO NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000676539756 1075580396 /nfs/dbraw/zinc/58/03/96/1075580396.db2.gz DUIVKLRHVKXMAV-UGSOOPFHSA-N 1 0 410.515 1.631 20 0 HDADRO COc1cc2c(cc1CNC(=O)N1CCN([C@@H]3CCC[N@H+](C)C3)CC1)O[C@@H](C)C2 ZINC000676543778 1075581800 /nfs/dbraw/zinc/58/18/00/1075581800.db2.gz GKWDNGXXQGYOPP-QFBILLFUSA-N 1 0 402.539 1.940 20 0 HDADRO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000676550551 1075583148 /nfs/dbraw/zinc/58/31/48/1075583148.db2.gz LEWGPPILTCYYBA-QGZVFWFLSA-N 1 0 414.510 1.010 20 0 HDADRO CN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732006507 1075584972 /nfs/dbraw/zinc/58/49/72/1075584972.db2.gz XSIDLBDRYWNZEI-UHFFFAOYSA-N 1 0 404.492 1.087 20 0 HDADRO CN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000732007068 1075585290 /nfs/dbraw/zinc/58/52/90/1075585290.db2.gz ZIRXQHAGVBATGN-UHFFFAOYSA-N 1 0 402.495 1.845 20 0 HDADRO CN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000551634715 1075586046 /nfs/dbraw/zinc/58/60/46/1075586046.db2.gz KLOJANZPMKSYHX-IBGZPJMESA-N 1 0 421.505 2.059 20 0 HDADRO Cc1sc(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)nc1C(C)C ZINC000426928939 1075588161 /nfs/dbraw/zinc/58/81/61/1075588161.db2.gz MBCKLSWGBCOJQV-UHFFFAOYSA-N 1 0 404.540 2.293 20 0 HDADRO CN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732034691 1075592093 /nfs/dbraw/zinc/59/20/93/1075592093.db2.gz GGNXYTDBWRLWCN-CQSZACIVSA-N 1 0 406.533 1.607 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccnc(OC3CCCCC3)c2)n1 ZINC000676548234 1075594381 /nfs/dbraw/zinc/59/43/81/1075594381.db2.gz BAWSIGBMCMOSLC-UHFFFAOYSA-N 1 0 414.510 1.806 20 0 HDADRO CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3cncc(C(=O)NC)c3)cn2)CC1 ZINC000732057093 1075596477 /nfs/dbraw/zinc/59/64/77/1075596477.db2.gz AUVOVMYLGSVIIQ-FNORWQNLSA-N 1 0 408.506 1.308 20 0 HDADRO C[C@H](C(=O)NCCS(=O)(=O)N1CCOCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732065253 1075599990 /nfs/dbraw/zinc/59/99/90/1075599990.db2.gz XGHIIGNZMSIOSU-GOSISDBHSA-N 1 0 423.579 1.108 20 0 HDADRO CNC(=O)c1cncc(/C=C/C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)c1 ZINC000732067910 1075601373 /nfs/dbraw/zinc/60/13/73/1075601373.db2.gz SDHXSYRZOXBVKN-SOFGYWHQSA-N 1 0 412.490 1.720 20 0 HDADRO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)C2=O ZINC000490001311 1075602852 /nfs/dbraw/zinc/60/28/52/1075602852.db2.gz WNNPQGJDFCQHNF-VLIAUNLRSA-N 1 0 402.499 1.589 20 0 HDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCC2(OC)CCOCC2)CC1 ZINC000676565439 1075602871 /nfs/dbraw/zinc/60/28/71/1075602871.db2.gz PWBAZWPPJAXDGE-UHFFFAOYSA-N 1 0 404.555 1.819 20 0 HDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CC1 ZINC000676598423 1075609328 /nfs/dbraw/zinc/60/93/28/1075609328.db2.gz XMNTYEJDNCWQRN-UHFFFAOYSA-N 1 0 424.567 1.195 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCC2CCN(CC(F)(F)F)CC2)C1 ZINC000676594107 1075612843 /nfs/dbraw/zinc/61/28/43/1075612843.db2.gz KFMCARDMLUZESQ-MRXNPFEDSA-N 1 0 406.493 1.756 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCc1cc(Br)cnc1N ZINC000567939767 1075613789 /nfs/dbraw/zinc/61/37/89/1075613789.db2.gz WUMWNJBYRSQPTN-UHFFFAOYSA-N 1 0 421.299 1.909 20 0 HDADRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)c1 ZINC000569843960 1075618478 /nfs/dbraw/zinc/61/84/78/1075618478.db2.gz CNLGNFCQWYBQMV-UHFFFAOYSA-N 1 0 424.509 1.785 20 0 HDADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C(=O)NCc3cncnc3N)ccc21 ZINC000539207521 1075619387 /nfs/dbraw/zinc/61/93/87/1075619387.db2.gz HVTBVLHUCZVGNE-UHFFFAOYSA-N 1 0 409.494 1.610 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)cn1 ZINC000676624059 1075623308 /nfs/dbraw/zinc/62/33/08/1075623308.db2.gz XWXVSFUZWVZVJX-GOSISDBHSA-N 1 0 401.511 1.302 20 0 HDADRO CS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000676633404 1075625221 /nfs/dbraw/zinc/62/52/21/1075625221.db2.gz BODDBDGYARZMGT-QWHCGFSZSA-N 1 0 411.351 1.994 20 0 HDADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCCc2nc(N)no2)CC1 ZINC000438006501 1075627911 /nfs/dbraw/zinc/62/79/11/1075627911.db2.gz AEVAGVZVSQXQOJ-ZDUSSCGKSA-N 1 0 405.478 1.536 20 0 HDADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000676649532 1075632773 /nfs/dbraw/zinc/63/27/73/1075632773.db2.gz SMXFSGDXSJVQBU-MAUKXSAKSA-N 1 0 409.556 1.330 20 0 HDADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732134951 1075632694 /nfs/dbraw/zinc/63/26/94/1075632694.db2.gz BWTOSBQDJJHRNH-FQEVSTJZSA-N 1 0 423.521 1.878 20 0 HDADRO CN(C[C@H]1CCCN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)C1)S(C)(=O)=O ZINC000804185882 1075633778 /nfs/dbraw/zinc/63/37/78/1075633778.db2.gz WLQYZLSLDUIHBW-UZRURVBFSA-N 1 0 423.579 1.770 20 0 HDADRO CN(C(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732135006 1075634473 /nfs/dbraw/zinc/63/44/73/1075634473.db2.gz LNDVBIBJKZGVIN-UHFFFAOYSA-N 1 0 405.520 1.958 20 0 HDADRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NCc3cc4c(cc3OC(F)F)OCO4)[C@H]2C1 ZINC000676669337 1075637687 /nfs/dbraw/zinc/63/76/87/1075637687.db2.gz SIHBSKFPOIRIQP-AAEUAGOBSA-N 1 0 411.405 1.186 20 0 HDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000732158748 1075641464 /nfs/dbraw/zinc/64/14/64/1075641464.db2.gz CWQWAQSTNYCIHH-KRWDZBQOSA-N 1 0 415.943 1.431 20 0 HDADRO C[C@H]1NC(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)=NN(c2ccccc2)C1=O ZINC000732136038 1075645314 /nfs/dbraw/zinc/64/53/14/1075645314.db2.gz ZFGOJKQNVYSNDD-MRXNPFEDSA-N 1 0 409.490 1.928 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000732139322 1075647158 /nfs/dbraw/zinc/64/71/58/1075647158.db2.gz NGLQTUSQNLIFJU-WFKXUCKUSA-N 1 0 412.534 1.780 20 0 HDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000732149001 1075649408 /nfs/dbraw/zinc/64/94/08/1075649408.db2.gz ADKOYBRSOASTAG-CYBMUJFWSA-N 1 0 403.552 1.570 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000732150013 1075650346 /nfs/dbraw/zinc/65/03/46/1075650346.db2.gz UEVMRBSAUMGLKH-AMRJIULGSA-N 1 0 407.478 1.293 20 0 HDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)CC2)cc1 ZINC000429458432 1075651096 /nfs/dbraw/zinc/65/10/96/1075651096.db2.gz YEFOUGYPGIKFIP-POAQFYNOSA-N 1 0 400.523 1.922 20 0 HDADRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1=O ZINC000429459575 1075657452 /nfs/dbraw/zinc/65/74/52/1075657452.db2.gz YGEGMWZMKANOPG-POAQFYNOSA-N 1 0 400.523 1.970 20 0 HDADRO CC(C)[NH+]1CCC(C(=O)Nc2cccc(OCc3nc(N)nc(N(C)C)n3)c2)CC1 ZINC000469046270 1075659854 /nfs/dbraw/zinc/65/98/54/1075659854.db2.gz QUINVKJLGJDIEK-UHFFFAOYSA-N 1 0 413.526 2.158 20 0 HDADRO Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000676723295 1075660034 /nfs/dbraw/zinc/66/00/34/1075660034.db2.gz 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CCOC(=O)Cc1cccc(S(=O)(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000509433400 1075671151 /nfs/dbraw/zinc/67/11/51/1075671151.db2.gz CYQJHWFELKYQJV-GOSISDBHSA-N 1 0 409.552 1.193 20 0 HDADRO Cc1n[nH]cc1S(=O)(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000732219973 1075672922 /nfs/dbraw/zinc/67/29/22/1075672922.db2.gz QNFGOOQEQZZDSK-UHFFFAOYSA-N 1 0 408.524 1.686 20 0 HDADRO COCc1ncc(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)c(N)n1 ZINC000493972619 1075674665 /nfs/dbraw/zinc/67/46/65/1075674665.db2.gz YLGNRXFACDSLSM-UHFFFAOYSA-N 1 0 412.494 1.197 20 0 HDADRO O=C(NCc1nncn1C1CC1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000429462687 1075677097 /nfs/dbraw/zinc/67/70/97/1075677097.db2.gz ROJLJYJCFYYXFJ-UHFFFAOYSA-N 1 0 414.535 1.459 20 0 HDADRO O=C(NCCCCN1C(=O)c2ccccc2C1=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000732246354 1075679433 /nfs/dbraw/zinc/67/94/33/1075679433.db2.gz RDTOAUQJBJWXQA-HOTGVXAUSA-N 1 0 400.479 1.225 20 0 HDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000732254086 1075680519 /nfs/dbraw/zinc/68/05/19/1075680519.db2.gz SINCTXXKOZVIPP-RHSMWYFYSA-N 1 0 411.344 1.778 20 0 HDADRO Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N[C@H](C)CN3CC[NH+](C)CC3)cc2F)n1 ZINC000429464071 1075680808 /nfs/dbraw/zinc/68/08/08/1075680808.db2.gz VGIIBCUQUCCNAU-OAHLLOKOSA-N 1 0 416.501 1.319 20 0 HDADRO CCOc1ccc(S(=O)(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000509250418 1075692919 /nfs/dbraw/zinc/69/29/19/1075692919.db2.gz VCJFKXLZAHSNIQ-MRXNPFEDSA-N 1 0 418.519 1.978 20 0 HDADRO COc1cccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1 ZINC001084996164 1075695344 /nfs/dbraw/zinc/69/53/44/1075695344.db2.gz UCQAXDGAAIOYJF-RQBDKXJUSA-N 1 0 401.507 1.565 20 0 HDADRO O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)OCC[NH+]1CCCCC1 ZINC000923561644 1075696582 /nfs/dbraw/zinc/69/65/82/1075696582.db2.gz IDSQYGZLDPUSRD-UHFFFAOYSA-N 1 0 412.508 1.545 20 0 HDADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)CC2)C[C@@H](C)O1 ZINC000542349718 1075701428 /nfs/dbraw/zinc/70/14/28/1075701428.db2.gz JWAHKYRKFHYQQP-HZPDHXFCSA-N 1 0 420.558 1.710 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000429466573 1075701985 /nfs/dbraw/zinc/70/19/85/1075701985.db2.gz FUHVABLVWMROJS-SFHVURJKSA-N 1 0 401.555 1.758 20 0 HDADRO C[NH+](C)CC1CCN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000509251309 1075703293 /nfs/dbraw/zinc/70/32/93/1075703293.db2.gz MKSSAWNRYGMPQK-MRXNPFEDSA-N 1 0 414.597 1.742 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000429466344 1075704211 /nfs/dbraw/zinc/70/42/11/1075704211.db2.gz IXKAFLBZTLCCMO-KRWDZBQOSA-N 1 0 411.506 1.351 20 0 HDADRO CCc1nn(C)c(OC)c1CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543685061 1075704230 /nfs/dbraw/zinc/70/42/30/1075704230.db2.gz VSIXUEGBXBSMRG-UHFFFAOYSA-N 1 0 406.575 1.550 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000545907559 1075704729 /nfs/dbraw/zinc/70/47/29/1075704729.db2.gz DSIRUBNVHQKFPY-NQIIRXRSSA-N 1 0 417.513 2.507 20 0 HDADRO Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)c(C)c1 ZINC000537872542 1075707086 /nfs/dbraw/zinc/70/70/86/1075707086.db2.gz GIUKVZUSJAHMTL-KRWDZBQOSA-N 1 0 421.505 1.977 20 0 HDADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000438334177 1075711072 /nfs/dbraw/zinc/71/10/72/1075711072.db2.gz WXWPCCPTDAPGEF-QZTJIDSGSA-N 1 0 406.575 2.093 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 ZINC000429472852 1075711285 /nfs/dbraw/zinc/71/12/85/1075711285.db2.gz WWMOBVGDAKGUOK-UHOSZYNNSA-N 1 0 421.586 1.265 20 0 HDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C1 ZINC000438120008 1075711409 /nfs/dbraw/zinc/71/14/09/1075711409.db2.gz VENLPZLVMGGBPD-QZTJIDSGSA-N 1 0 412.538 2.139 20 0 HDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C1 ZINC000468708661 1075711481 /nfs/dbraw/zinc/71/14/81/1075711481.db2.gz ZQCMBZDONSJFJD-QZTJIDSGSA-N 1 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C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000541698853 1075720632 /nfs/dbraw/zinc/72/06/32/1075720632.db2.gz HBBZQQZZSDVOSV-UHFFFAOYSA-N 1 0 406.531 1.681 20 0 HDADRO Cc1cccn2cc(CC(=O)OCC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)nc12 ZINC000732359326 1075722907 /nfs/dbraw/zinc/72/29/07/1075722907.db2.gz VLJSFXFCUHOJQW-SFHVURJKSA-N 1 0 402.495 1.201 20 0 HDADRO C[C@@H]1C[C@H]1[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Cl)cc1 ZINC000446745783 1075723993 /nfs/dbraw/zinc/72/39/93/1075723993.db2.gz QHXPZJOFSYLKBY-QBIMZIAESA-N 1 0 403.914 2.550 20 0 HDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446713097 1075727899 /nfs/dbraw/zinc/72/78/99/1075727899.db2.gz WZMMSTBBCBNODK-UHFFFAOYSA-N 1 0 422.327 1.847 20 0 HDADRO CCn1nc(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)ccc1=O ZINC000732374901 1075729012 /nfs/dbraw/zinc/72/90/12/1075729012.db2.gz VRVDSTNSKGGOSD-UHFFFAOYSA-N 1 0 412.490 1.463 20 0 HDADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1NC(=O)C(C)(C)C ZINC000429473288 1075730710 /nfs/dbraw/zinc/73/07/10/1075730710.db2.gz UYQATBCTXABQRD-MRXNPFEDSA-N 1 0 417.554 1.670 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000446806441 1075732124 /nfs/dbraw/zinc/73/21/24/1075732124.db2.gz OSJSEEHZFYMVRL-LJQANCHMSA-N 1 0 401.486 2.570 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cc(F)ccc2OCC(F)(F)F)n1 ZINC000556181167 1075732972 /nfs/dbraw/zinc/73/29/72/1075732972.db2.gz AYEPJWWOJIXUSK-UHFFFAOYSA-N 1 0 417.363 2.102 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(C[S@@](=O)C(C)(C)C)c2)n1 ZINC000579782286 1075733535 /nfs/dbraw/zinc/73/35/35/1075733535.db2.gz XSGRDXXZWWQXTJ-LJAQVGFWSA-N 1 0 419.551 2.069 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(Cl)c2Br)n1 ZINC000582596333 1075733571 /nfs/dbraw/zinc/73/35/71/1075733571.db2.gz HSNIDQXRNZGQIR-UHFFFAOYSA-N 1 0 414.691 2.438 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccccc2C(=O)OC(C)(C)C)n1 ZINC000551179515 1075733784 /nfs/dbraw/zinc/73/37/84/1075733784.db2.gz DAVRUFWXBMPRLT-UHFFFAOYSA-N 1 0 401.467 1.977 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)n1 ZINC000438700702 1075737710 /nfs/dbraw/zinc/73/77/10/1075737710.db2.gz UCVCEMHNXSNGFV-SFHVURJKSA-N 1 0 420.945 2.293 20 0 HDADRO CN1C(=O)C[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000484320106 1075739042 /nfs/dbraw/zinc/73/90/42/1075739042.db2.gz ULNJQFGOOLKZJP-MAUKXSAKSA-N 1 0 406.437 1.816 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)n1 ZINC000523069343 1075739627 /nfs/dbraw/zinc/73/96/27/1075739627.db2.gz NOPOYGJUHKUGRL-MRXNPFEDSA-N 1 0 409.494 1.812 20 0 HDADRO COC(=O)Cc1ccc(S(=O)(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000543687889 1075740714 /nfs/dbraw/zinc/74/07/14/1075740714.db2.gz VKNLJCZCINOOSP-UHFFFAOYSA-N 1 0 423.579 1.440 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000429476102 1075741689 /nfs/dbraw/zinc/74/16/89/1075741689.db2.gz OVRJWCOVHFXWLY-LLVKDONJSA-N 1 0 401.280 1.279 20 0 HDADRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Nc2ccn(CC(F)(F)F)n2)cc1 ZINC000448307994 1075742354 /nfs/dbraw/zinc/74/23/54/1075742354.db2.gz ORYBWMKATBIUSM-ZDUSSCGKSA-N 1 0 401.389 2.391 20 0 HDADRO CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000491248318 1075746217 /nfs/dbraw/zinc/74/62/17/1075746217.db2.gz UHKRVDSAOHBKLZ-UHFFFAOYSA-N 1 0 420.539 1.722 20 0 HDADRO CN(c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1F)C1CCCCC1 ZINC000732485427 1075747878 /nfs/dbraw/zinc/74/78/78/1075747878.db2.gz QONWTYUQDUJCCZ-SFHVURJKSA-N 1 0 419.545 1.895 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)c1cccc(F)c1 ZINC000504549337 1075748070 /nfs/dbraw/zinc/74/80/70/1075748070.db2.gz UQSGDLXRICWMIH-SFHVURJKSA-N 1 0 410.453 1.823 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507841395 1075748665 /nfs/dbraw/zinc/74/86/65/1075748665.db2.gz PSZTXLBYURQLCB-UHFFFAOYSA-N 1 0 415.542 1.217 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2CN2CCCC2=O)CC1 ZINC000732462515 1075751620 /nfs/dbraw/zinc/75/16/20/1075751620.db2.gz FWZZSNPMJJEGPQ-SFHVURJKSA-N 1 0 407.559 1.116 20 0 HDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000732463848 1075751844 /nfs/dbraw/zinc/75/18/44/1075751844.db2.gz SSGJYVJCBKOCKQ-KRWDZBQOSA-N 1 0 403.527 1.307 20 0 HDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000732465375 1075752932 /nfs/dbraw/zinc/75/29/32/1075752932.db2.gz DKKZCIXFKHGJMR-MRXNPFEDSA-N 1 0 412.556 1.996 20 0 HDADRO CN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732465998 1075753504 /nfs/dbraw/zinc/75/35/04/1075753504.db2.gz PBUWFUADNUUERO-IIDMSEBBSA-N 1 0 406.914 1.950 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000509264910 1075759232 /nfs/dbraw/zinc/75/92/32/1075759232.db2.gz SFFRLLGSPDVNOT-UHFFFAOYSA-N 1 0 403.570 1.480 20 0 HDADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000429478504 1075760255 /nfs/dbraw/zinc/76/02/55/1075760255.db2.gz 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CC(C)NS(=O)(=O)c1ccc(NNC(=S)NCC(C)(C)C[NH+](C)C)nc1 ZINC000727073599 1076045922 /nfs/dbraw/zinc/04/59/22/1076045922.db2.gz FMOWJXGPRICHEX-UHFFFAOYSA-N 1 0 402.590 1.147 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000733359056 1076051623 /nfs/dbraw/zinc/05/16/23/1076051623.db2.gz XIRICDIMVDGBFC-PXNSSMCTSA-N 1 0 414.550 1.919 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000733359055 1076051729 /nfs/dbraw/zinc/05/17/29/1076051729.db2.gz XIRICDIMVDGBFC-FXAWDEMLSA-N 1 0 414.550 1.919 20 0 HDADRO CN1N=C(C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCC1=O ZINC000733425078 1076067019 /nfs/dbraw/zinc/06/70/19/1076067019.db2.gz YBADXZFEXNCNDF-UHFFFAOYSA-N 1 0 404.492 1.325 20 0 HDADRO NS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)sc1Br ZINC000727177717 1076068016 /nfs/dbraw/zinc/06/80/16/1076068016.db2.gz DIXHNFWPDIJZDQ-VIFPVBQESA-N 1 0 408.343 1.468 20 0 HDADRO CS(=O)(=O)NCCNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccccc1 ZINC000727161747 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CCOC(=O)C1=C(CN2CC[C@@H](C[NH+](C)C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000733614649 1076130319 /nfs/dbraw/zinc/13/03/19/1076130319.db2.gz SZFVUQMQRBSPCN-YWZLYKJASA-N 1 0 416.522 1.750 20 0 HDADRO CCOC(=O)N1CCN(S(=O)(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000727460889 1076134281 /nfs/dbraw/zinc/13/42/81/1076134281.db2.gz ZMRHYDYWYHJERV-UHFFFAOYSA-N 1 0 412.556 1.589 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000733641509 1076135987 /nfs/dbraw/zinc/13/59/87/1076135987.db2.gz LEQQBFYRZBZCBB-UHFFFAOYSA-N 1 0 417.554 1.929 20 0 HDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000733667966 1076148644 /nfs/dbraw/zinc/14/86/44/1076148644.db2.gz AGAWJPNKKLYKFA-GOSISDBHSA-N 1 0 402.495 1.958 20 0 HDADRO CO[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)C(F)(F)F ZINC000733673994 1076157065 /nfs/dbraw/zinc/15/70/65/1076157065.db2.gz NVVSUSUTABNUCQ-HNNXBMFYSA-N 1 0 402.417 1.461 20 0 HDADRO CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 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HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C(=O)NC)c1Br ZINC000498113741 1076353634 /nfs/dbraw/zinc/35/36/34/1076353634.db2.gz IMJRQCWHDIXTLU-LLVKDONJSA-N 1 0 413.316 1.594 20 0 HDADRO CS(=O)(=O)NCCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000027335398 1076358867 /nfs/dbraw/zinc/35/88/67/1076358867.db2.gz UPXSGCYAKFLMPK-SFHVURJKSA-N 1 0 405.520 1.938 20 0 HDADRO CC[NH+]1CCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 ZINC000027270630 1076358920 /nfs/dbraw/zinc/35/89/20/1076358920.db2.gz KTINEYPXOYFFNT-UHFFFAOYSA-N 1 0 420.579 1.388 20 0 HDADRO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027575898 1076360333 /nfs/dbraw/zinc/36/03/33/1076360333.db2.gz PLDRKFFPFSRBHT-KRWDZBQOSA-N 1 0 416.547 1.521 20 0 HDADRO Cc1nccn1-c1ccc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)cn1 ZINC000729882960 1076376437 /nfs/dbraw/zinc/37/64/37/1076376437.db2.gz WJZXOJNHOSVKQK-UHFFFAOYSA-N 1 0 412.494 1.275 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C(=O)OCC(C)C)CC2)CC1=O 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GGPVOHIHUSLWDO-INIZCTEOSA-N 1 0 422.570 1.692 20 0 HDADRO CCOC(=O)c1cc(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)ccc1F ZINC000730266395 1076507779 /nfs/dbraw/zinc/50/77/79/1076507779.db2.gz FVAYXPFAHARLOD-UHFFFAOYSA-N 1 0 401.504 1.308 20 0 HDADRO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000730266575 1076507963 /nfs/dbraw/zinc/50/79/63/1076507963.db2.gz YJHFUKDBVPLEBX-LSDHHAIUSA-N 1 0 410.559 1.724 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)/C=C\c1ccccc1Br ZINC000730269014 1076508816 /nfs/dbraw/zinc/50/88/16/1076508816.db2.gz LNYLLOYOVALBGE-VDBIKXPHSA-N 1 0 402.358 1.975 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000730286408 1076514758 /nfs/dbraw/zinc/51/47/58/1076514758.db2.gz MYWXASWHMXRQPE-ZDUSSCGKSA-N 1 0 408.959 1.639 20 0 HDADRO O=C(CCn1cc[nH]c(=O)c1=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000730286391 1076514871 /nfs/dbraw/zinc/51/48/71/1076514871.db2.gz MFKUFGXGKXBVBX-UHFFFAOYSA-N 1 0 404.898 1.609 20 0 HDADRO O=C(Nc1c(F)cccc1-n1cccn1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000730387084 1076566831 /nfs/dbraw/zinc/56/68/31/1076566831.db2.gz QADGKJLGOYIWJI-MRXNPFEDSA-N 1 0 415.469 1.663 20 0 HDADRO CC(C)[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)C[C@H](C)O ZINC000730420510 1076575694 /nfs/dbraw/zinc/57/56/94/1076575694.db2.gz IJGMOJXKXQXMLD-INIZCTEOSA-N 1 0 424.567 1.967 20 0 HDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000730538868 1076585537 /nfs/dbraw/zinc/58/55/37/1076585537.db2.gz ASYBAIWGOLUWFF-HSALFYBXSA-N 1 0 421.563 1.208 20 0 HDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000730547862 1076598408 /nfs/dbraw/zinc/59/84/08/1076598408.db2.gz KDNGTHFXOLRDND-IBGZPJMESA-N 1 0 412.469 1.231 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1N(C)C ZINC000730683752 1076640021 /nfs/dbraw/zinc/64/00/21/1076640021.db2.gz LBCVMIBYXQEYIP-LJQANCHMSA-N 1 0 401.555 1.628 20 0 HDADRO COC(=O)NCCCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000730748924 1076646684 /nfs/dbraw/zinc/64/66/84/1076646684.db2.gz BFGRMPYOVHMBJE-SFHVURJKSA-N 1 0 403.527 1.578 20 0 HDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]2C[C@@H]2C)C1 ZINC000730789596 1076658826 /nfs/dbraw/zinc/65/88/26/1076658826.db2.gz PWOHHIQFBHRNHR-SOUVJXGZSA-N 1 0 405.495 1.749 20 0 HDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1 ZINC000730790527 1076659320 /nfs/dbraw/zinc/65/93/20/1076659320.db2.gz ZHDGFPWMQWEORN-CQSZACIVSA-N 1 0 417.959 1.821 20 0 HDADRO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](CCOC)C2)c1 ZINC000730790526 1076659389 /nfs/dbraw/zinc/65/93/89/1076659389.db2.gz ZHDGFPWMQWEORN-AWEZNQCLSA-N 1 0 417.959 1.821 20 0 HDADRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000730841579 1076670832 /nfs/dbraw/zinc/67/08/32/1076670832.db2.gz KXVIJEALKJXKDQ-UHFFFAOYSA-N 1 0 403.932 1.607 20 0 HDADRO CCOC(=O)N1CCN(C(=O)C[NH2+]C2(c3ccc(OC)cc3)CCOCC2)CC1 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ZINC001164748905 720951607 /nfs/dbraw/zinc/95/16/07/720951607.db2.gz FMOQTWFKMAWXDK-UHFFFAOYSA-N 1 0 420.901 1.737 20 0 HDADRO CCCNC(=O)c1cccnc1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164754909 720962842 /nfs/dbraw/zinc/96/28/42/720962842.db2.gz ZGTLQBFGJDMEDA-UHFFFAOYSA-N 1 0 400.483 1.064 20 0 HDADRO COC(=O)c1cc2ccccc2c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164753177 720965135 /nfs/dbraw/zinc/96/51/35/720965135.db2.gz ASUSVRCWHFDJGV-UHFFFAOYSA-N 1 0 423.473 1.864 20 0 HDADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(C(N)=O)cc3ccccc31)CC2 ZINC001164754852 720965348 /nfs/dbraw/zinc/96/53/48/720965348.db2.gz YNZSJPLZCJSECS-UHFFFAOYSA-N 1 0 408.462 1.176 20 0 HDADRO O=C(c1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1)N1CCOCC1 ZINC001164869945 721050495 /nfs/dbraw/zinc/05/04/95/721050495.db2.gz URUCBFXNLGWQJU-SFTDATJTSA-N 1 0 423.517 1.429 20 0 HDADRO Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)n2)n1 ZINC001164774535 721053800 /nfs/dbraw/zinc/05/38/00/721053800.db2.gz VUCGAHNYQBQRRC-WOJBJXKFSA-N 1 0 406.534 1.917 20 0 HDADRO NC(=O)c1cc(F)c(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867792 721066444 /nfs/dbraw/zinc/06/64/44/721066444.db2.gz KLRXDRHIOBFZEF-KBPBESRZSA-N 1 0 405.861 1.848 20 0 HDADRO NS(=O)(=O)c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164866123 721078024 /nfs/dbraw/zinc/07/80/24/721078024.db2.gz RGOKDCQYDQYYRS-GJZGRUSLSA-N 1 0 423.926 1.257 20 0 HDADRO CCNS(=O)(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164863537 721108446 /nfs/dbraw/zinc/10/84/46/721108446.db2.gz CTGZJZCKZXVSKK-MSOLQXFVSA-N 1 0 417.535 1.255 20 0 HDADRO CON(C)C(=O)c1cc(C)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164872763 721123624 /nfs/dbraw/zinc/12/36/24/721123624.db2.gz IHCONHBMTZAPIA-OALUTQOASA-N 1 0 411.506 1.898 20 0 HDADRO NS(=O)(=O)c1ccc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879929 721170104 /nfs/dbraw/zinc/17/01/04/721170104.db2.gz VJYFTHPPKRXEKH-LSDHHAIUSA-N 1 0 423.926 1.257 20 0 HDADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(C)CC5)C[C@H]3C2)cn1 ZINC001164767231 721236320 /nfs/dbraw/zinc/23/63/20/721236320.db2.gz WKKPCAHCSCDROS-HZPDHXFCSA-N 1 0 401.946 1.810 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nnc(Cl)cc3Cl)CC2)C1 ZINC001164879328 721263357 /nfs/dbraw/zinc/26/33/57/721263357.db2.gz XZLLUAYAMPKAKN-UHFFFAOYSA-N 1 0 402.326 1.790 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)cn3)CC2)C1 ZINC001164868841 721263833 /nfs/dbraw/zinc/26/38/33/721263833.db2.gz FNXCJILRDQPAOM-UHFFFAOYSA-N 1 0 417.888 1.682 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nnc(Cl)c4ccncc43)CC2)C1 ZINC001164869368 721265055 /nfs/dbraw/zinc/26/50/55/721265055.db2.gz LXRSQLJYYMBCPY-UHFFFAOYSA-N 1 0 418.929 1.685 20 0 HDADRO CSc1ncc(Cl)c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164870286 721265572 /nfs/dbraw/zinc/26/55/72/721265572.db2.gz VDYGWJSNCAHNDW-UHFFFAOYSA-N 1 0 413.975 1.859 20 0 HDADRO COC(=O)c1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)ncc1F ZINC001164869911 721267729 /nfs/dbraw/zinc/26/77/29/721267729.db2.gz UPSNJYKENMKSQV-UHFFFAOYSA-N 1 0 408.474 1.014 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)nc4ncsc43)CC2)C1 ZINC001164869896 721274685 /nfs/dbraw/zinc/27/46/85/721274685.db2.gz SPPQBTAUMVLTMX-UHFFFAOYSA-N 1 0 424.958 1.747 20 0 HDADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164767859 721294546 /nfs/dbraw/zinc/29/45/46/721294546.db2.gz AGHKCSZQQAYYGD-UHFFFAOYSA-N 1 0 401.511 1.412 20 0 HDADRO C[N@H+](Cc1ccc(N2C[C@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)nc1)C1CC1 ZINC001164882484 721338085 /nfs/dbraw/zinc/33/80/85/721338085.db2.gz FHNXQZWZDOYQFF-CVDCTZTESA-N 1 0 414.550 1.768 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CCC[C@@]4(CCCCN4S(C)(=O)=O)C3)nn2)CC1 ZINC001164885511 721374935 /nfs/dbraw/zinc/37/49/35/721374935.db2.gz JEUXJRJYRYTVCE-IBGZPJMESA-N 1 0 408.572 1.013 20 0 HDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164886770 721382704 /nfs/dbraw/zinc/38/27/04/721382704.db2.gz GDXNILMHEHFHIL-LIRRHRJNSA-N 1 0 405.934 1.772 20 0 HDADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5cnc(F)cc54)C3)O2)CC1 ZINC001164890550 721397368 /nfs/dbraw/zinc/39/73/68/721397368.db2.gz OEYXLGGLJZIBEA-HRAATJIYSA-N 1 0 400.502 1.929 20 0 HDADRO COC(=O)c1cc(OC)cnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892128 721399575 /nfs/dbraw/zinc/39/95/75/721399575.db2.gz RSNLYHUVECLFLY-JTSKRJEESA-N 1 0 418.538 1.642 20 0 HDADRO COC(=O)c1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1F ZINC001164893047 721400542 /nfs/dbraw/zinc/40/05/42/721400542.db2.gz ZXBBGHJHLUTESU-KKSFZXQISA-N 1 0 406.502 1.773 20 0 HDADRO COC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1F ZINC001164893037 721400602 /nfs/dbraw/zinc/40/06/02/721400602.db2.gz ZXBBGHJHLUTESU-HRAATJIYSA-N 1 0 406.502 1.773 20 0 HDADRO COc1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(SC)n1 ZINC001164889943 721411271 /nfs/dbraw/zinc/41/12/71/721411271.db2.gz RXAXSTICUSANGW-JXFKEZNVSA-N 1 0 407.584 1.973 20 0 HDADRO CCOC(=O)Cc1ccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164890619 721412408 /nfs/dbraw/zinc/41/24/08/721412408.db2.gz UESUXOJRGBNNGK-NFBKMPQASA-N 1 0 416.566 1.953 20 0 HDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4C(N)=O)C3)O2)CC1 ZINC001164888329 721413230 /nfs/dbraw/zinc/41/32/30/721413230.db2.gz OFYKVLAUEMXBEX-YWZLYKJASA-N 1 0 407.946 1.599 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5c(n4)NC(=O)CO5)C3)O2)CC1 ZINC001164888369 721417612 /nfs/dbraw/zinc/41/76/12/721417612.db2.gz OLGMLQQXHBLKGX-IERDGZPVSA-N 1 0 401.511 1.178 20 0 HDADRO CC(C)c1nc(N(C)C)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164888296 721420353 /nfs/dbraw/zinc/42/03/53/721420353.db2.gz NYVVZDODTONKHZ-GCJKJVERSA-N 1 0 417.602 1.826 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc5c4CNC5=O)C3)O2)CC1 ZINC001164888288 721421450 /nfs/dbraw/zinc/42/14/50/721421450.db2.gz NYVUEFWNPZCIRZ-VFNWGFHPSA-N 1 0 419.957 1.744 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cncc(N5CCCC5)n4)C3)O2)CC1 ZINC001164897721 721424343 /nfs/dbraw/zinc/42/43/43/721424343.db2.gz UNUKOPMXAUSCTL-KNQAVFIVSA-N 1 0 400.571 1.842 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(S(C)(=O)=O)cn4)C3)O2)CC1 ZINC001164896789 721429443 /nfs/dbraw/zinc/42/94/43/721429443.db2.gz RZUWPWJWVWSIDD-YLJYHZDGSA-N 1 0 408.568 1.251 20 0 HDADRO COCCOc1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164892344 721436897 /nfs/dbraw/zinc/43/68/97/721436897.db2.gz IEYSUEAMESFAHL-NQIIRXRSSA-N 1 0 405.543 1.267 20 0 HDADRO COC(=O)c1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164893673 721441986 /nfs/dbraw/zinc/44/19/86/721441986.db2.gz JXMLSFRTGJWIBD-YWZLYKJASA-N 1 0 423.945 1.682 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4c(Cl)nccc4C(N)=O)C3)O2)CC1 ZINC001164893101 721446131 /nfs/dbraw/zinc/44/61/31/721446131.db2.gz JAAIWBOVADSTHN-QRWLVFNGSA-N 1 0 407.946 1.599 20 0 HDADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4c(Cl)nccc4C(N)=O)C3)O2)CC1 ZINC001164893099 721446569 /nfs/dbraw/zinc/44/65/69/721446569.db2.gz JAAIWBOVADSTHN-MGPUTAFESA-N 1 0 407.946 1.599 20 0 HDADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C(=O)OC)n1)CC2 ZINC001164790199 721454698 /nfs/dbraw/zinc/45/46/98/721454698.db2.gz XHTMZXAALSWQPY-SFHVURJKSA-N 1 0 418.538 1.997 20 0 HDADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncncc1C(=O)OC)CC2 ZINC001164788659 721460339 /nfs/dbraw/zinc/46/03/39/721460339.db2.gz VJEYTBYMLZYRII-SFHVURJKSA-N 1 0 418.538 1.997 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CCCC[C@]34CC(=O)N(Cc3cccnc3)C4)nn2)CC1 ZINC001164893949 721474419 /nfs/dbraw/zinc/47/44/19/721474419.db2.gz KMBAIUFZEIFWMM-HSZRJFAPSA-N 1 0 421.549 1.785 20 0 HDADRO COC(=O)c1ccc2ccnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1 ZINC001164794476 721512599 /nfs/dbraw/zinc/51/25/99/721512599.db2.gz QRXWSVRQTDCRCG-UHFFFAOYSA-N 1 0 420.517 1.986 20 0 HDADRO CNC(=O)c1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ccc1Cl ZINC001164797847 721515803 /nfs/dbraw/zinc/51/58/03/721515803.db2.gz OXVYRKFIUGOXMH-UHFFFAOYSA-N 1 0 403.918 1.059 20 0 HDADRO COC(=O)c1cccc2nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)ccc21 ZINC001164795323 721520494 /nfs/dbraw/zinc/52/04/94/721520494.db2.gz MMQVCXBNPKTEKK-UHFFFAOYSA-N 1 0 420.517 1.986 20 0 HDADRO C[C@H]1CCCN(c2cc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)ncn2)C1 ZINC001164795835 721520965 /nfs/dbraw/zinc/52/09/65/721520965.db2.gz SXQMNJVXKSMHJW-SFHVURJKSA-N 1 0 410.570 1.677 20 0 HDADRO CCNS(=O)(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907597 721543088 /nfs/dbraw/zinc/54/30/88/721543088.db2.gz NGLQJYIIGALJSD-WMZOPIPTSA-N 1 0 420.510 1.861 20 0 HDADRO CNS(=O)(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903055 721543570 /nfs/dbraw/zinc/54/35/70/721543570.db2.gz BYKUBENGDUGQMC-WBVHZDCISA-N 1 0 406.483 1.471 20 0 HDADRO CN(Cc1cccnc1)[C@@H]1CN(c2cncc(N3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164809390 721558583 /nfs/dbraw/zinc/55/85/83/721558583.db2.gz WVMTVHDANVJEQW-KNKQGSTJSA-N 1 0 409.538 1.149 20 0 HDADRO Cn1cc(C(=O)N[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)[C@@H]3CCCO[C@@H]23)cn1 ZINC001165014353 721757876 /nfs/dbraw/zinc/75/78/76/721757876.db2.gz YVAGAXDIJABWRO-SBHAEUEKSA-N 1 0 410.522 1.577 20 0 HDADRO Cn1cc(C(=O)N[C@@H]2CN(c3ncccc3C[NH+]3CCCC3)[C@H]3CCCO[C@H]23)cn1 ZINC001165013512 721758176 /nfs/dbraw/zinc/75/81/76/721758176.db2.gz MZYQNGWAJNNPRZ-HSALFYBXSA-N 1 0 410.522 1.577 20 0 HDADRO CN1CCN(c2nccc(N(Cc3ncn4c3C[NH2+]CCC4)c3ncccn3)n2)CC1 ZINC001165013792 721766707 /nfs/dbraw/zinc/76/67/07/721766707.db2.gz AIVJITJABSFRSJ-UHFFFAOYSA-N 1 0 420.525 1.047 20 0 HDADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(N)(=O)=O)ccn3)C[C@@H]21 ZINC001165024106 721827698 /nfs/dbraw/zinc/82/76/98/721827698.db2.gz JSWWILXJIMBASI-AYOQOUSVSA-N 1 0 401.536 1.861 20 0 HDADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)nn2)CC1 ZINC001164925331 721837883 /nfs/dbraw/zinc/83/78/83/721837883.db2.gz OMBLEDJNKZPWCD-XMSQKQJNSA-N 1 0 410.522 1.293 20 0 HDADRO COCCN1CCO[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@H]2C1=O ZINC001164919856 721843701 /nfs/dbraw/zinc/84/37/01/721843701.db2.gz DJWYSYCZTJHASE-MOPGFXCFSA-N 1 0 418.538 1.256 20 0 HDADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc2ccsc2c(N2CCOCC2)n1 ZINC001164925769 721852994 /nfs/dbraw/zinc/85/29/94/721852994.db2.gz FYUXFCJCURCQLU-SJORKVTESA-N 1 0 402.568 1.743 20 0 HDADRO COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)nn2)CC1 ZINC001164922699 721869822 /nfs/dbraw/zinc/86/98/22/721869822.db2.gz HSZLBBJQXMMAOV-QZTJIDSGSA-N 1 0 402.543 1.081 20 0 HDADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1 ZINC001164931489 721881246 /nfs/dbraw/zinc/88/12/46/721881246.db2.gz FTPNYRHPYKNDOL-IAGOWNOFSA-N 1 0 400.527 1.127 20 0 HDADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1 ZINC001164934890 721890634 /nfs/dbraw/zinc/89/06/34/721890634.db2.gz TWHVJLBRAHIGKX-KGLIPLIRSA-N 1 0 422.929 1.898 20 0 HDADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(S(N)(=O)=O)ccn4)CC3)C2)cc1 ZINC001164940058 721931809 /nfs/dbraw/zinc/93/18/09/721931809.db2.gz PYKYOKITWHOSIH-UHFFFAOYSA-N 1 0 416.547 1.909 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CCO[C@H]4[C@H]3CC[C@@H]4Oc3ncccc3F)nn2)CC1 ZINC001164962709 722028033 /nfs/dbraw/zinc/02/80/33/722028033.db2.gz RJZLBHFCULFEEA-UWVAXJGDSA-N 1 0 414.485 1.578 20 0 HDADRO NC(=O)c1cc(Cl)cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164984377 722103307 /nfs/dbraw/zinc/10/33/07/722103307.db2.gz SWZWRTREIVSBGU-QAPCUYQASA-N 1 0 401.898 1.956 20 0 HDADRO COC(=O)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1OC ZINC001164978203 722103718 /nfs/dbraw/zinc/10/37/18/722103718.db2.gz GDNZEGXEKQASLC-YLJYHZDGSA-N 1 0 412.490 1.999 20 0 HDADRO COC(=O)c1ncnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1OC ZINC001164973162 722158390 /nfs/dbraw/zinc/15/83/90/722158390.db2.gz LMCKNPMZAFWZPJ-SJORKVTESA-N 1 0 413.478 1.394 20 0 HDADRO Cc1nc(CN2CCO[C@@H]3CCN(c4cc5c(nn4)CC[NH2+]C5)CC[C@H]32)cs1 ZINC001164986951 722184067 /nfs/dbraw/zinc/18/40/67/722184067.db2.gz GHUUOVRWNQASPB-RTBURBONSA-N 1 0 400.552 1.757 20 0 HDADRO Cc1cc(N2CCCC2)nc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)[nH+]1 ZINC001164997664 722228683 /nfs/dbraw/zinc/22/86/83/722228683.db2.gz RNYMJACNXGRRDR-UHFFFAOYSA-N 1 0 408.554 1.532 20 0 HDADRO COCCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000429062641 1073497229 /nfs/dbraw/zinc/49/72/29/1073497229.db2.gz UXXSEGPIDNYFSB-HKUYNNGSSA-N 1 0 409.552 1.732 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)CC2)C1 ZINC000671399480 1073506239 /nfs/dbraw/zinc/50/62/39/1073506239.db2.gz TVGPOXLYMPXFPA-OAQYLSRUSA-N 1 0 413.566 1.010 20 0 HDADRO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001299281973 1073515037 /nfs/dbraw/zinc/51/50/37/1073515037.db2.gz VOUAQTDANVEDQV-SJLPKXTDSA-N 1 0 412.575 1.983 20 0 HDADRO COc1ccnc(OC)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001004677846 1073524349 /nfs/dbraw/zinc/52/43/49/1073524349.db2.gz AELPHDUJUMZYNB-QCODTGAPSA-N 1 0 402.495 1.301 20 0 HDADRO CCC[N@H+](CC)Cc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000625163169 1073527033 /nfs/dbraw/zinc/52/70/33/1073527033.db2.gz GIBRBVNRFMEORZ-UHFFFAOYSA-N 1 0 410.584 1.226 20 0 HDADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000671406960 1073533049 /nfs/dbraw/zinc/53/30/49/1073533049.db2.gz RLQVDODFXZGBAX-SJLPKXTDSA-N 1 0 406.571 1.520 20 0 HDADRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000625179196 1073546666 /nfs/dbraw/zinc/54/66/66/1073546666.db2.gz MGVFNEHXFJHBCE-HXUWFJFHSA-N 1 0 407.580 1.863 20 0 HDADRO COc1ccc(C(=O)NCCCC(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000625182796 1073550853 /nfs/dbraw/zinc/55/08/53/1073550853.db2.gz LKDSRJNFACPHMN-HXUWFJFHSA-N 1 0 403.523 1.919 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCCN2Cc2ccccn2)c1 ZINC000673656320 1073587309 /nfs/dbraw/zinc/58/73/09/1073587309.db2.gz FHNFHRJXAVVUEN-OAQYLSRUSA-N 1 0 409.534 1.654 20 0 HDADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000673668357 1073620881 /nfs/dbraw/zinc/62/08/81/1073620881.db2.gz LGTYSPBLQPTEFY-JPYJTQIMSA-N 1 0 408.502 1.117 20 0 HDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1 ZINC000673670089 1073624798 /nfs/dbraw/zinc/62/47/98/1073624798.db2.gz ZFPFRFBDFFBYCO-HKUYNNGSSA-N 1 0 405.587 1.635 20 0 HDADRO CN(C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670021 1073625462 /nfs/dbraw/zinc/62/54/62/1073625462.db2.gz OIMLDRLBUPUULR-DHIUTWEWSA-N 1 0 414.594 1.904 20 0 HDADRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)c2)CC1 ZINC000673672684 1073628155 /nfs/dbraw/zinc/62/81/55/1073628155.db2.gz KQVOVAOUCHEVFA-UHFFFAOYSA-N 1 0 420.510 1.151 20 0 HDADRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673673690 1073629913 /nfs/dbraw/zinc/62/99/13/1073629913.db2.gz UGEMIDRMJXKRQN-QGZVFWFLSA-N 1 0 414.554 1.462 20 0 HDADRO NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000673673745 1073630029 /nfs/dbraw/zinc/63/00/29/1073630029.db2.gz VYGIRWKXRNVVHA-XMMPIXPASA-N 1 0 407.514 1.669 20 0 HDADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673700898 1073643927 /nfs/dbraw/zinc/64/39/27/1073643927.db2.gz XESYACYFZOSMSV-VQTJNVASSA-N 1 0 400.523 1.237 20 0 HDADRO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000673710408 1073650140 /nfs/dbraw/zinc/65/01/40/1073650140.db2.gz ZPTDOVUPNAOYJC-FSSWDIPSSA-N 1 0 416.566 1.873 20 0 HDADRO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1Cn1cccn1 ZINC000766021429 1073658498 /nfs/dbraw/zinc/65/84/98/1073658498.db2.gz ABHROBOAITZNRS-KNQAVFIVSA-N 1 0 413.566 1.997 20 0 HDADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000766023917 1073660305 /nfs/dbraw/zinc/66/03/05/1073660305.db2.gz QTQVKLXLDZRCHI-MDNUFGMLSA-N 1 0 402.583 1.272 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000673753720 1073688973 /nfs/dbraw/zinc/68/89/73/1073688973.db2.gz QEJGEOJUGCRYKH-MRXNPFEDSA-N 1 0 421.501 1.369 20 0 HDADRO Cc1cccn2cc(CCNC(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)nc12 ZINC000673772935 1073706289 /nfs/dbraw/zinc/70/62/89/1073706289.db2.gz LIYWDQNGLULINN-SFHVURJKSA-N 1 0 400.527 1.427 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000673774415 1073707453 /nfs/dbraw/zinc/70/74/53/1073707453.db2.gz BADQKBWITLGEKA-ZWKOTPCHSA-N 1 0 417.554 1.507 20 0 HDADRO Cc1cccn2cc(CCNC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)nc12 ZINC000673768521 1073711956 /nfs/dbraw/zinc/71/19/56/1073711956.db2.gz HFBQBOCJNCHCRK-UHFFFAOYSA-N 1 0 407.522 1.831 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000673769736 1073713053 /nfs/dbraw/zinc/71/30/53/1073713053.db2.gz UYRFVYDQRRFZSI-IBGZPJMESA-N 1 0 401.555 1.457 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2ccc(Cn3cncn3)cc2)C1 ZINC000673769864 1073714196 /nfs/dbraw/zinc/71/41/96/1073714196.db2.gz MEDPSYSTCFZXFA-FQEVSTJZSA-N 1 0 400.527 1.969 20 0 HDADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000429132409 1073716766 /nfs/dbraw/zinc/71/67/66/1073716766.db2.gz ZSEQTVGUDWKUDY-XIKOKIGWSA-N 1 0 409.533 1.935 20 0 HDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC1 ZINC000509144233 1073723102 /nfs/dbraw/zinc/72/31/02/1073723102.db2.gz NZUYKLXBIAVSMH-LEWJYISDSA-N 1 0 416.566 1.245 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000429133299 1073728343 /nfs/dbraw/zinc/72/83/43/1073728343.db2.gz YLDMTFGZJDLXNW-QGZVFWFLSA-N 1 0 417.554 1.695 20 0 HDADRO COC1CC[NH+](C2(CNC(=O)NCCC3CCS(=O)(=O)CC3)CCCC2)CC1 ZINC000509149115 1073751882 /nfs/dbraw/zinc/75/18/82/1073751882.db2.gz BYZXMXAUFLXILR-UHFFFAOYSA-N 1 0 415.600 1.924 20 0 HDADRO C[C@@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@H+](CCCCCn2cncn2)CCO1 ZINC001108089886 1073766177 /nfs/dbraw/zinc/76/61/77/1073766177.db2.gz PLFHNKHXGQEEIU-FBGLYXIBSA-N 1 0 403.527 1.079 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000501253686 1073767162 /nfs/dbraw/zinc/76/71/62/1073767162.db2.gz NBIAVMLZWJKEJO-YESZJQIVSA-N 1 0 411.568 1.945 20 0 HDADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000429144888 1073775224 /nfs/dbraw/zinc/77/52/24/1073775224.db2.gz UKBABUBOZLUDBG-SFHVURJKSA-N 1 0 405.543 1.791 20 0 HDADRO C[C@@H](CNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1)N1CC[NH+](C)CC1 ZINC000509154345 1073776306 /nfs/dbraw/zinc/77/63/06/1073776306.db2.gz ONHWKKHLZOGYFN-KRWDZBQOSA-N 1 0 411.550 1.909 20 0 HDADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000429148568 1073781880 /nfs/dbraw/zinc/78/18/80/1073781880.db2.gz CWGOEJYXTWZWIS-QFIPXVFZSA-N 1 0 412.490 1.651 20 0 HDADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000429152345 1073791961 /nfs/dbraw/zinc/79/19/61/1073791961.db2.gz WEZHOKAMGXFEBK-UHFFFAOYSA-N 1 0 419.526 1.496 20 0 HDADRO CN(CCCC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC000673840746 1073804787 /nfs/dbraw/zinc/80/47/87/1073804787.db2.gz MOKGHPGOVNFOEY-UHFFFAOYSA-N 1 0 412.375 1.589 20 0 HDADRO CN(c1ccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1)S(C)(=O)=O ZINC000673851202 1073816699 /nfs/dbraw/zinc/81/66/99/1073816699.db2.gz DSCBNFBDUBERLI-UHFFFAOYSA-N 1 0 410.540 1.089 20 0 HDADRO C[C@H](NC(=O)CNC(=O)C[NH2+][C@H](CC(N)=O)C1CCCCC1)c1ccc(F)cc1 ZINC000543493381 1073817738 /nfs/dbraw/zinc/81/77/38/1073817738.db2.gz HUASCGIWZMXXAX-KBXCAEBGSA-N 1 0 406.502 1.533 20 0 HDADRO C[C@@H](NC(=O)CNC(=O)C[NH2+][C@H](CC(N)=O)C1CCCCC1)c1ccc(F)cc1 ZINC000543493384 1073818001 /nfs/dbraw/zinc/81/80/01/1073818001.db2.gz HUASCGIWZMXXAX-RDTXWAMCSA-N 1 0 406.502 1.533 20 0 HDADRO COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)c(OC)c1OC ZINC000673846474 1073821207 /nfs/dbraw/zinc/82/12/07/1073821207.db2.gz PLAIVUCCDOFVPB-MRXNPFEDSA-N 1 0 405.495 1.481 20 0 HDADRO O=C(NCc1csc(-c2ccco2)n1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000673860988 1073829539 /nfs/dbraw/zinc/82/95/39/1073829539.db2.gz WRNTVLBSUFJXMD-UHFFFAOYSA-N 1 0 418.519 1.590 20 0 HDADRO CC[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1OCC(=O)NC ZINC000673871129 1073836706 /nfs/dbraw/zinc/83/67/06/1073836706.db2.gz WDSJWCMVTFLJTF-KRWDZBQOSA-N 1 0 402.499 1.842 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000673872301 1073838009 /nfs/dbraw/zinc/83/80/09/1073838009.db2.gz CPHOPFFXKVTCPL-UHFFFAOYSA-N 1 0 403.527 1.959 20 0 HDADRO COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000673874578 1073840437 /nfs/dbraw/zinc/84/04/37/1073840437.db2.gz QFGPXFDSSDQVDV-HNNXBMFYSA-N 1 0 401.529 1.463 20 0 HDADRO COc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CCC[N@H+](C)C3)CC2)c(OC)c1OC ZINC000673876684 1073843102 /nfs/dbraw/zinc/84/31/02/1073843102.db2.gz SMSXVHZKUXRIIO-HNNXBMFYSA-N 1 0 420.510 1.274 20 0 HDADRO O=C(NC1CCN(CC(F)F)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000673876603 1073843685 /nfs/dbraw/zinc/84/36/85/1073843685.db2.gz HDDIZQPGKXQYIG-HKUYNNGSSA-N 1 0 410.509 1.898 20 0 HDADRO NC(=O)C[C@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)C1CCOCC1 ZINC000543498083 1073848125 /nfs/dbraw/zinc/84/81/25/1073848125.db2.gz SSIUWEBAYZXBFO-AWEZNQCLSA-N 1 0 403.552 1.955 20 0 HDADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000543498824 1073853262 /nfs/dbraw/zinc/85/32/62/1073853262.db2.gz PLNGGFNZSIJDQH-NRFANRHFSA-N 1 0 410.518 1.797 20 0 HDADRO COc1cc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cc(Cl)c1OCC(N)=O ZINC000673885496 1073857364 /nfs/dbraw/zinc/85/73/64/1073857364.db2.gz GQDUURIFKNNJNH-OAHLLOKOSA-N 1 0 411.886 1.082 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cc(F)c(F)cc3Cl)CC2)C1 ZINC000673886061 1073857552 /nfs/dbraw/zinc/85/75/52/1073857552.db2.gz APDRBDHLDSDEPW-GFCCVEGCSA-N 1 0 400.857 1.795 20 0 HDADRO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000673896663 1073866707 /nfs/dbraw/zinc/86/67/07/1073866707.db2.gz UXLXAEVJOOLYLK-UHFFFAOYSA-N 1 0 423.583 1.195 20 0 HDADRO COCCN(C(=O)C[NH2+][C@H](C)[C@H]1OCCc2sccc21)[C@H]1CCS(=O)(=O)C1 ZINC000429158239 1073868157 /nfs/dbraw/zinc/86/81/57/1073868157.db2.gz CIXIAJQXPQTLNS-QWQRMKEZSA-N 1 0 416.565 1.002 20 0 HDADRO COCCN(C(=O)C[NH2+][C@H](C)[C@H]1OCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000429158234 1073868218 /nfs/dbraw/zinc/86/82/18/1073868218.db2.gz CIXIAJQXPQTLNS-HBUWYVDXSA-N 1 0 416.565 1.002 20 0 HDADRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1S(N)(=O)=O ZINC000429161991 1073883185 /nfs/dbraw/zinc/88/31/85/1073883185.db2.gz WYIMJHCILOYZEW-KPZWWZAWSA-N 1 0 409.533 1.935 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)C2=O)c1 ZINC000673911823 1073883691 /nfs/dbraw/zinc/88/36/91/1073883691.db2.gz GBMWIOCZQMPBNA-JXFKEZNVSA-N 1 0 416.522 1.935 20 0 HDADRO COc1ccccc1C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(C)C ZINC000673912491 1073885157 /nfs/dbraw/zinc/88/51/57/1073885157.db2.gz JOEKYEMXSADAON-SFTDATJTSA-N 1 0 418.582 1.968 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2=O)c1 ZINC000673914917 1073886495 /nfs/dbraw/zinc/88/64/95/1073886495.db2.gz GXTXTSDMYXWIQE-UWJYYQICSA-N 1 0 402.539 1.521 20 0 HDADRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cnn(C)c1 ZINC000543505271 1073900731 /nfs/dbraw/zinc/90/07/31/1073900731.db2.gz OBKQSSPVCBTDNT-MRXNPFEDSA-N 1 0 419.551 1.562 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1=O ZINC000673930436 1073902391 /nfs/dbraw/zinc/90/23/91/1073902391.db2.gz JGQLLCIZMQOWAL-VGSWGCGISA-N 1 0 414.506 1.498 20 0 HDADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000014521317 1073902946 /nfs/dbraw/zinc/90/29/46/1073902946.db2.gz BTBBDJPFUASJMV-INIZCTEOSA-N 1 0 417.535 1.447 20 0 HDADRO CC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1c(C)noc1C ZINC000543507714 1073917694 /nfs/dbraw/zinc/91/76/94/1073917694.db2.gz IWNMRYILXKJYOL-GOSISDBHSA-N 1 0 420.535 1.865 20 0 HDADRO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000670432459 1073927136 /nfs/dbraw/zinc/92/71/36/1073927136.db2.gz SLJWQYKKXPFXND-SXLOBPIMSA-N 1 0 403.523 1.013 20 0 HDADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000429176927 1073957156 /nfs/dbraw/zinc/95/71/56/1073957156.db2.gz PXNKTXTZWFPDKX-MSOLQXFVSA-N 1 0 414.472 1.901 20 0 HDADRO Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000673976772 1073963380 /nfs/dbraw/zinc/96/33/80/1073963380.db2.gz JVGLSWCCWGRQFG-YLJYHZDGSA-N 1 0 416.551 1.263 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC(=O)OCc2ccccc2)CC1=O ZINC000766044901 1073971688 /nfs/dbraw/zinc/97/16/88/1073971688.db2.gz NSNKYIYZEAVGLJ-OALUTQOASA-N 1 0 401.507 1.569 20 0 HDADRO CCNC(=O)c1cccc(NC(=O)CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000543521521 1073979920 /nfs/dbraw/zinc/97/99/20/1073979920.db2.gz GGIIJJGPFTWBHM-UHFFFAOYSA-N 1 0 415.582 1.724 20 0 HDADRO CCn1cnnc1-c1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000543523474 1073981923 /nfs/dbraw/zinc/98/19/23/1073981923.db2.gz WCQDFXVZLRZJKU-INIZCTEOSA-N 1 0 414.510 1.473 20 0 HDADRO CN1CCN([C@@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccccc2)CC1 ZINC000670443956 1073990278 /nfs/dbraw/zinc/99/02/78/1073990278.db2.gz YJCJXTPOICXKBO-FCHUYYIVSA-N 1 0 400.567 1.688 20 0 HDADRO C[C@@H]1C[NH+](CCC2CCN(C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)C[C@@H](C)O1 ZINC000429185860 1074003662 /nfs/dbraw/zinc/00/36/62/1074003662.db2.gz SXFSBCMFRFBEQA-JFIYKMOQSA-N 1 0 401.573 1.342 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000509189618 1074004877 /nfs/dbraw/zinc/00/48/77/1074004877.db2.gz GELCKTJITVXPDU-KSSFIOAISA-N 1 0 415.581 1.478 20 0 HDADRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000670446810 1074007285 /nfs/dbraw/zinc/00/72/85/1074007285.db2.gz SFMFJIWMMYNLGE-FQEVSTJZSA-N 1 0 413.543 1.780 20 0 HDADRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000670446811 1074007382 /nfs/dbraw/zinc/00/73/82/1074007382.db2.gz SFMFJIWMMYNLGE-HXUWFJFHSA-N 1 0 413.543 1.780 20 0 HDADRO COCCOc1ccc(Cl)cc1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000673989977 1074011806 /nfs/dbraw/zinc/01/18/06/1074011806.db2.gz YLFRUANZZBRVCW-QGZVFWFLSA-N 1 0 409.914 1.920 20 0 HDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000543526610 1074012811 /nfs/dbraw/zinc/01/28/11/1074012811.db2.gz HXAKJIVEMITLHV-UHFFFAOYSA-N 1 0 410.474 1.298 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)Nc3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000543529828 1074020056 /nfs/dbraw/zinc/02/00/56/1074020056.db2.gz XAJXIRXZRNKVEL-UHFFFAOYSA-N 1 0 424.549 1.687 20 0 HDADRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000543531036 1074022912 /nfs/dbraw/zinc/02/29/12/1074022912.db2.gz BLNLUFXIIJRVOM-ZETCQYMHSA-N 1 0 413.099 1.733 20 0 HDADRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000543536478 1074038041 /nfs/dbraw/zinc/03/80/41/1074038041.db2.gz ODPOVZFEKUBDEM-OAHLLOKOSA-N 1 0 422.551 1.184 20 0 HDADRO C[NH+]1CCC(OCC(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC001128579916 1074043629 /nfs/dbraw/zinc/04/36/29/1074043629.db2.gz MSTWQEXKLNGJLS-UHFFFAOYSA-N 1 0 411.502 1.942 20 0 HDADRO O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000429196408 1074051803 /nfs/dbraw/zinc/05/18/03/1074051803.db2.gz GHFVNIPEMLVYBW-TZIWHRDSSA-N 1 0 424.549 1.628 20 0 HDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)CC1 ZINC000674013273 1074063929 /nfs/dbraw/zinc/06/39/29/1074063929.db2.gz CQVJAVBPVGRPKL-GOSISDBHSA-N 1 0 408.506 1.903 20 0 HDADRO O=C(CCNS(=O)(=O)c1cccnc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058879439 1074071253 /nfs/dbraw/zinc/07/12/53/1074071253.db2.gz UTPLKOXDDWTOSP-UHFFFAOYSA-N 1 0 408.568 1.865 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 ZINC000674025773 1074085598 /nfs/dbraw/zinc/08/55/98/1074085598.db2.gz PPRRDBIIZSHCNM-QGZVFWFLSA-N 1 0 404.511 1.919 20 0 HDADRO C[C@H]1CN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000509202538 1074087812 /nfs/dbraw/zinc/08/78/12/1074087812.db2.gz KFALDUFHVFMHAO-FZMZJTMJSA-N 1 0 409.449 1.890 20 0 HDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000543559481 1074091161 /nfs/dbraw/zinc/09/11/61/1074091161.db2.gz SXIMTWBCLLJDIF-JKSUJKDBSA-N 1 0 408.524 1.055 20 0 HDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)C[C@H]1C ZINC000543556574 1074096074 /nfs/dbraw/zinc/09/60/74/1074096074.db2.gz FSQAXMPAKAKGFZ-CVEARBPZSA-N 1 0 416.522 1.492 20 0 HDADRO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000543560802 1074101089 /nfs/dbraw/zinc/10/10/89/1074101089.db2.gz BLZBCKSKHNPJJB-UHFFFAOYSA-N 1 0 414.510 1.453 20 0 HDADRO O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000674038857 1074109679 /nfs/dbraw/zinc/10/96/79/1074109679.db2.gz FAXJBWOWTYIOLP-MRXNPFEDSA-N 1 0 402.886 1.519 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)CC1 ZINC000466615917 1074115582 /nfs/dbraw/zinc/11/55/82/1074115582.db2.gz BRXYDKARWKPCSW-IRXDYDNUSA-N 1 0 409.575 1.347 20 0 HDADRO O=C(NC1CCN(c2cccnn2)CC1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000429207284 1074117397 /nfs/dbraw/zinc/11/73/97/1074117397.db2.gz WYOWUNJPNNFGAN-PZJWPPBQSA-N 1 0 424.549 1.628 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)Cc1ccccc1 ZINC000543562016 1074119186 /nfs/dbraw/zinc/11/91/86/1074119186.db2.gz AYXGNMYDFGZROK-LJQANCHMSA-N 1 0 423.517 1.439 20 0 HDADRO CN1CCN(C(=O)c2cc(NC(=O)NCc3ccc(CC[NH+](C)C)cc3)ccn2)CC1 ZINC000466618898 1074120611 /nfs/dbraw/zinc/12/06/11/1074120611.db2.gz URNKNIAAGGGGCM-UHFFFAOYSA-N 1 0 424.549 1.895 20 0 HDADRO C[NH+](C)C1CCN(CCNC(=O)C(=O)Nc2ccc(Cl)c3ncccc23)CC1 ZINC000674041676 1074125224 /nfs/dbraw/zinc/12/52/24/1074125224.db2.gz HJXKPPDKLCQNPH-UHFFFAOYSA-N 1 0 403.914 1.969 20 0 HDADRO CC(C)n1ncc2cc(NC(=O)C(=O)NCCN3CCC([NH+](C)C)CC3)ccc21 ZINC000674042535 1074128381 /nfs/dbraw/zinc/12/83/81/1074128381.db2.gz YIOHAPOSZCDGIE-UHFFFAOYSA-N 1 0 400.527 1.698 20 0 HDADRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674048477 1074141734 /nfs/dbraw/zinc/14/17/34/1074141734.db2.gz SAIVLSOOQUUXOE-NVXWUHKLSA-N 1 0 416.547 1.965 20 0 HDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)C1 ZINC000674055540 1074149791 /nfs/dbraw/zinc/14/97/91/1074149791.db2.gz DMRYZDCPMONAJH-GOEBONIOSA-N 1 0 409.556 1.974 20 0 HDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1 ZINC000509214846 1074149800 /nfs/dbraw/zinc/14/98/00/1074149800.db2.gz AWJGFZWHMHOPKB-GOSISDBHSA-N 1 0 416.570 1.400 20 0 HDADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)cc2)CC1 ZINC000466629234 1074164139 /nfs/dbraw/zinc/16/41/39/1074164139.db2.gz XEXCPDACQVENJR-FQEVSTJZSA-N 1 0 402.539 1.617 20 0 HDADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000543579817 1074165947 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CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)CC1 ZINC000509234654 1074523701 /nfs/dbraw/zinc/52/37/01/1074523701.db2.gz OBSGNNTXYVVLAS-INIZCTEOSA-N 1 0 419.526 1.678 20 0 HDADRO CC(C)C1CCC([NH+]2CCN(C(=O)NCCCN3CCCS3(=O)=O)CC2)CC1 ZINC000674673149 1074525083 /nfs/dbraw/zinc/52/50/83/1074525083.db2.gz FFAUSCDZKNXILU-UHFFFAOYSA-N 1 0 414.616 1.954 20 0 HDADRO Cc1noc(C2CCC(NC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)n1 ZINC000674672914 1074525128 /nfs/dbraw/zinc/52/51/28/1074525128.db2.gz ADXLXMBGQHAVSZ-ABHNRTSZSA-N 1 0 406.531 1.110 20 0 HDADRO Cc1noc(C2CCC(NC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)n1 ZINC000674672917 1074525173 /nfs/dbraw/zinc/52/51/73/1074525173.db2.gz ADXLXMBGQHAVSZ-DAWZGUTISA-N 1 0 406.531 1.110 20 0 HDADRO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(N2CCOCC2)c1 ZINC000674707712 1074536270 /nfs/dbraw/zinc/53/62/70/1074536270.db2.gz QIYPEDQABLBUDP-CTNGQTDRSA-N 1 0 402.539 1.572 20 0 HDADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c1 ZINC001168753106 1074548142 /nfs/dbraw/zinc/54/81/42/1074548142.db2.gz PQGNUCOEYUIJKG-MRXNPFEDSA-N 1 0 423.485 1.920 20 0 HDADRO C[C@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670482923 1074550422 /nfs/dbraw/zinc/55/04/22/1074550422.db2.gz RQTZIPNCMYGVEL-WIYYLYMNSA-N 1 0 400.567 1.751 20 0 HDADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000674790396 1074567742 /nfs/dbraw/zinc/56/77/42/1074567742.db2.gz GHOYYCLHNRVMIF-QFBILLFUSA-N 1 0 419.551 1.430 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1c[nH]nc1-c1ccccc1Cl ZINC000674800836 1074569725 /nfs/dbraw/zinc/56/97/25/1074569725.db2.gz XCXPDQVEOWSCDN-HNNXBMFYSA-N 1 0 403.914 1.866 20 0 HDADRO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674800295 1074574300 /nfs/dbraw/zinc/57/43/00/1074574300.db2.gz ZOYALXURJJZFSB-DOTOQJQBSA-N 1 0 411.543 1.520 20 0 HDADRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000674869147 1074596675 /nfs/dbraw/zinc/59/66/75/1074596675.db2.gz BCEONSJMXAYXMK-KRWDZBQOSA-N 1 0 410.522 1.554 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCN(c4c(F)cccc4F)C3)CC2)C1 ZINC000674877378 1074599590 /nfs/dbraw/zinc/59/95/90/1074599590.db2.gz RBDNZWLZIZJHTC-DLBZAZTESA-N 1 0 407.509 1.965 20 0 HDADRO COCCn1ncc2ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc3ccco3)cc21 ZINC000674899932 1074607001 /nfs/dbraw/zinc/60/70/01/1074607001.db2.gz LBVYJVXQNYGSJX-UHFFFAOYSA-N 1 0 413.478 1.805 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)CC2)C1 ZINC000674893028 1074610151 /nfs/dbraw/zinc/61/01/51/1074610151.db2.gz TZBCWUREYDXSSN-CRAIPNDOSA-N 1 0 421.492 1.492 20 0 HDADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000674911737 1074616723 /nfs/dbraw/zinc/61/67/23/1074616723.db2.gz NWVBBSIMZCKTAS-YADHBBJMSA-N 1 0 401.551 1.955 20 0 HDADRO O=C(C[NH+]1CCC(OCCCO)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000674913123 1074619322 /nfs/dbraw/zinc/61/93/22/1074619322.db2.gz YHGCLIDTUUQGAH-IBGZPJMESA-N 1 0 404.507 1.985 20 0 HDADRO C[NH+]1CCN(C[C@@H](NC(=O)N2CCC(OCCCO)CC2)c2ccccc2)CC1 ZINC000674978313 1074651625 /nfs/dbraw/zinc/65/16/25/1074651625.db2.gz IASJGGLRERKYKM-OAQYLSRUSA-N 1 0 404.555 1.548 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 ZINC000674984245 1074659502 /nfs/dbraw/zinc/65/95/02/1074659502.db2.gz DQGOLHAOOBOEGH-QAPCUYQASA-N 1 0 412.556 1.857 20 0 HDADRO CC(C)c1cc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)n(-c2ccccc2)n1 ZINC000558530492 1074665071 /nfs/dbraw/zinc/66/50/71/1074665071.db2.gz ALAKGIVUBQSDQZ-UHFFFAOYSA-N 1 0 409.494 2.331 20 0 HDADRO CCCCNS(=O)(=O)c1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000429242154 1074665654 /nfs/dbraw/zinc/66/56/54/1074665654.db2.gz PZJFTSNOTRPAQO-KRWDZBQOSA-N 1 0 424.567 1.951 20 0 HDADRO CCCCNS(=O)(=O)c1cccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000429242155 1074665770 /nfs/dbraw/zinc/66/57/70/1074665770.db2.gz PZJFTSNOTRPAQO-QGZVFWFLSA-N 1 0 424.567 1.951 20 0 HDADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[NH+]2[C@H](C)CC(O)C[C@H]2C)CC1 ZINC000429309786 1074669691 /nfs/dbraw/zinc/66/96/91/1074669691.db2.gz VBDOWXOUMVAVDZ-QZTJIDSGSA-N 1 0 416.566 1.565 20 0 HDADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)Nc1ccc(OC(C)C)nn1 ZINC000551475693 1074675867 /nfs/dbraw/zinc/67/58/67/1074675867.db2.gz DMVIDCWREKWVAI-UHFFFAOYSA-N 1 0 412.494 1.901 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000675002761 1074682596 /nfs/dbraw/zinc/68/25/96/1074682596.db2.gz OEVILQMEIUUJPY-OALUTQOASA-N 1 0 405.495 1.362 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000477007473 1074685791 /nfs/dbraw/zinc/68/57/91/1074685791.db2.gz NVTHRHSUCWCRSR-PKOBYXMFSA-N 1 0 402.539 1.644 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](c3ccccc3)[NH+](CC)CC)CCN2C1=O ZINC000675084353 1074700428 /nfs/dbraw/zinc/70/04/28/1074700428.db2.gz UVYAWUDVOXZLSD-MSOLQXFVSA-N 1 0 401.511 1.747 20 0 HDADRO CCc1ccc([C@H](CNC(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)[NH+](C)C)cc1 ZINC000675084415 1074700650 /nfs/dbraw/zinc/70/06/50/1074700650.db2.gz WNJGCTNAOMEMIZ-ROUUACIJSA-N 1 0 401.511 1.530 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCCC3)CCN2C1=O ZINC000675085284 1074701487 /nfs/dbraw/zinc/70/14/87/1074701487.db2.gz QLEZFBZIDNYBKC-LJQANCHMSA-N 1 0 413.522 1.850 20 0 HDADRO COC(=O)CCCc1nnc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000549214857 1074703516 /nfs/dbraw/zinc/70/35/16/1074703516.db2.gz ZYMIXDJADDHYJC-CQSZACIVSA-N 1 0 411.528 1.610 20 0 HDADRO CN1C(=O)CC[C@H]1C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001128943481 1074710996 /nfs/dbraw/zinc/71/09/96/1074710996.db2.gz PUUGATDUJAJXKI-IBGZPJMESA-N 1 0 400.523 1.095 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3cccnc3)CC2)CC1 ZINC000675091208 1074714817 /nfs/dbraw/zinc/71/48/17/1074714817.db2.gz SJQQAIGMPCZGJD-UHFFFAOYSA-N 1 0 402.539 1.793 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nn1[C@H](C)C1CC1 ZINC000544203234 1074714941 /nfs/dbraw/zinc/71/49/41/1074714941.db2.gz HYKBCKKOHLYBET-MJGOQNOKSA-N 1 0 416.570 1.730 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)CCN2C1=O ZINC000675103408 1074720167 /nfs/dbraw/zinc/72/01/67/1074720167.db2.gz RJQAKUMNJKSPRR-APWZRJJASA-N 1 0 413.522 1.890 20 0 HDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)Nc1nnc(/C=C/c2ccco2)s1 ZINC000484094753 1074722480 /nfs/dbraw/zinc/72/24/80/1074722480.db2.gz GSGJQZNVFMBETO-AATRIKPKSA-N 1 0 420.539 1.813 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)nn1-c1ccc(F)cc1F ZINC000582989369 1074723756 /nfs/dbraw/zinc/72/37/56/1074723756.db2.gz QQUHFXXPHHTDQP-OAHLLOKOSA-N 1 0 403.433 2.094 20 0 HDADRO CN1CCN(C(=O)c2cc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)ccn2)CC1 ZINC000543614432 1074726640 /nfs/dbraw/zinc/72/66/40/1074726640.db2.gz CINNMNDHDVSKPV-AYHJJNSGSA-N 1 0 400.527 1.606 20 0 HDADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ncn(Cc2ccccc2)n1 ZINC000588253406 1074741098 /nfs/dbraw/zinc/74/10/98/1074741098.db2.gz UWNVGDYDEZEFPJ-UHFFFAOYSA-N 1 0 419.533 2.266 20 0 HDADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000675142983 1074741592 /nfs/dbraw/zinc/74/15/92/1074741592.db2.gz WYPOAYIHJDNBOH-IBGZPJMESA-N 1 0 402.539 1.402 20 0 HDADRO C[NH+](C)CCCN(C(=O)c1noc(-c2cccc(F)c2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000675143534 1074742718 /nfs/dbraw/zinc/74/27/18/1074742718.db2.gz ADVAYHDOKSMZQC-HNNXBMFYSA-N 1 0 410.471 1.457 20 0 HDADRO C[NH+](C)CCCN(C(=O)C1CC(OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000675144533 1074743537 /nfs/dbraw/zinc/74/35/37/1074743537.db2.gz PCHUHZUHHMMTNC-IOJLRTSASA-N 1 0 408.564 1.949 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000675147316 1074744430 /nfs/dbraw/zinc/74/44/30/1074744430.db2.gz RARIGLAKRFWASQ-WBVHZDCISA-N 1 0 403.504 1.492 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000675163307 1074746218 /nfs/dbraw/zinc/74/62/18/1074746218.db2.gz VDGPXBJYGTXNIV-MRXNPFEDSA-N 1 0 424.571 1.159 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)Cc4ncon4)c3)CC[C@@H]21 ZINC000766096755 1074750363 /nfs/dbraw/zinc/75/03/63/1074750363.db2.gz HDAJISIPRZWPBB-ZBFHGGJFSA-N 1 0 422.482 1.739 20 0 HDADRO C[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)NS(=O)(=O)c1cccnc1Cl ZINC000766096815 1074753976 /nfs/dbraw/zinc/75/39/76/1074753976.db2.gz IFSJRTVCNLDYDM-KFWWJZLASA-N 1 0 414.959 1.735 20 0 HDADRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccccc3CN3CCNC3=O)cn2)CC1 ZINC000543617431 1074758479 /nfs/dbraw/zinc/75/84/79/1074758479.db2.gz VEEHSAUTQRPVEO-UHFFFAOYSA-N 1 0 423.521 1.680 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000675194946 1074759072 /nfs/dbraw/zinc/75/90/72/1074759072.db2.gz SGHQYRIIJJNXFC-PZJWPPBQSA-N 1 0 413.566 1.994 20 0 HDADRO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(O)c1 ZINC000429322801 1074762993 /nfs/dbraw/zinc/76/29/93/1074762993.db2.gz OURCXCJVEBLZQJ-MRXNPFEDSA-N 1 0 403.504 1.576 20 0 HDADRO CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000675226686 1074765999 /nfs/dbraw/zinc/76/59/99/1074765999.db2.gz VMCJEDTWWWXJHI-IBGZPJMESA-N 1 0 400.502 1.706 20 0 HDADRO CC1CC[NH+](Cc2cccc(CNC(=O)Nc3ncn(CC(=O)N(C)C)n3)c2)CC1 ZINC000582394982 1074767607 /nfs/dbraw/zinc/76/76/07/1074767607.db2.gz SVPRVBFYELFEAG-UHFFFAOYSA-N 1 0 413.526 1.920 20 0 HDADRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766100332 1074770141 /nfs/dbraw/zinc/77/01/41/1074770141.db2.gz ZXOGILWLEFEQLQ-SLEUVZQESA-N 1 0 410.583 1.175 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000477060393 1074770463 /nfs/dbraw/zinc/77/04/63/1074770463.db2.gz DHDJOPWKVDDEGQ-HNNXBMFYSA-N 1 0 421.517 1.785 20 0 HDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCCc3ccc(F)cc3)CC2)CC1 ZINC000670497989 1074770572 /nfs/dbraw/zinc/77/05/72/1074770572.db2.gz VROGMWUJVVGPMN-UHFFFAOYSA-N 1 0 404.530 1.501 20 0 HDADRO Cc1ccn(-c2ccccc2NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000675263854 1074774019 /nfs/dbraw/zinc/77/40/19/1074774019.db2.gz PTHCYHLSXIHASU-GOSISDBHSA-N 1 0 410.522 1.358 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1 ZINC000675265374 1074776158 /nfs/dbraw/zinc/77/61/58/1074776158.db2.gz VLNMAARIYODJEU-UHFFFAOYSA-N 1 0 400.520 1.518 20 0 HDADRO Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000675267985 1074777020 /nfs/dbraw/zinc/77/70/20/1074777020.db2.gz UITKIYQTIOWNKP-OAQYLSRUSA-N 1 0 424.549 1.778 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000477067901 1074778943 /nfs/dbraw/zinc/77/89/43/1074778943.db2.gz OGCGQTHFZDONIQ-UYAOXDASSA-N 1 0 404.555 1.331 20 0 HDADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000675290926 1074782064 /nfs/dbraw/zinc/78/20/64/1074782064.db2.gz FWORZXXYAVHROR-RBUKOAKNSA-N 1 0 418.513 1.376 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000477079738 1074783557 /nfs/dbraw/zinc/78/35/57/1074783557.db2.gz CQAVDOSRCPYOPG-HOCLYGCPSA-N 1 0 410.946 1.890 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000477079951 1074784721 /nfs/dbraw/zinc/78/47/21/1074784721.db2.gz FJNMMXYTOQKMIF-MRXNPFEDSA-N 1 0 419.522 1.426 20 0 HDADRO Cc1cc(NC(=O)C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)nn1C ZINC000555277945 1074785804 /nfs/dbraw/zinc/78/58/04/1074785804.db2.gz ALDWMTXIZFCWKD-UHFFFAOYSA-N 1 0 412.494 2.120 20 0 HDADRO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000473232016 1074787180 /nfs/dbraw/zinc/78/71/80/1074787180.db2.gz DUSPLTMFVDTAON-HNNXBMFYSA-N 1 0 408.437 1.988 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000477089152 1074791436 /nfs/dbraw/zinc/79/14/36/1074791436.db2.gz ZXXILYJMSXWPBW-QGZVFWFLSA-N 1 0 420.554 1.195 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000477094982 1074791935 /nfs/dbraw/zinc/79/19/35/1074791935.db2.gz FXTUXDGEZIGFMU-CYBMUJFWSA-N 1 0 403.449 1.912 20 0 HDADRO COC(=O)c1c2c(sc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)CCCC2 ZINC000550799321 1074798173 /nfs/dbraw/zinc/79/81/73/1074798173.db2.gz HDJMHDTWNOBJLP-UHFFFAOYSA-N 1 0 419.507 1.749 20 0 HDADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1-n1cccn1 ZINC000675310605 1074801404 /nfs/dbraw/zinc/80/14/04/1074801404.db2.gz WYSDLIQEOGMRFG-OALUTQOASA-N 1 0 412.538 1.639 20 0 HDADRO CC[NH+]1CCC(CNC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000142803827 1074803879 /nfs/dbraw/zinc/80/38/79/1074803879.db2.gz XCPPDMKKTCBRKT-UHFFFAOYSA-N 1 0 413.540 1.220 20 0 HDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC[C@H]21 ZINC000766106917 1074812395 /nfs/dbraw/zinc/81/23/95/1074812395.db2.gz GASTWDMPHAKOON-NMLBUPMWSA-N 1 0 401.507 1.701 20 0 HDADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[C@@H]2CCCC(=O)N2)cc1OC ZINC000675363843 1074813413 /nfs/dbraw/zinc/81/34/13/1074813413.db2.gz QAWLTIHTBJLAIX-HNNXBMFYSA-N 1 0 404.511 1.764 20 0 HDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000675363742 1074813828 /nfs/dbraw/zinc/81/38/28/1074813828.db2.gz PLGLBRNLBSHIFL-NHYWBVRUSA-N 1 0 413.305 1.425 20 0 HDADRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000675363741 1074813952 /nfs/dbraw/zinc/81/39/52/1074813952.db2.gz PLGLBRNLBSHIFL-IAQYHMDHSA-N 1 0 413.305 1.425 20 0 HDADRO O=C(NCc1ccccc1Cn1cccn1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507163263 1074815990 /nfs/dbraw/zinc/81/59/90/1074815990.db2.gz VDJONEPLADZLTP-UHFFFAOYSA-N 1 0 401.430 1.767 20 0 HDADRO C[C@@H](NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000670503192 1074816898 /nfs/dbraw/zinc/81/68/98/1074816898.db2.gz RWJHINYLIROOTE-OXQOHEQNSA-N 1 0 406.490 1.864 20 0 HDADRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000670503105 1074819583 /nfs/dbraw/zinc/81/95/83/1074819583.db2.gz CJWTUBUTEHRECS-YHELAOLJSA-N 1 0 416.566 1.506 20 0 HDADRO CCCCCc1nnc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)s1 ZINC000554044097 1075091376 /nfs/dbraw/zinc/09/13/76/1075091376.db2.gz PPECLHNZXUJGMQ-GOOCMWNKSA-N 1 0 408.572 2.476 20 0 HDADRO COC(=O)c1ccc(F)cc1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000581922531 1075092744 /nfs/dbraw/zinc/09/27/44/1075092744.db2.gz UHBZQRSEQUXOJE-UHFFFAOYSA-N 1 0 403.414 1.653 20 0 HDADRO CN1C(=O)c2ccc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)cc2C1=O ZINC000429341256 1075123862 /nfs/dbraw/zinc/12/38/62/1075123862.db2.gz ZGMWSGRWCTWQFI-SFHVURJKSA-N 1 0 407.470 1.933 20 0 HDADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)C1 ZINC000576071047 1075124643 /nfs/dbraw/zinc/12/46/43/1075124643.db2.gz KPDSPBJSSOTYSJ-CQSZACIVSA-N 1 0 405.449 2.246 20 0 HDADRO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000675402977 1075127553 /nfs/dbraw/zinc/12/75/53/1075127553.db2.gz 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COCCCn1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)n1 ZINC000443838649 1075148015 /nfs/dbraw/zinc/14/80/15/1075148015.db2.gz UOFNLAYNHMQQLR-QFBILLFUSA-N 1 0 401.511 1.974 20 0 HDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCn2c3ccccc3[nH]c2=O)CC1 ZINC000429346329 1075150908 /nfs/dbraw/zinc/15/09/08/1075150908.db2.gz BWVUAEGPDCXHQH-KRWDZBQOSA-N 1 0 400.527 1.553 20 0 HDADRO COc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@]3(CCOC3)C2)[NH+]2CCCCC2)cc1 ZINC000670527628 1075153722 /nfs/dbraw/zinc/15/37/22/1075153722.db2.gz PRFXZCJSLWJVKB-NZQKXSOJSA-N 1 0 415.534 1.977 20 0 HDADRO COCCCn1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000494081424 1075156642 /nfs/dbraw/zinc/15/66/42/1075156642.db2.gz YTCCFCRJBWZBSS-RTBURBONSA-N 1 0 401.511 1.924 20 0 HDADRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)c1 ZINC000675459812 1075158119 /nfs/dbraw/zinc/15/81/19/1075158119.db2.gz HAXGZDZLSOPHGT-UHFFFAOYSA-N 1 0 416.503 1.831 20 0 HDADRO O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000675453430 1075158695 /nfs/dbraw/zinc/15/86/95/1075158695.db2.gz QKAZEQXNABGNNC-SFHVURJKSA-N 1 0 401.573 1.199 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N(CCCO)Cc1cccc(Cl)c1 ZINC000442312063 1075163129 /nfs/dbraw/zinc/16/31/29/1075163129.db2.gz WQNOWMHKQXMRPN-UHFFFAOYSA-N 1 0 413.865 2.270 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000462797297 1075163960 /nfs/dbraw/zinc/16/39/60/1075163960.db2.gz DJHZAKYFHCGYJF-UHFFFAOYSA-N 1 0 407.434 1.872 20 0 HDADRO Cn1nnnc1-c1cccc(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000675468995 1075164009 /nfs/dbraw/zinc/16/40/09/1075164009.db2.gz ABERUUPTBBNWCF-HNNXBMFYSA-N 1 0 414.491 1.395 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCSC[C@H]1c1nccs1 ZINC000442505946 1075164209 /nfs/dbraw/zinc/16/42/09/1075164209.db2.gz FPKMWAVPEZSONG-ZDUSSCGKSA-N 1 0 400.489 1.979 20 0 HDADRO C[C@H]([NH2+]CCNc1ccccn1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766141553 1075167291 /nfs/dbraw/zinc/16/72/91/1075167291.db2.gz HCTIGUFDADTJKE-AWEZNQCLSA-N 1 0 412.537 1.570 20 0 HDADRO COC(=O)C1(C)CCC([NH2+]CC(=O)NC[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC001168757938 1075167329 /nfs/dbraw/zinc/16/73/29/1075167329.db2.gz CPJSTMYYRSGUDP-XZSJUEPFSA-N 1 0 408.495 1.565 20 0 HDADRO CN(C)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000675471562 1075167945 /nfs/dbraw/zinc/16/79/45/1075167945.db2.gz JAEJNLATZSTYCY-MRXNPFEDSA-N 1 0 403.504 1.906 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC(S(C)(=O)=O)CC3)cc2)CC1 ZINC000675480157 1075170245 /nfs/dbraw/zinc/17/02/45/1075170245.db2.gz IFMBBTVGBRUFBQ-UHFFFAOYSA-N 1 0 422.595 1.543 20 0 HDADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCN(CCO)[C@H](C)C2)ccc1OC ZINC000429352708 1075170758 /nfs/dbraw/zinc/17/07/58/1075170758.db2.gz IJARQZNSBOVNDP-QGZVFWFLSA-N 1 0 408.543 1.946 20 0 HDADRO Cn1cc(-c2nn(C)cc2C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000429351879 1075179445 /nfs/dbraw/zinc/17/94/45/1075179445.db2.gz UTKWEQLUVZHUKQ-IBGZPJMESA-N 1 0 408.506 1.842 20 0 HDADRO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCN(c4cc[nH+]cc4)CC3)CC2)C1 ZINC000675500127 1075180389 /nfs/dbraw/zinc/18/03/89/1075180389.db2.gz ZPEDESLXCOYBCG-LJQANCHMSA-N 1 0 413.566 1.701 20 0 HDADRO Cc1nc(CC(C)C)c(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000675516412 1075181196 /nfs/dbraw/zinc/18/11/96/1075181196.db2.gz WUGFBIVZDSLILJ-INIZCTEOSA-N 1 0 407.584 1.827 20 0 HDADRO CC(C)(C)N1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1=O ZINC000429357806 1075186552 /nfs/dbraw/zinc/18/65/52/1075186552.db2.gz PUKNMOBJJNOKFD-GOSISDBHSA-N 1 0 402.539 1.842 20 0 HDADRO CCN(C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446861405 1075187154 /nfs/dbraw/zinc/18/71/54/1075187154.db2.gz LGICKNRKONKSKO-INIZCTEOSA-N 1 0 423.439 2.507 20 0 HDADRO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000675511386 1075189482 /nfs/dbraw/zinc/18/94/82/1075189482.db2.gz GDVIMAPPBRBMLY-DZGCQCFKSA-N 1 0 422.507 1.314 20 0 HDADRO COc1cc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)sc1S(N)(=O)=O ZINC000675511502 1075190446 /nfs/dbraw/zinc/19/04/46/1075190446.db2.gz KDEBHKFLXQSQGW-NSHDSACASA-N 1 0 411.505 1.374 20 0 HDADRO NC(=O)c1cccnc1N1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509348303 1075192284 /nfs/dbraw/zinc/19/22/84/1075192284.db2.gz MUQJJLWGDWZEFT-UHFFFAOYSA-N 1 0 408.550 1.515 20 0 HDADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCCCN1CCCS1(=O)=O ZINC000675534048 1075193149 /nfs/dbraw/zinc/19/31/49/1075193149.db2.gz ZRMIDYYVKYFWCW-ROUUACIJSA-N 1 0 422.595 1.868 20 0 HDADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000675533909 1075193164 /nfs/dbraw/zinc/19/31/64/1075193164.db2.gz DHDAUAAUEDXMCY-HZPDHXFCSA-N 1 0 410.584 1.770 20 0 HDADRO CS(=O)(=O)c1ccc(OCCCC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000675537116 1075194198 /nfs/dbraw/zinc/19/41/98/1075194198.db2.gz VFJAYTREBBDBHI-KRWDZBQOSA-N 1 0 410.536 1.619 20 0 HDADRO O=C(COc1ccccc1)N1CCC(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000675538127 1075194989 /nfs/dbraw/zinc/19/49/89/1075194989.db2.gz FMCKQVOLIPGXBZ-HXUWFJFHSA-N 1 0 415.534 1.674 20 0 HDADRO COc1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1S(=O)(=O)NC1CC1 ZINC000675538729 1075196298 /nfs/dbraw/zinc/19/62/98/1075196298.db2.gz NGWDMVYMOMNXAM-KRWDZBQOSA-N 1 0 423.535 1.119 20 0 HDADRO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675540954 1075196940 /nfs/dbraw/zinc/19/69/40/1075196940.db2.gz GIXROCBLBULNIF-XJKSGUPXSA-N 1 0 415.943 1.376 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCOc3ccc(C(F)(F)F)cn3)CC2)C1 ZINC000675542708 1075198794 /nfs/dbraw/zinc/19/87/94/1075198794.db2.gz BSYJNWBYQBBPGA-INIZCTEOSA-N 1 0 415.460 1.901 20 0 HDADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000475851762 1075200097 /nfs/dbraw/zinc/20/00/97/1075200097.db2.gz QLPFXDIDRDARNC-UHFFFAOYSA-N 1 0 401.515 1.742 20 0 HDADRO CCN(C[C@H]1CCOC1)C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000675555426 1075200995 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1075287661 /nfs/dbraw/zinc/28/76/61/1075287661.db2.gz ZGFDTFQFJPEVRS-KRWDZBQOSA-N 1 0 401.511 1.902 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000675898910 1075288159 /nfs/dbraw/zinc/28/81/59/1075288159.db2.gz RYEQBHJQXRYSMD-KBXCAEBGSA-N 1 0 416.349 1.972 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CC1=O ZINC000675911341 1075295448 /nfs/dbraw/zinc/29/54/48/1075295448.db2.gz TVIWEFWDSVGOOW-UHOSZYNNSA-N 1 0 404.555 1.369 20 0 HDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)C[N@@H+]1Cc1ccccc1 ZINC000466706638 1075298036 /nfs/dbraw/zinc/29/80/36/1075298036.db2.gz QSQJZEHPGZPSIL-YOEHRIQHSA-N 1 0 408.458 1.849 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000675989027 1075315605 /nfs/dbraw/zinc/31/56/05/1075315605.db2.gz FTDDVZBJPWIESG-RBUKOAKNSA-N 1 0 422.957 1.382 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000675989028 1075315637 /nfs/dbraw/zinc/31/56/37/1075315637.db2.gz FTDDVZBJPWIESG-RTBURBONSA-N 1 0 422.957 1.382 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000675989022 1075315660 /nfs/dbraw/zinc/31/56/60/1075315660.db2.gz FTDDVZBJPWIESG-MOPGFXCFSA-N 1 0 422.957 1.382 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@]2(O)CCCc3ccccc32)CC1 ZINC000731361813 1075320890 /nfs/dbraw/zinc/32/08/90/1075320890.db2.gz YOSLRSCTEHMJGQ-QHCPKHFHSA-N 1 0 409.534 1.857 20 0 HDADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)COC3CC[NH+](C)CC3)CC2)cc1 ZINC001129158424 1075323378 /nfs/dbraw/zinc/32/33/78/1075323378.db2.gz OSFYJECPHCBPAT-UHFFFAOYSA-N 1 0 402.539 1.836 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)c1ccc(Cl)cc1 ZINC000676022572 1075327014 /nfs/dbraw/zinc/32/70/14/1075327014.db2.gz OHXJDHTXTSMPMO-SJORKVTESA-N 1 0 421.929 1.121 20 0 HDADRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(OC(C)C)nn2)[NH+]2CCCC2)cc1 ZINC000551719944 1075330521 /nfs/dbraw/zinc/33/05/21/1075330521.db2.gz IZTXTXNLYPKMPM-GOSISDBHSA-N 1 0 411.506 2.464 20 0 HDADRO CC[NH+]1CCN([C@@H]2CCN([C@@H]3CCN(c4sccc4C(=O)OC)C3=O)C2)CC1 ZINC000466708164 1075332384 /nfs/dbraw/zinc/33/23/84/1075332384.db2.gz XFYOVGQPNRADHI-NVXWUHKLSA-N 1 0 406.552 1.352 20 0 HDADRO COc1cc(-c2noc(CN3CC[NH+](C(C)(C)CO)CC3)n2)cc(OC)c1OC ZINC000676039484 1075337867 /nfs/dbraw/zinc/33/78/67/1075337867.db2.gz OWYZJZGZARZYBK-UHFFFAOYSA-N 1 0 406.483 1.651 20 0 HDADRO O=C(NCCOc1cccnc1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000804076189 1075337972 /nfs/dbraw/zinc/33/79/72/1075337972.db2.gz QUMIYGXZLQXBME-UHFFFAOYSA-N 1 0 414.428 1.498 20 0 HDADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCOc2cccnc2)[C@H]1c1cccs1 ZINC000804076152 1075337988 /nfs/dbraw/zinc/33/79/88/1075337988.db2.gz CLHGTXSHAIRYKA-YJBOKZPZSA-N 1 0 402.520 1.837 20 0 HDADRO COc1cc([C@H](C)NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1OC(C)C ZINC000448482167 1075338411 /nfs/dbraw/zinc/33/84/11/1075338411.db2.gz UHJPCDCLKYXQAT-HNNXBMFYSA-N 1 0 417.510 2.056 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](COCC2CC2)C1)c1ccc(Cl)cc1 ZINC000676043457 1075338854 /nfs/dbraw/zinc/33/88/54/1075338854.db2.gz HWXNMWHGIFUDAA-OALUTQOASA-N 1 0 423.941 1.713 20 0 HDADRO COCC(=O)N1CCc2c1cccc2NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000543653700 1075338778 /nfs/dbraw/zinc/33/87/78/1075338778.db2.gz VRAXSWTXJPVVJY-MRXNPFEDSA-N 1 0 403.527 1.227 20 0 HDADRO CN(c1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1)S(C)(=O)=O ZINC000676048018 1075340099 /nfs/dbraw/zinc/34/00/99/1075340099.db2.gz ZKCHZYSSPPRMMB-OALUTQOASA-N 1 0 424.567 1.259 20 0 HDADRO CCOCCCNC(=O)C1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000491257785 1075341211 /nfs/dbraw/zinc/34/12/11/1075341211.db2.gz FXEDLMIUUNZAIB-UHFFFAOYSA-N 1 0 420.558 1.937 20 0 HDADRO Cc1cccc(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1Br ZINC000471030045 1075343923 /nfs/dbraw/zinc/34/39/23/1075343923.db2.gz PXTUYAGRQOIHGN-UHFFFAOYSA-N 1 0 408.300 1.771 20 0 HDADRO CC1(C)C[N@@H+](C2(CNC(=O)C(=O)NCCOc3cccnc3)CCCCC2)CCO1 ZINC000804078098 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ZINC000676529410 1075582151 /nfs/dbraw/zinc/58/21/51/1075582151.db2.gz MWXKPLDSQYTGBX-INIZCTEOSA-N 1 0 413.540 1.398 20 0 HDADRO Cc1ccccc1-c1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n(C)n1 ZINC000676550653 1075583427 /nfs/dbraw/zinc/58/34/27/1075583427.db2.gz RYQBLPDVJPZDIM-SFHVURJKSA-N 1 0 424.549 1.572 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccnn3CCc3ccccc3)CC2)C1 ZINC000676550752 1075583510 /nfs/dbraw/zinc/58/35/10/1075583510.db2.gz ZWCOOCKOZLCYSI-HXUWFJFHSA-N 1 0 424.549 1.303 20 0 HDADRO CN(C(=O)C(=O)Nc1cc2n(n1)CCCC2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000500239504 1075584411 /nfs/dbraw/zinc/58/44/11/1075584411.db2.gz YJAXGGPBCNLZKU-UHFFFAOYSA-N 1 0 410.522 1.718 20 0 HDADRO Cc1ccc(Cn2nccc2NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)s1 ZINC000676554410 1075586422 /nfs/dbraw/zinc/58/64/22/1075586422.db2.gz LSYFGJJNMVNFBT-UHFFFAOYSA-N 1 0 401.496 1.637 20 0 HDADRO CN(C(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446851405 1075586765 /nfs/dbraw/zinc/58/67/65/1075586765.db2.gz CFZSWHFZAUQKDA-HXUWFJFHSA-N 1 0 418.501 1.998 20 0 HDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676554046 1075587040 /nfs/dbraw/zinc/58/70/40/1075587040.db2.gz QHTMTAJEKXBQDH-UHFFFAOYSA-N 1 0 412.519 1.917 20 0 HDADRO CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732033102 1075592153 /nfs/dbraw/zinc/59/21/53/1075592153.db2.gz AYTZDKHKOIKYBT-HNNXBMFYSA-N 1 0 411.499 1.155 20 0 HDADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)CC1 ZINC000676550084 1075597022 /nfs/dbraw/zinc/59/70/22/1075597022.db2.gz KDRULQLCFAZPSV-UHFFFAOYSA-N 1 0 414.510 1.271 20 0 HDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000676550015 1075597207 /nfs/dbraw/zinc/59/72/07/1075597207.db2.gz VRGUTXMLZNKMLP-UHFFFAOYSA-N 1 0 408.300 1.771 20 0 HDADRO C[C@@H](Oc1ccccc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C(F)(F)F ZINC000576793524 1075597933 /nfs/dbraw/zinc/59/79/33/1075597933.db2.gz NCVJEMNNXHOHSR-GFCCVEGCSA-N 1 0 413.400 2.352 20 0 HDADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)CNC(=O)OCC(F)(F)F)cc21 ZINC000732063955 1075599908 /nfs/dbraw/zinc/59/99/08/1075599908.db2.gz QBOFHXBNWPWGDA-UHFFFAOYSA-N 1 0 404.345 1.383 20 0 HDADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000429102931 1075600254 /nfs/dbraw/zinc/60/02/54/1075600254.db2.gz MFPRWYZNDCJQSX-HOCLYGCPSA-N 1 0 422.489 2.334 20 0 HDADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000595434249 1075602473 /nfs/dbraw/zinc/60/24/73/1075602473.db2.gz MVIKVDMTELDYPY-QGZVFWFLSA-N 1 0 413.522 2.477 20 0 HDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000676564695 1075603195 /nfs/dbraw/zinc/60/31/95/1075603195.db2.gz NGLDRLKPIUSXJT-YSIASYRMSA-N 1 0 409.552 1.237 20 0 HDADRO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000804178925 1075604667 /nfs/dbraw/zinc/60/46/67/1075604667.db2.gz ZQXFYGNTVBUORP-NVXWUHKLSA-N 1 0 408.543 1.445 20 0 HDADRO CN(CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000804178675 1075606209 /nfs/dbraw/zinc/60/62/09/1075606209.db2.gz UYADVOSEADWDJY-SFHVURJKSA-N 1 0 418.538 1.608 20 0 HDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2nnc(C(C)(C)C)s2)CC1 ZINC000501376503 1075606340 /nfs/dbraw/zinc/60/63/40/1075606340.db2.gz PHWLBSOCIZGGGD-HUUCEWRRSA-N 1 0 422.599 1.791 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCOc3ncccc3C(F)(F)F)CC2)C1 ZINC000676610911 1075614677 /nfs/dbraw/zinc/61/46/77/1075614677.db2.gz GPAPSNIJEPDDMS-OAHLLOKOSA-N 1 0 415.460 1.901 20 0 HDADRO COC1(CNC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CCOCC1 ZINC000676612083 1075615150 /nfs/dbraw/zinc/61/51/50/1075615150.db2.gz IHMFFTXYVWPZQV-UHFFFAOYSA-N 1 0 410.559 1.206 20 0 HDADRO COC1(CNC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CCOCC1 ZINC000676611880 1075615434 /nfs/dbraw/zinc/61/54/34/1075615434.db2.gz HGERYQNBMOICOR-UHFFFAOYSA-N 1 0 412.575 1.308 20 0 HDADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000676615436 1075616808 /nfs/dbraw/zinc/61/68/08/1075616808.db2.gz QGFBROXRPMOUDU-UHFFFAOYSA-N 1 0 408.453 1.512 20 0 HDADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)NCCc2nc(N)no2)ccc1Cl ZINC000511118842 1075618915 /nfs/dbraw/zinc/61/89/15/1075618915.db2.gz FLAADYBWUNHBPW-UHFFFAOYSA-N 1 0 423.905 1.741 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000804181328 1075620244 /nfs/dbraw/zinc/62/02/44/1075620244.db2.gz HZTFDAQWDUPCSA-FUHWJXTLSA-N 1 0 418.538 1.749 20 0 HDADRO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000676634225 1075626152 /nfs/dbraw/zinc/62/61/52/1075626152.db2.gz XVKQHIHJSLLYHS-FQEVSTJZSA-N 1 0 422.485 1.888 20 0 HDADRO CCOc1ccc(N2C[C@@H](C(=O)N(C)CCCN3CC[NH+](C)CC3)CC2=O)cc1 ZINC000732115254 1075628215 /nfs/dbraw/zinc/62/82/15/1075628215.db2.gz VWWLJPSLYGJLQT-SFHVURJKSA-N 1 0 402.539 1.534 20 0 HDADRO CCOc1ccc(N2C[C@H](C(=O)N(C)CCCN3CC[NH+](C)CC3)CC2=O)cc1 ZINC000732115253 1075628221 /nfs/dbraw/zinc/62/82/21/1075628221.db2.gz VWWLJPSLYGJLQT-GOSISDBHSA-N 1 0 402.539 1.534 20 0 HDADRO C[C@H](CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)[N@H+](C)Cc1ccccc1 ZINC000732133990 1075632712 /nfs/dbraw/zinc/63/27/12/1075632712.db2.gz KMHRPTWFTOPGAK-OAHLLOKOSA-N 1 0 401.488 1.468 20 0 HDADRO C[C@@]1(CC(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)CCS(=O)(=O)N1 ZINC001649127263 1075637644 /nfs/dbraw/zinc/63/76/44/1075637644.db2.gz LMQAQVRBOZGLOB-NRFANRHFSA-N 1 0 401.532 1.954 20 0 HDADRO COc1ccccc1Nc1nc(N)nc(CN2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000532571420 1075641393 /nfs/dbraw/zinc/64/13/93/1075641393.db2.gz MQSRREHDBTYQMB-UHFFFAOYSA-N 1 0 413.526 1.172 20 0 HDADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)[C@H]3C[NH+]4CCC3CC4)C2=O)cc1 ZINC000732159523 1075641805 /nfs/dbraw/zinc/64/18/05/1075641805.db2.gz HYWCMOIHZQJXCV-LAUBAEHRSA-N 1 0 400.479 1.015 20 0 HDADRO CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000732160337 1075642176 /nfs/dbraw/zinc/64/21/76/1075642176.db2.gz ORGHVSSTSWFCPK-ROUUACIJSA-N 1 0 402.495 1.100 20 0 HDADRO CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)c1ccc(S(=O)(=O)NC)o1 ZINC000071891791 1075649273 /nfs/dbraw/zinc/64/92/73/1075649273.db2.gz OODCDZCCSIVNQH-UHFFFAOYSA-N 1 0 419.507 1.553 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000732149807 1075649376 /nfs/dbraw/zinc/64/93/76/1075649376.db2.gz QSDAVOBOYCDPTH-KRWDZBQOSA-N 1 0 407.474 1.067 20 0 HDADRO CC[C@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1 ZINC001545676609 1075656685 /nfs/dbraw/zinc/65/66/85/1075656685.db2.gz GWBOIQMJTBLTNM-INIZCTEOSA-N 1 0 402.547 1.196 20 0 HDADRO COC1(CO)CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000676723498 1075659533 /nfs/dbraw/zinc/65/95/33/1075659533.db2.gz WZDKZHQXTJJRFB-LJQANCHMSA-N 1 0 417.550 1.403 20 0 HDADRO COc1ccccc1NC(=O)CN1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000676724677 1075660736 /nfs/dbraw/zinc/66/07/36/1075660736.db2.gz FWAMGFWRRPLZML-GOSISDBHSA-N 1 0 415.538 1.445 20 0 HDADRO CCOCC[NH+]1CCN(Cn2c3cc(C(=O)OCC)ccc3n(CC)c2=O)CC1 ZINC000732180943 1075662636 /nfs/dbraw/zinc/66/26/36/1075662636.db2.gz VCDRSDXEPIOXEB-UHFFFAOYSA-N 1 0 404.511 1.611 20 0 HDADRO COc1ccccc1[C@@H](CNC(=O)c1cc(S(N)(=O)=O)cn1C)[NH+]1CCCC1 ZINC000027572464 1075662738 /nfs/dbraw/zinc/66/27/38/1075662738.db2.gz SGTKDYNUCJAOQQ-QGZVFWFLSA-N 1 0 406.508 1.248 20 0 HDADRO O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000732211566 1075667973 /nfs/dbraw/zinc/66/79/73/1075667973.db2.gz WFYOPYRIFJBXHJ-LJQANCHMSA-N 1 0 404.555 1.324 20 0 HDADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000676747578 1075669814 /nfs/dbraw/zinc/66/98/14/1075669814.db2.gz HVEWWZCSSMCOEW-MAUKXSAKSA-N 1 0 422.551 1.007 20 0 HDADRO O=C(NCc1nncn1C1CC1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000429461717 1075671914 /nfs/dbraw/zinc/67/19/14/1075671914.db2.gz MBCDGJVUIKWNCB-UHFFFAOYSA-N 1 0 400.508 1.417 20 0 HDADRO CN(CC(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001649127622 1075673353 /nfs/dbraw/zinc/67/33/53/1075673353.db2.gz OXSKFSOLLQMAEP-FQEVSTJZSA-N 1 0 415.559 1.601 20 0 HDADRO NS(=O)(=O)c1ccc(CC[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000732204781 1075676190 /nfs/dbraw/zinc/67/61/90/1075676190.db2.gz RXDJIOYBUVKSFZ-UHFFFAOYSA-N 1 0 414.531 1.616 20 0 HDADRO CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](O)c3cccc(OC)c3)cn2)CC1 ZINC000732239353 1075676974 /nfs/dbraw/zinc/67/69/74/1075676974.db2.gz RLNKPYQLHASGEH-FQEVSTJZSA-N 1 0 413.522 1.765 20 0 HDADRO COCc1cccc2sc(NC(=O)C(=O)N[C@H](C)CN3CC[NH+](C)CC3)nc21 ZINC000429464502 1075678144 /nfs/dbraw/zinc/67/81/44/1075678144.db2.gz CTXPUVAXXREYAN-CYBMUJFWSA-N 1 0 405.524 1.133 20 0 HDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000732249736 1075680157 /nfs/dbraw/zinc/68/01/57/1075680157.db2.gz SKVDUIGTFZUDAU-INIZCTEOSA-N 1 0 419.551 1.337 20 0 HDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000732254085 1075680553 /nfs/dbraw/zinc/68/05/53/1075680553.db2.gz SINCTXXKOZVIPP-PBHICJAKSA-N 1 0 411.344 1.778 20 0 HDADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000732223083 1075680909 /nfs/dbraw/zinc/68/09/09/1075680909.db2.gz MYLQRFZZRKBRNV-UHFFFAOYSA-N 1 0 402.480 1.428 20 0 HDADRO CC1CC[NH+](C2CCC(NC(=O)N3CCN(c4nc(N)ns4)CC3)CC2)CC1 ZINC000502788208 1075682219 /nfs/dbraw/zinc/68/22/19/1075682219.db2.gz KZAIYMSBSWNDBQ-UHFFFAOYSA-N 1 0 407.588 1.995 20 0 HDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccccc1CN1C(=O)CNC1=O ZINC000732232452 1075684720 /nfs/dbraw/zinc/68/47/20/1075684720.db2.gz CUPQTEMSVMBJQQ-INIZCTEOSA-N 1 0 403.483 1.097 20 0 HDADRO CCc1ccccc1Nc1nc(N)nc(CN2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000471157991 1075685533 /nfs/dbraw/zinc/68/55/33/1075685533.db2.gz AVHLZTLPOYUVLJ-GOSISDBHSA-N 1 0 410.570 1.394 20 0 HDADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000509435347 1075691056 /nfs/dbraw/zinc/69/10/56/1075691056.db2.gz JPCKLFNYDBNTSI-VQTJNVASSA-N 1 0 415.582 1.411 20 0 HDADRO CCO[C@H]1C[C@H](NC(=O)NCCCC[NH+]2CCN(CCO)CC2)C12CCCCC2 ZINC000429464428 1075693090 /nfs/dbraw/zinc/69/30/90/1075693090.db2.gz VXUYCXIUPGQNCP-PMACEKPBSA-N 1 0 410.603 1.804 20 0 HDADRO CN1CCN([C@@H](C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2)CC1 ZINC000732307487 1075695771 /nfs/dbraw/zinc/69/57/71/1075695771.db2.gz HDFFPLLFTRFSHR-FGZHOGPDSA-N 1 0 400.567 1.735 20 0 HDADRO Cn1nnnc1-c1cccc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000466742659 1075696923 /nfs/dbraw/zinc/69/69/23/1075696923.db2.gz ZKNMOALRKFJPHT-UHFFFAOYSA-N 1 0 400.508 1.460 20 0 HDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000486225694 1075698797 /nfs/dbraw/zinc/69/87/97/1075698797.db2.gz LLPXMWVGUYMXKV-DNVCBOLYSA-N 1 0 409.538 1.522 20 0 HDADRO CC(C)(C)N1C[C@@H](NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1=O ZINC000429468318 1075698819 /nfs/dbraw/zinc/69/88/19/1075698819.db2.gz IJDBEBNMIWVZMY-SFHVURJKSA-N 1 0 421.586 1.410 20 0 HDADRO Cn1c2cc(C[N@@H+]3CC[C@@H]4CCN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)C[C@@H]43)ccc2oc1=O ZINC001084993074 1075699204 /nfs/dbraw/zinc/69/92/04/1075699204.db2.gz KJWRTJSLAAAMFD-PWXSHGHYSA-N 1 0 423.513 1.978 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](COC)C1 ZINC001545675535 1075701085 /nfs/dbraw/zinc/70/10/85/1075701085.db2.gz ZRZIEDGWKAVPHQ-IEBWSBKVSA-N 1 0 402.543 1.846 20 0 HDADRO CN(C)C(=O)Cn1cnc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000475830090 1075710534 /nfs/dbraw/zinc/71/05/34/1075710534.db2.gz ITULJLNTNDJXNW-AYHJJNSGSA-N 1 0 411.510 1.683 20 0 HDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000605935087 1075711535 /nfs/dbraw/zinc/71/15/35/1075711535.db2.gz NZARRWYMNQTBGE-QZTJIDSGSA-N 1 0 420.558 1.622 20 0 HDADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)NCCc3nc(N)no3)CC2)c1 ZINC000437939463 1075715121 /nfs/dbraw/zinc/71/51/21/1075715121.db2.gz ZDGWWBAZWPZEDL-UHFFFAOYSA-N 1 0 401.515 1.404 20 0 HDADRO C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512461890 1075716943 /nfs/dbraw/zinc/71/69/43/1075716943.db2.gz GJQDOMCMRBQNRI-IEBWSBKVSA-N 1 0 410.570 1.473 20 0 HDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000509254534 1075724839 /nfs/dbraw/zinc/72/48/39/1075724839.db2.gz BKAPJVZNAYHNCC-CVEARBPZSA-N 1 0 414.597 1.742 20 0 HDADRO Cn1nc(NC(=O)C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1C1CC1 ZINC000582755754 1075726967 /nfs/dbraw/zinc/72/69/67/1075726967.db2.gz LFXJHAASWUPRLA-UHFFFAOYSA-N 1 0 409.534 2.403 20 0 HDADRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)C(C)(C)C ZINC000469221367 1075727291 /nfs/dbraw/zinc/72/72/91/1075727291.db2.gz NQNPBVZWAMQIEC-KRWDZBQOSA-N 1 0 400.527 1.942 20 0 HDADRO Nc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)nc2ccccc12 ZINC000485546176 1075727677 /nfs/dbraw/zinc/72/76/77/1075727677.db2.gz GBZGVNDCXWKBNJ-RTBURBONSA-N 1 0 409.538 1.666 20 0 HDADRO CCn1nc(C(=O)OCC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)ccc1=O 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FWQCLCXOHGYOGT-OAHLLOKOSA-N 1 0 409.437 2.300 20 0 HDADRO C[NH+](C)Cc1cc(CNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)ccc1F ZINC000502023346 1075742564 /nfs/dbraw/zinc/74/25/64/1075742564.db2.gz LDZREIOOTLNYOX-UHFFFAOYSA-N 1 0 414.441 1.899 20 0 HDADRO CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1)C(C)C ZINC000429476959 1075747313 /nfs/dbraw/zinc/74/73/13/1075747313.db2.gz QUPGESXAEZMJSJ-KRWDZBQOSA-N 1 0 417.554 1.134 20 0 HDADRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000550742198 1075751653 /nfs/dbraw/zinc/75/16/53/1075751653.db2.gz AKMLXCZOCIZJGK-GFCCVEGCSA-N 1 0 408.300 2.030 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530842207 1075752048 /nfs/dbraw/zinc/75/20/48/1075752048.db2.gz JGDJDTNNXIICQM-INIZCTEOSA-N 1 0 401.902 1.938 20 0 HDADRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509265730 1075758677 /nfs/dbraw/zinc/75/86/77/1075758677.db2.gz BFURHPKCMBGQOZ-GJZGRUSLSA-N 1 0 400.570 1.352 20 0 HDADRO C[NH+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000732481096 1075758870 /nfs/dbraw/zinc/75/88/70/1075758870.db2.gz YIARDPPPDIQOCN-UHFFFAOYSA-N 1 0 404.511 1.986 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(OC(F)(F)F)cc1 ZINC000436650442 1075764760 /nfs/dbraw/zinc/76/47/60/1075764760.db2.gz VXNCDEUOFNLLND-LBPRGKRZSA-N 1 0 413.400 2.159 20 0 HDADRO CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000467674373 1075772755 /nfs/dbraw/zinc/77/27/55/1075772755.db2.gz ADURXPNPYWKZCG-UHFFFAOYSA-N 1 0 423.535 1.968 20 0 HDADRO CN(c1ccccc1)C1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427575398 1075773430 /nfs/dbraw/zinc/77/34/30/1075773430.db2.gz UEOMXHNSHZCADM-UHFFFAOYSA-N 1 0 424.549 2.216 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000804224462 1075776357 /nfs/dbraw/zinc/77/63/57/1075776357.db2.gz QCTHCIKDQJHXOS-NVXWUHKLSA-N 1 0 410.559 1.739 20 0 HDADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000732488912 1075777183 /nfs/dbraw/zinc/77/71/83/1075777183.db2.gz XLUHYKZLCPQCOZ-IBGZPJMESA-N 1 0 400.523 1.733 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCCN4c5ccccc5C[C@@H]4C3)n2)CC1 ZINC000576747626 1075778310 /nfs/dbraw/zinc/77/83/10/1075778310.db2.gz QMEOTXGNMABQEN-LJQANCHMSA-N 1 0 422.533 1.752 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@@H](CO)c3ccccc3Cl)n2)CC1 ZINC000510476205 1075779668 /nfs/dbraw/zinc/77/96/68/1075779668.db2.gz FGFPNKFHFMJFBG-AWEZNQCLSA-N 1 0 419.913 1.634 20 0 HDADRO COCC[NH+]1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC000142452002 1075779901 /nfs/dbraw/zinc/77/99/01/1075779901.db2.gz SMBLGECVPCQIDY-UHFFFAOYSA-N 1 0 401.504 1.353 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)n2)CC1 ZINC000437043374 1075780503 /nfs/dbraw/zinc/78/05/03/1075780503.db2.gz ZCLJBWJYBIUIQZ-XJKSGUPXSA-N 1 0 421.423 2.178 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CCOc4c(Cl)cccc43)n2)CC1 ZINC000427014532 1075780587 /nfs/dbraw/zinc/78/05/87/1075780587.db2.gz HIWCVRYCWKWUAV-MRXNPFEDSA-N 1 0 417.897 2.382 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)Nc3ccc(Br)cc3)n2)CC1 ZINC000579912409 1075781100 /nfs/dbraw/zinc/78/11/00/1075781100.db2.gz OIALMZVSHDORTA-UHFFFAOYSA-N 1 0 406.284 2.490 20 0 HDADRO CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)c1 ZINC000732540750 1075781737 /nfs/dbraw/zinc/78/17/37/1075781737.db2.gz QJVXJGWMZCHEGR-UHFFFAOYSA-N 1 0 407.467 1.985 20 0 HDADRO CC(=O)N1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)Oc2ccccc21 ZINC000732558415 1075785305 /nfs/dbraw/zinc/78/53/05/1075785305.db2.gz AHHMUHHSGXKLBY-RXVVDRJESA-N 1 0 400.523 1.427 20 0 HDADRO CN(C(=O)CCC(=O)N1CCOc2ccccc21)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732560230 1075785970 /nfs/dbraw/zinc/78/59/70/1075785970.db2.gz WSWMTPJRYURKOE-LJQANCHMSA-N 1 0 414.550 1.819 20 0 HDADRO CC(C)(C)n1cnc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)n1 ZINC000541400484 1075788593 /nfs/dbraw/zinc/78/85/93/1075788593.db2.gz 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1.920 20 0 HDADRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c1 ZINC000509275183 1075798773 /nfs/dbraw/zinc/79/87/73/1075798773.db2.gz RRQUDCWVPPDRDU-SJORKVTESA-N 1 0 413.478 1.984 20 0 HDADRO O=C(c1sccc1S(=O)(=O)N1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000041999282 1075801044 /nfs/dbraw/zinc/80/10/44/1075801044.db2.gz SQVPORIXAFGSNF-UHFFFAOYSA-N 1 0 406.533 1.890 20 0 HDADRO O=S1(=O)CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000463191711 1075801342 /nfs/dbraw/zinc/80/13/42/1075801342.db2.gz NPRZJMDXWHEUJJ-UHFFFAOYSA-N 1 0 403.342 1.953 20 0 HDADRO O=S(=O)(NCC[NH2+]C1CCS(=O)(=O)CC1)c1cccc(Cl)c1Cl ZINC000463251065 1075801565 /nfs/dbraw/zinc/80/15/65/1075801565.db2.gz SQCZBZOMOMRESN-UHFFFAOYSA-N 1 0 401.337 1.439 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000143005648 1075801602 /nfs/dbraw/zinc/80/16/02/1075801602.db2.gz IHAWCZPGHYEWJE-SFHVURJKSA-N 1 0 418.469 1.641 20 0 HDADRO 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ZINC000727070970 1076038369 /nfs/dbraw/zinc/03/83/69/1076038369.db2.gz RSLMYBLKWYIGOB-UHFFFAOYSA-N 1 0 417.601 1.060 20 0 HDADRO COc1cccc(C(=O)N2CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)c1OC ZINC000727084931 1076040651 /nfs/dbraw/zinc/04/06/51/1076040651.db2.gz ZCZFODYUWOGQTB-UHFFFAOYSA-N 1 0 422.595 1.924 20 0 HDADRO C[NH+]1CCN(Cc2ccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)cc2)CC1 ZINC000733340717 1076046475 /nfs/dbraw/zinc/04/64/75/1076046475.db2.gz OYDDHWJGSHWIPR-UHFFFAOYSA-N 1 0 410.584 1.447 20 0 HDADRO NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000727109357 1076046762 /nfs/dbraw/zinc/04/67/62/1076046762.db2.gz FGOKFJAQVJKZHM-GSSTWSARSA-N 1 0 410.518 1.486 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC000727105488 1076052057 /nfs/dbraw/zinc/05/20/57/1076052057.db2.gz FTACDZMYSVIPQR-UHFFFAOYSA-N 1 0 415.531 1.743 20 0 HDADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001082652185 1076061677 /nfs/dbraw/zinc/06/16/77/1076061677.db2.gz JWJHEUSGCSKNEL-XVCYEZIBSA-N 1 0 404.532 1.450 20 0 HDADRO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001082657935 1076062159 /nfs/dbraw/zinc/06/21/59/1076062159.db2.gz DFUHRCLTAZTKLP-VQWWJCQQSA-N 1 0 402.495 1.048 20 0 HDADRO CC(=O)N[C@H](C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)C ZINC000733381348 1076064001 /nfs/dbraw/zinc/06/40/01/1076064001.db2.gz WSTSPMLJYDLDFX-IBGZPJMESA-N 1 0 407.536 1.878 20 0 HDADRO NS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)sc1Br ZINC000727177715 1076067977 /nfs/dbraw/zinc/06/79/77/1076067977.db2.gz DIXHNFWPDIJZDQ-SECBINFHSA-N 1 0 408.343 1.468 20 0 HDADRO S=c1n(CN2CC[C@H]([NH+]3CCCC3)C2)nc(N2CCOCC2)n1C[C@H]1CCCO1 ZINC000727169554 1076068781 /nfs/dbraw/zinc/06/87/81/1076068781.db2.gz JTFOBDHHWGHFPO-ZWKOTPCHSA-N 1 0 422.599 1.557 20 0 HDADRO FC(F)(F)Cn1c(=S)n(CN2CC[C@@H]([NH+]3CCCC3)C2)nc1N1CCOCC1 ZINC000727169191 1076068802 /nfs/dbraw/zinc/06/88/02/1076068802.db2.gz DZWRPFITUULZMY-CQSZACIVSA-N 1 0 420.505 1.941 20 0 HDADRO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](CCC(N)=O)C3)CC2)c(F)c1 ZINC000727158351 1076071245 /nfs/dbraw/zinc/07/12/45/1076071245.db2.gz NZGPNZBCWMCMGZ-KRWDZBQOSA-N 1 0 418.513 1.654 20 0 HDADRO CN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000727161445 1076072550 /nfs/dbraw/zinc/07/25/50/1076072550.db2.gz YULIMMJQJLUUBE-UHFFFAOYSA-N 1 0 417.535 1.900 20 0 HDADRO O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000727178201 1076072806 /nfs/dbraw/zinc/07/28/06/1076072806.db2.gz OCBSEMMFYPPWMN-INIZCTEOSA-N 1 0 411.499 1.157 20 0 HDADRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](CCC(N)=O)C3)cc2)CC1 ZINC000727231687 1076085878 /nfs/dbraw/zinc/08/58/78/1076085878.db2.gz SAEMVKCOPQGECM-QGZVFWFLSA-N 1 0 415.538 1.271 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000727402443 1076114925 /nfs/dbraw/zinc/11/49/25/1076114925.db2.gz ZRPLECQIANNNIH-UHFFFAOYSA-N 1 0 406.527 1.898 20 0 HDADRO C[C@@H](OC(=O)COC[C@@H]1CCCO1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000733592431 1076119170 /nfs/dbraw/zinc/11/91/70/1076119170.db2.gz BCBVBZWWWASTRN-XLIONFOSSA-N 1 0 404.507 1.895 20 0 HDADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)COC[C@H]2CCCO2)CC1 ZINC000733594624 1076121311 /nfs/dbraw/zinc/12/13/11/1076121311.db2.gz GISURWIQFILTBX-HXUWFJFHSA-N 1 0 404.507 1.768 20 0 HDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000733648367 1076140259 /nfs/dbraw/zinc/14/02/59/1076140259.db2.gz IFEHMSWIEPFXJA-LEWJYISDSA-N 1 0 417.554 1.179 20 0 HDADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)C1 ZINC000733671473 1076152790 /nfs/dbraw/zinc/15/27/90/1076152790.db2.gz VQXYFYAKNKJWGZ-LBPRGKRZSA-N 1 0 410.400 1.635 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)cc2)CC1 ZINC000733671039 1076153329 /nfs/dbraw/zinc/15/33/29/1076153329.db2.gz SBDRICCMYIYWLJ-INIZCTEOSA-N 1 0 424.567 1.049 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](OC)C(F)(F)F)cc2)CC1 ZINC000733675362 1076157415 /nfs/dbraw/zinc/15/74/15/1076157415.db2.gz XYNYYFPXJXSXES-INIZCTEOSA-N 1 0 416.444 1.456 20 0 HDADRO COCCCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727608267 1076178535 /nfs/dbraw/zinc/17/85/35/1076178535.db2.gz XZVATKCPSBQKER-UHFFFAOYSA-N 1 0 404.511 1.982 20 0 HDADRO CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1 ZINC000727610353 1076180463 /nfs/dbraw/zinc/18/04/63/1076180463.db2.gz KPGFZFQPVSFEFD-UHFFFAOYSA-N 1 0 409.462 1.086 20 0 HDADRO COC(=O)Nc1cc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1F ZINC000727613472 1076182718 /nfs/dbraw/zinc/18/27/18/1076182718.db2.gz ZUWUHOLCPNYNRD-UHFFFAOYSA-N 1 0 401.398 1.686 20 0 HDADRO CC(C)[C@@H](CNC(=O)NCCN(C(=O)OC(C)(C)C)C1CC1)[NH+]1CCN(C)CC1 ZINC000727599146 1076185877 /nfs/dbraw/zinc/18/58/77/1076185877.db2.gz GJBXEOWBHMEEMX-GOSISDBHSA-N 1 0 411.591 1.957 20 0 HDADRO CC(C)(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000527204356 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ABYRKNDODSVQAD-UHFFFAOYSA-N 1 0 404.511 1.334 20 0 HDADRO CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000733853189 1076228701 /nfs/dbraw/zinc/22/87/01/1076228701.db2.gz OGLFCGWWRDJVOH-YFHOEESVSA-N 1 0 403.479 1.428 20 0 HDADRO CC(C)(C)OC(=O)NC1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000733856016 1076232389 /nfs/dbraw/zinc/23/23/89/1076232389.db2.gz ODJGCHWTLLKXLE-UHFFFAOYSA-N 1 0 414.466 1.722 20 0 HDADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000733856818 1076233475 /nfs/dbraw/zinc/23/34/75/1076233475.db2.gz ZSURHMDFVSOYIL-CQSZACIVSA-N 1 0 414.466 1.722 20 0 HDADRO CC(C)(C)n1cc(NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cn1 ZINC000532595362 1076238489 /nfs/dbraw/zinc/23/84/89/1076238489.db2.gz LBDDAGYKZUTQMI-UHFFFAOYSA-N 1 0 405.543 1.976 20 0 HDADRO C[NH+](C)CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 ZINC000733882152 1076238587 /nfs/dbraw/zinc/23/85/87/1076238587.db2.gz BUKRIUXUXHDLDL-UHFFFAOYSA-N 1 0 413.515 1.260 20 0 HDADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 ZINC000733882893 1076238886 /nfs/dbraw/zinc/23/88/86/1076238886.db2.gz XRQJMCPZXNYICU-UHFFFAOYSA-N 1 0 410.522 1.722 20 0 HDADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000533830203 1076245421 /nfs/dbraw/zinc/24/54/21/1076245421.db2.gz ZBRLXFKUFHVGSX-HXUWFJFHSA-N 1 0 423.517 1.818 20 0 HDADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CSc2nc3ccccc3[nH]2)cn1 ZINC000536180583 1076256010 /nfs/dbraw/zinc/25/60/10/1076256010.db2.gz WNCUXHFPRMPGHB-UHFFFAOYSA-N 1 0 401.496 1.168 20 0 HDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000536532029 1076256689 /nfs/dbraw/zinc/25/66/89/1076256689.db2.gz NAQFTIALLFFVMQ-GOEBONIOSA-N 1 0 422.455 1.844 20 0 HDADRO CNC(=O)C1([NH2+]CC(=O)Nc2ccccc2I)CCCC1 ZINC000733896190 1076257059 /nfs/dbraw/zinc/25/70/59/1076257059.db2.gz JOEHRFISMMUWQY-UHFFFAOYSA-N 1 0 401.248 1.878 20 0 HDADRO CS(=O)(=O)NCCNC(=S)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903518 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COCC[N@H+](C)CCOc1cccc(CNC(=O)N2CCC(C3OCCO3)CC2)c1 ZINC000727944352 1076292539 /nfs/dbraw/zinc/29/25/39/1076292539.db2.gz NDZFLRNVXVGIEN-UHFFFAOYSA-N 1 0 421.538 1.938 20 0 HDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3cnc(OC)nc3)CC2)cc1 ZINC000734047740 1076298753 /nfs/dbraw/zinc/29/87/53/1076298753.db2.gz WDQHTOSPKLIWTN-UHFFFAOYSA-N 1 0 414.462 1.385 20 0 HDADRO CCc1ccccc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H]2C1 ZINC001083151758 1076317054 /nfs/dbraw/zinc/31/70/54/1076317054.db2.gz SBYSQADSDAROBL-RTOMLYRKSA-N 1 0 400.519 1.712 20 0 HDADRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3OCCO3)C2)c(=O)n(-c2ccccc2)n1C ZINC000728053425 1076320974 /nfs/dbraw/zinc/32/09/74/1076320974.db2.gz JYIZPPVQVQBMTF-SJORKVTESA-N 1 0 414.506 1.896 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(CN3C(=O)CSC3=O)c2)C1 ZINC000728078172 1076334607 /nfs/dbraw/zinc/33/46/07/1076334607.db2.gz VGFIPSOQPYGGAF-INIZCTEOSA-N 1 0 418.519 1.199 20 0 HDADRO 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ZINC000024652176 1076345723 /nfs/dbraw/zinc/34/57/23/1076345723.db2.gz IRDYAOIUTJESDX-UHFFFAOYSA-N 1 0 406.486 1.992 20 0 HDADRO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000024612695 1076345747 /nfs/dbraw/zinc/34/57/47/1076345747.db2.gz URECHLOKLAGZSR-UHFFFAOYSA-N 1 0 406.486 1.814 20 0 HDADRO CC1=CC[N@H+](CCNC(=O)C(=O)N2CCC3(CC2)OCCc2ccsc23)CC1 ZINC000498935211 1076355872 /nfs/dbraw/zinc/35/58/72/1076355872.db2.gz DPYCPFCTECMDAG-UHFFFAOYSA-N 1 0 403.548 1.907 20 0 HDADRO C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001006209146 1076360718 /nfs/dbraw/zinc/36/07/18/1076360718.db2.gz USIKQJZESOURJV-XTENKEOPSA-N 1 0 403.548 1.810 20 0 HDADRO CNS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000029656802 1076363056 /nfs/dbraw/zinc/36/30/56/1076363056.db2.gz CCHHXPPYXWVJPH-GOSISDBHSA-N 1 0 420.535 1.965 20 0 HDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCCC[C@@H]3C3OCCO3)CC2)cc1 ZINC000728174845 1076364979 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20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000730228433 1076486121 /nfs/dbraw/zinc/48/61/21/1076486121.db2.gz UHHURFAACPRCIT-UYAOXDASSA-N 1 0 402.539 1.930 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000730228178 1076486321 /nfs/dbraw/zinc/48/63/21/1076486321.db2.gz QRZDZIAZCRLUJO-AWEZNQCLSA-N 1 0 414.547 1.268 20 0 HDADRO O=C(C[NH+]1CCC(CCO)CC1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000730260153 1076502241 /nfs/dbraw/zinc/50/22/41/1076502241.db2.gz BHBCSISFHFOVIW-MFOYZWKCSA-N 1 0 421.563 1.226 20 0 HDADRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000730261753 1076502538 /nfs/dbraw/zinc/50/25/38/1076502538.db2.gz BJPGMHCUSYOGAO-CQSZACIVSA-N 1 0 423.514 1.261 20 0 HDADRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000730261349 1076503234 /nfs/dbraw/zinc/50/32/34/1076503234.db2.gz IBCBEILLLJLMLL-QKBHPVBBSA-N 1 0 421.563 1.367 20 0 HDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000730281166 1076512078 /nfs/dbraw/zinc/51/20/78/1076512078.db2.gz DPQDJBVYOUAABC-GOSISDBHSA-N 1 0 414.506 1.133 20 0 HDADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000730276668 1076519011 /nfs/dbraw/zinc/51/90/11/1076519011.db2.gz QGXSAEPJTWQFPB-UHFFFAOYSA-N 1 0 417.579 1.899 20 0 HDADRO CCC[N@H+](C)CC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000730279206 1076520422 /nfs/dbraw/zinc/52/04/22/1076520422.db2.gz LECCBMRDSJUSHM-QGZVFWFLSA-N 1 0 410.559 1.646 20 0 HDADRO CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000730309044 1076523171 /nfs/dbraw/zinc/52/31/71/1076523171.db2.gz DJSFKBRJNVHXBY-HNAYVOBHSA-N 1 0 419.547 1.620 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)C1 ZINC000730385139 1076553499 /nfs/dbraw/zinc/55/34/99/1076553499.db2.gz PJVMOWKBEMBSIN-HNNXBMFYSA-N 1 0 403.458 1.423 20 0 HDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000730538869 1076585369 /nfs/dbraw/zinc/58/53/69/1076585369.db2.gz ASYBAIWGOLUWFF-SLFFLAALSA-N 1 0 421.563 1.208 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000730555877 1076594254 /nfs/dbraw/zinc/59/42/54/1076594254.db2.gz AIGRAOPKXMTDPG-UHFFFAOYSA-N 1 0 417.487 1.800 20 0 HDADRO CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000730561494 1076602944 /nfs/dbraw/zinc/60/29/44/1076602944.db2.gz GSYHDKMTDSBVQM-GOSISDBHSA-N 1 0 424.567 1.111 20 0 HDADRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C(C)C)cc1 ZINC000730568050 1076604330 /nfs/dbraw/zinc/60/43/30/1076604330.db2.gz ARQDPFYZVGPRGY-QFBILLFUSA-N 1 0 407.511 1.342 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 ZINC000730575433 1076608469 /nfs/dbraw/zinc/60/84/69/1076608469.db2.gz PBXHLGXZJQMDKJ-QGZVFWFLSA-N 1 0 405.520 1.584 20 0 HDADRO CC(C)N1C(=O)c2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2S1(=O)=O ZINC000730779111 1076652536 /nfs/dbraw/zinc/65/25/36/1076652536.db2.gz GPRKSXNEZDGYSM-MRXNPFEDSA-N 1 0 405.520 1.940 20 0 HDADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2=O)cc1 ZINC000730796697 1076653071 /nfs/dbraw/zinc/65/30/71/1076653071.db2.gz NPFKJMOCPPOYIO-JTSKRJEESA-N 1 0 414.506 1.549 20 0 HDADRO Cn1ccnc1[C@](O)(CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C(F)(F)F ZINC000730823924 1076662585 /nfs/dbraw/zinc/66/25/85/1076662585.db2.gz QICKEQDMROGZFH-RHSMWYFYSA-N 1 0 403.449 1.830 20 0 HDADRO NC(=O)CCc1nn(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(=S)n1C[C@@H]1CCCO1 ZINC000730804916 1076665178 /nfs/dbraw/zinc/66/51/78/1076665178.db2.gz NGHGPDTWHMOUEL-SJORKVTESA-N 1 0 422.599 1.529 20 0 HDADRO COC1CC[NH+](C(C)(C)CNC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000730842395 1076671134 /nfs/dbraw/zinc/67/11/34/1076671134.db2.gz YVCOEEZOBKOAGY-VBKFSLOCSA-N 1 0 423.579 1.972 20 0 HDADRO 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ZINC001164814110 720217163 /nfs/dbraw/zinc/21/71/63/720217163.db2.gz UJDYVAKCIDYNCA-UHFFFAOYSA-N 1 0 400.483 1.461 20 0 HDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1ncn3C)CCC2 ZINC001164812796 720219347 /nfs/dbraw/zinc/21/93/47/720219347.db2.gz JAJBTICLFQZHHN-UHFFFAOYSA-N 1 0 416.917 1.824 20 0 HDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1ncn3C1CC1)CCC2 ZINC001164813938 720237917 /nfs/dbraw/zinc/23/79/17/720237917.db2.gz SHIHXBQNVLUJDM-UHFFFAOYSA-N 1 0 408.510 1.968 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(C(N)=O)c(Cl)cn2)CC1 ZINC001164827930 720297032 /nfs/dbraw/zinc/29/70/32/720297032.db2.gz YOFBWOONQHWBJC-DLBZAZTESA-N 1 0 405.930 1.745 20 0 HDADRO CC(C)OC(=O)c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164824584 720303870 /nfs/dbraw/zinc/30/38/70/720303870.db2.gz RWQLQLIVMQWFRZ-MOPGFXCFSA-N 1 0 415.538 1.953 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)ncc2C(N)=O)CC1 ZINC001164821634 720304094 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DUAGZJZFDLKLIA-HOTGVXAUSA-N 1 0 405.930 1.745 20 0 HDADRO C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c21 ZINC001164824741 720320358 /nfs/dbraw/zinc/32/03/58/720320358.db2.gz DBFZEJDWZVOZNW-DJIMGWMZSA-N 1 0 412.538 1.834 20 0 HDADRO CCOC(=O)c1c(C)ncnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827151 720320521 /nfs/dbraw/zinc/32/05/21/720320521.db2.gz GYJLKCYMWVDVRX-QZTJIDSGSA-N 1 0 415.538 1.873 20 0 HDADRO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2cccc(N3CC[NH+](C)CC3)n2)O1 ZINC001164724940 720322292 /nfs/dbraw/zinc/32/22/92/720322292.db2.gz STNHQTDYSXWKFC-FHWLQOOXSA-N 1 0 417.554 1.065 20 0 HDADRO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2c2ccc(C[NH+]3CCCC3)cn2)O1 ZINC001164723139 720323350 /nfs/dbraw/zinc/32/33/50/720323350.db2.gz HAVATZFTYVDRBQ-ZCNNSNEGSA-N 1 0 402.539 1.909 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(S(C)(=O)=O)cn2)CC1 ZINC001164825469 720334194 /nfs/dbraw/zinc/33/41/94/720334194.db2.gz FJLQKZSWMKQOID-MSOLQXFVSA-N 1 0 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CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(N5CCCC5)n4)C3)O2)CC1 ZINC001164888050 721379151 /nfs/dbraw/zinc/37/91/51/721379151.db2.gz JFAHCIVMJISXFP-DENIHFKCSA-N 1 0 400.571 1.842 20 0 HDADRO CN(C)c1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889954 721380750 /nfs/dbraw/zinc/38/07/50/721380750.db2.gz NBBASZFOHYBDKZ-OXJNMPFZSA-N 1 0 408.978 1.961 20 0 HDADRO COC(=O)c1cc(F)cnc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886174 721385199 /nfs/dbraw/zinc/38/51/99/721385199.db2.gz DPGLWDLCXNSMGV-DYESRHJHSA-N 1 0 406.502 1.773 20 0 HDADRO CCOC(=O)Cc1cccnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164884966 721390621 /nfs/dbraw/zinc/39/06/21/721390621.db2.gz BEYSDCUSHDAFPR-NZQKXSOJSA-N 1 0 416.566 1.953 20 0 HDADRO COC(=O)Cc1cccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164886500 721406565 /nfs/dbraw/zinc/40/65/65/721406565.db2.gz JFCKKXDYSCHOSG-SIKLNZKXSA-N 1 0 402.539 1.563 20 0 HDADRO CCOC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cn1 ZINC001164891376 721408012 /nfs/dbraw/zinc/40/80/12/721408012.db2.gz VONHMSMPDNJWLZ-UTKZUKDTSA-N 1 0 403.527 1.419 20 0 HDADRO C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c21 ZINC001164886276 721413749 /nfs/dbraw/zinc/41/37/49/721413749.db2.gz IPQMBRUMRRPZKA-JLHGSKIFSA-N 1 0 414.554 1.688 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc5c4CNC5=O)C3)O2)CC1 ZINC001164888286 721421498 /nfs/dbraw/zinc/42/14/98/721421498.db2.gz NYVUEFWNPZCIRZ-QVKFZJNVSA-N 1 0 419.957 1.744 20 0 HDADRO CCNC(=O)c1cccnc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891958 721422031 /nfs/dbraw/zinc/42/20/31/721422031.db2.gz WZEGQKLPENUABL-PGRDOPGGSA-N 1 0 401.555 1.597 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cncc(N5CCCC5)n4)C3)O2)CC1 ZINC001164897718 721424646 /nfs/dbraw/zinc/42/46/46/721424646.db2.gz UNUKOPMXAUSCTL-DENIHFKCSA-N 1 0 400.571 1.842 20 0 HDADRO COc1cnc2c(c1)ncnc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164895434 721428400 /nfs/dbraw/zinc/42/84/00/721428400.db2.gz PASIBPAHAGOTSZ-VGOFRKELSA-N 1 0 412.538 1.799 20 0 HDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(N)=O)CC2 ZINC001164790267 721450939 /nfs/dbraw/zinc/45/09/39/721450939.db2.gz XUMRFZMIMDVLQU-GOSISDBHSA-N 1 0 402.539 1.914 20 0 HDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(C(N)=O)nc(C5CC5)n4)C3)O2)CC1 ZINC001164892756 721453365 /nfs/dbraw/zinc/45/33/65/721453365.db2.gz XVZUARKFIRYCCL-JTSKRJEESA-N 1 0 414.554 1.218 20 0 HDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C(=O)OC)ncn1)CC2 ZINC001164786708 721458269 /nfs/dbraw/zinc/45/82/69/721458269.db2.gz PGIZWHVDOAGRFZ-GOSISDBHSA-N 1 0 418.538 1.997 20 0 HDADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(C(N)=O)n1)CC2 ZINC001164782725 721462293 /nfs/dbraw/zinc/46/22/93/721462293.db2.gz BFLLLIGPUJHRDI-GOSISDBHSA-N 1 0 402.539 1.914 20 0 HDADRO CC(C)C(=O)N[C@H]1COCCC12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164895940 721500295 /nfs/dbraw/zinc/50/02/95/721500295.db2.gz FTHVAYYOSUMGEP-SFHVURJKSA-N 1 0 416.570 1.376 20 0 HDADRO CC(C)C(=O)N[C@@H]1COCCC12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164895938 721500418 /nfs/dbraw/zinc/50/04/18/721500418.db2.gz FTHVAYYOSUMGEP-GOSISDBHSA-N 1 0 416.570 1.376 20 0 HDADRO COC(OC)c1cc(C)cnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164798243 721517453 /nfs/dbraw/zinc/51/74/53/721517453.db2.gz QJKYMROKQGVDFG-UHFFFAOYSA-N 1 0 400.527 1.646 20 0 HDADRO C[C@@H]1C(=O)Nc2cnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2N1C ZINC001164907130 721536978 /nfs/dbraw/zinc/53/69/78/721536978.db2.gz MFPLIPYHNLSPRD-KMFMINBZSA-N 1 0 412.469 1.734 20 0 HDADRO NS(=O)(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(F)c1 ZINC001164905967 721567315 /nfs/dbraw/zinc/56/73/15/721567315.db2.gz IGGYYNOXKOKDMZ-UKRRQHHQSA-N 1 0 410.446 1.349 20 0 HDADRO NS(=O)(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164908421 721587181 /nfs/dbraw/zinc/58/71/81/721587181.db2.gz ZBXIHDDCBCHERE-GOSISDBHSA-N 1 0 423.489 1.862 20 0 HDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3cc4c(cc32)OCCO4)CC1 ZINC001165009705 721732761 /nfs/dbraw/zinc/73/27/61/721732761.db2.gz ZIEXJNOYBJCMLM-UHFFFAOYSA-N 1 0 411.506 1.924 20 0 HDADRO COC(=O)Cc1c(Cl)ncnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010190 721734627 /nfs/dbraw/zinc/73/46/27/721734627.db2.gz FTKDWASGOJCRCI-UHFFFAOYSA-N 1 0 409.918 1.369 20 0 HDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)ncc2N2CCOCC2)CC1 ZINC001165011911 721738644 /nfs/dbraw/zinc/73/86/44/721738644.db2.gz XCOVLZUAQUMGII-UHFFFAOYSA-N 1 0 422.961 1.490 20 0 HDADRO CCc1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc(N2CCOCC2)n1 ZINC001165010006 721741737 /nfs/dbraw/zinc/74/17/37/721741737.db2.gz KQXDGLRUOAWWKS-UHFFFAOYSA-N 1 0 416.570 1.399 20 0 HDADRO COC(OC)c1c(CO)ccnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165009773 721742487 /nfs/dbraw/zinc/74/24/87/721742487.db2.gz IPUNFWRTUMWLDT-UHFFFAOYSA-N 1 0 406.527 1.388 20 0 HDADRO CC(C)NS(=O)(=O)c1ccc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1 ZINC001165010878 721745276 /nfs/dbraw/zinc/74/52/76/721745276.db2.gz QIPYCQPBABWRHK-UHFFFAOYSA-N 1 0 423.583 1.291 20 0 HDADRO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165012371 721750643 /nfs/dbraw/zinc/75/06/43/721750643.db2.gz GRSYVXWECRMOLP-CQSZACIVSA-N 1 0 423.945 1.930 20 0 HDADRO O=C([C@@H]1C[C@]2(CO1)CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2)N1CCOCC1 ZINC001165023707 721777134 /nfs/dbraw/zinc/77/71/34/721777134.db2.gz TZEPZEQZQIKTJU-NZQKXSOJSA-N 1 0 414.550 1.912 20 0 HDADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(N)(=O)=O)ccn3)C[C@H]21 ZINC001165024102 721827624 /nfs/dbraw/zinc/82/76/24/721827624.db2.gz JSWWILXJIMBASI-ATZDWAIDSA-N 1 0 401.536 1.861 20 0 HDADRO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(C5C[NH2+]C5)ncn4)CCO3)C2)cs1 ZINC001164920692 721834753 /nfs/dbraw/zinc/83/47/53/721834753.db2.gz AOKDGMZNPOWVQB-FQEVSTJZSA-N 1 0 416.551 1.036 20 0 HDADRO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC001164921226 721836372 /nfs/dbraw/zinc/83/63/72/721836372.db2.gz CNHDFOYONLZCNV-XXBNENTESA-N 1 0 423.565 1.888 20 0 HDADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)nc1 ZINC001164933023 721881434 /nfs/dbraw/zinc/88/14/34/721881434.db2.gz KVHJSFKIVBEPCF-OALUTQOASA-N 1 0 409.600 1.763 20 0 HDADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)nc1 ZINC001164933025 721881526 /nfs/dbraw/zinc/88/15/26/721881526.db2.gz KVHJSFKIVBEPCF-RTBURBONSA-N 1 0 409.600 1.763 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CC[C@H]4[C@H](CC(=O)NC5CCC5)OC[C@@H]4C3)nn2)CC1 ZINC001164929756 721895139 /nfs/dbraw/zinc/89/51/39/721895139.db2.gz AGNNMPJPLOQAFT-UHOSZYNNSA-N 1 0 414.554 1.129 20 0 HDADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@H]21 ZINC001164942748 721934957 /nfs/dbraw/zinc/93/49/57/721934957.db2.gz MUBLEICLUTVWRW-IAGOWNOFSA-N 1 0 404.902 1.470 20 0 HDADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@@H]21 ZINC001164942746 721934976 /nfs/dbraw/zinc/93/49/76/721934976.db2.gz MUBLEICLUTVWRW-DLBZAZTESA-N 1 0 404.902 1.470 20 0 HDADRO CC(C)(C)C(=O)Nc1ccnc(N2CCN(C(N)=O)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165044613 721940920 /nfs/dbraw/zinc/94/09/20/721940920.db2.gz OVGIHDJHEHFJAY-HNNXBMFYSA-N 1 0 418.542 1.081 20 0 HDADRO COC(=O)C1CCN(c2ccnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n2)CC1 ZINC001164967169 722074056 /nfs/dbraw/zinc/07/40/56/722074056.db2.gz MEXQHESKUQJNRC-HDICACEKSA-N 1 0 401.511 1.165 20 0 HDADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164983070 722126511 /nfs/dbraw/zinc/12/65/11/722126511.db2.gz XXGRPZCUOGYKBN-FUHWJXTLSA-N 1 0 422.489 1.867 20 0 HDADRO CNS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983732 722129285 /nfs/dbraw/zinc/12/92/85/722129285.db2.gz ZLDXUQQBQGJYPS-QZTJIDSGSA-N 1 0 417.535 1.112 20 0 HDADRO CC1(C)C(=O)Nc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164979678 722137203 /nfs/dbraw/zinc/13/72/03/722137203.db2.gz LSOLBWBAHKUSFN-SJORKVTESA-N 1 0 408.506 1.829 20 0 HDADRO Cc1cc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)C(=O)NC2=O ZINC001164984640 722138409 /nfs/dbraw/zinc/13/84/09/722138409.db2.gz YDCBNYHKGJYLMU-FUHWJXTLSA-N 1 0 407.474 1.396 20 0 HDADRO c1ncn(Cc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)n1 ZINC001164977028 722141665 /nfs/dbraw/zinc/14/16/65/722141665.db2.gz HUCUWBQSJIDWBK-NHCUHLMSSA-N 1 0 405.506 1.844 20 0 HDADRO O=c1ccccn1-c1nccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984173 722145804 /nfs/dbraw/zinc/14/58/04/722145804.db2.gz VZGLUORVFBXXCA-VQTJNVASSA-N 1 0 418.501 1.750 20 0 HDADRO Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5c4CC[NH2+]C5)CC[C@H]32)cs1 ZINC001164984122 722178053 /nfs/dbraw/zinc/17/80/53/722178053.db2.gz CYVQDLCAPKOJIK-RTBURBONSA-N 1 0 400.552 1.757 20 0 HDADRO CCNS(=O)(=O)c1cccnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002665 722254862 /nfs/dbraw/zinc/25/48/62/722254862.db2.gz SALMONFHMONRAY-UHFFFAOYSA-N 1 0 422.555 1.065 20 0 HDADRO COC(=O)CSc1cncc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004011 722257013 /nfs/dbraw/zinc/25/70/13/722257013.db2.gz LIIPLIVETHOCAA-UHFFFAOYSA-N 1 0 420.539 1.427 20 0 HDADRO CCNC(=O)c1cc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165003398 722258228 /nfs/dbraw/zinc/25/82/28/722258228.db2.gz BVKMLKQOWPKJEH-UHFFFAOYSA-N 1 0 421.933 1.565 20 0 HDADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000429044446 1073456777 /nfs/dbraw/zinc/45/67/77/1073456777.db2.gz UIZMCLQOOJSHKV-SIKLNZKXSA-N 1 0 400.523 1.589 20 0 HDADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000673643043 1073487762 /nfs/dbraw/zinc/48/77/62/1073487762.db2.gz KIDARIUIZKZBGO-LJQANCHMSA-N 1 0 422.533 1.866 20 0 HDADRO CC(=O)N[C@](C)(C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001299281581 1073493397 /nfs/dbraw/zinc/49/33/97/1073493397.db2.gz PJVTWBBNWDVTLK-XLIONFOSSA-N 1 0 409.552 1.383 20 0 HDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000625183266 1073543251 /nfs/dbraw/zinc/54/32/51/1073543251.db2.gz MEHZOFPVPPKVMD-LSDHHAIUSA-N 1 0 401.554 1.128 20 0 HDADRO CNC(=O)COc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000625180615 1073547360 /nfs/dbraw/zinc/54/73/60/1073547360.db2.gz ARYCARZQMDOHEA-KRWDZBQOSA-N 1 0 405.495 1.147 20 0 HDADRO O=C(CCNS(=O)(=O)c1ccccc1F)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000625189615 1073555553 /nfs/dbraw/zinc/55/55/53/1073555553.db2.gz NEZJKYYNWPYGCO-MRXNPFEDSA-N 1 0 413.515 1.207 20 0 HDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001004709128 1073559916 /nfs/dbraw/zinc/55/99/16/1073559916.db2.gz LKFGSBDQQPHOIG-RAXGJRACSA-N 1 0 419.485 1.552 20 0 HDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000625185612 1073564066 /nfs/dbraw/zinc/56/40/66/1073564066.db2.gz SPVGADLYAZPLGR-CYBMUJFWSA-N 1 0 421.972 1.393 20 0 HDADRO O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429107270 1073592757 /nfs/dbraw/zinc/59/27/57/1073592757.db2.gz AAYXKRICHMSWBK-KRWDZBQOSA-N 1 0 402.495 1.345 20 0 HDADRO C[C@@H]1CN(c2ccc(NC(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cn2)C[C@H](C)O1 ZINC000429108061 1073595374 /nfs/dbraw/zinc/59/53/74/1073595374.db2.gz SXJFQTOCSVYJHR-FGTMMUONSA-N 1 0 403.527 1.881 20 0 HDADRO CN1C(=O)C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000509119419 1073597154 /nfs/dbraw/zinc/59/71/54/1073597154.db2.gz CHMQWGPIKNHNKE-JZXOWHBKSA-N 1 0 421.929 1.251 20 0 HDADRO CC(C)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1nncn1C ZINC000509122356 1073597524 /nfs/dbraw/zinc/59/75/24/1073597524.db2.gz JOQYIGWDLKFKNZ-ZWKOTPCHSA-N 1 0 415.542 1.101 20 0 HDADRO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766015923 1073599406 /nfs/dbraw/zinc/59/94/06/1073599406.db2.gz WIYILTMYRNQEIM-WMLDXEAASA-N 1 0 420.553 1.258 20 0 HDADRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000673660618 1073615546 /nfs/dbraw/zinc/61/55/46/1073615546.db2.gz ASICIXAFSVHVQK-DLBZAZTESA-N 1 0 401.511 1.281 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673667418 1073619605 /nfs/dbraw/zinc/61/96/05/1073619605.db2.gz XEGZLNMKRCTFDC-LPHOPBHVSA-N 1 0 411.506 1.137 20 0 HDADRO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000673666772 1073620308 /nfs/dbraw/zinc/62/03/08/1073620308.db2.gz IIXRKOGBNIISPB-INIZCTEOSA-N 1 0 410.540 1.483 20 0 HDADRO C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)c2)CC1 ZINC000673669134 1073622306 /nfs/dbraw/zinc/62/23/06/1073622306.db2.gz VMINFQHSLXHJFN-HXUWFJFHSA-N 1 0 421.545 1.542 20 0 HDADRO C[C@H](NC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)C1CC[NH+](C)CC1 ZINC000673671473 1073626117 /nfs/dbraw/zinc/62/61/17/1073626117.db2.gz ZGIRFNBMZHINBX-HNAYVOBHSA-N 1 0 413.522 1.383 20 0 HDADRO CN(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1c(F)cccc1Cl ZINC000673673090 1073627997 /nfs/dbraw/zinc/62/79/97/1073627997.db2.gz QIQPKGZMMQINPO-HNAYVOBHSA-N 1 0 412.937 1.605 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673673577 1073628766 /nfs/dbraw/zinc/62/87/66/1073628766.db2.gz XFSQZKQFBSIPIB-APWZRJJASA-N 1 0 413.522 1.527 20 0 HDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000673692873 1073636911 /nfs/dbraw/zinc/63/69/11/1073636911.db2.gz QMHHBSZCFGGEGV-MRXNPFEDSA-N 1 0 411.524 1.104 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)C1 ZINC000673682372 1073638131 /nfs/dbraw/zinc/63/81/31/1073638131.db2.gz YTLXQTCTZAWJJX-UYAOXDASSA-N 1 0 423.517 1.910 20 0 HDADRO Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cc1S(N)(=O)=O ZINC000673683080 1073638942 /nfs/dbraw/zinc/63/89/42/1073638942.db2.gz VPRKXITUEPDTHI-UHFFFAOYSA-N 1 0 408.568 1.323 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1cnn(C)c1 ZINC000673684611 1073639620 /nfs/dbraw/zinc/63/96/20/1073639620.db2.gz BEILJMOPHFZHAS-FXAWDEMLSA-N 1 0 410.522 1.242 20 0 HDADRO 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ZINC000673713580 1073652818 /nfs/dbraw/zinc/65/28/18/1073652818.db2.gz DZQPQDDOUPSJIP-APWZRJJASA-N 1 0 416.547 1.867 20 0 HDADRO C[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000673713172 1073652847 /nfs/dbraw/zinc/65/28/47/1073652847.db2.gz JYDWAOUBULSNRD-UYAOXDASSA-N 1 0 405.506 1.741 20 0 HDADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000429115476 1073667917 /nfs/dbraw/zinc/66/79/17/1073667917.db2.gz OMQUPQDKWVXELX-UHFFFAOYSA-N 1 0 417.554 1.888 20 0 HDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000429117892 1073672327 /nfs/dbraw/zinc/67/23/27/1073672327.db2.gz WABYNNNOZMSZOH-MRXNPFEDSA-N 1 0 405.543 1.792 20 0 HDADRO O=C(C[NH+](C1CCC1)C1CCC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000429119196 1073674353 /nfs/dbraw/zinc/67/43/53/1073674353.db2.gz ZMGWMQIXHMQSHM-UHFFFAOYSA-N 1 0 421.563 1.731 20 0 HDADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2CC1 ZINC000946689583 1073687501 /nfs/dbraw/zinc/68/75/01/1073687501.db2.gz GBBKTZZFFGYTNN-OSFNYYGPSA-N 1 0 401.551 1.593 20 0 HDADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+](CCCO)C2CC2)CC1 ZINC000673754681 1073688864 /nfs/dbraw/zinc/68/88/64/1073688864.db2.gz CSOAANUQSSGFNB-UHFFFAOYSA-N 1 0 402.539 1.233 20 0 HDADRO COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000429123203 1073692449 /nfs/dbraw/zinc/69/24/49/1073692449.db2.gz OYYYFIOFEJIVQB-GOSISDBHSA-N 1 0 409.552 1.877 20 0 HDADRO COC(=O)[C@H]1CN(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H](C)O1 ZINC000509137693 1073696658 /nfs/dbraw/zinc/69/66/58/1073696658.db2.gz LJTPBMFRDUXLPA-ATZDWAIDSA-N 1 0 405.495 1.804 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000673757832 1073696758 /nfs/dbraw/zinc/69/67/58/1073696758.db2.gz HERFFHITTCVVGB-OAHLLOKOSA-N 1 0 407.522 1.989 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000673758734 1073698215 /nfs/dbraw/zinc/69/82/15/1073698215.db2.gz SIEJWRLHOIGARG-KRWDZBQOSA-N 1 0 416.547 1.869 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1 ZINC000673769395 1073713086 /nfs/dbraw/zinc/71/30/86/1073713086.db2.gz HYVLSBPOLHRFKE-QGZVFWFLSA-N 1 0 418.604 1.381 20 0 HDADRO Cc1cccn2cc(CCNC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)nc12 ZINC000673770393 1073713717 /nfs/dbraw/zinc/71/37/17/1073713717.db2.gz RMHXJZXKYIBIHJ-UHFFFAOYSA-N 1 0 407.522 1.831 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000673789720 1073735357 /nfs/dbraw/zinc/73/53/57/1073735357.db2.gz YVZVLOICFNJDCX-SFHVURJKSA-N 1 0 416.909 1.986 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000429134470 1073738417 /nfs/dbraw/zinc/73/84/17/1073738417.db2.gz KFKJTJCDBGOXSW-IRXDYDNUSA-N 1 0 411.572 1.123 20 0 HDADRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)[N@H+](C)Cc1ccccc1 ZINC000673788213 1073742571 /nfs/dbraw/zinc/74/25/71/1073742571.db2.gz BSJPQXPKWWSLAG-AWEZNQCLSA-N 1 0 400.454 1.890 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccc(Cl)cc1 ZINC000673789488 1073743744 /nfs/dbraw/zinc/74/37/44/1073743744.db2.gz WAGOLAQYWAEJND-MRXNPFEDSA-N 1 0 406.845 1.936 20 0 HDADRO CCS(=O)(=O)N1CC(CNC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000429140442 1073753544 /nfs/dbraw/zinc/75/35/44/1073753544.db2.gz XZBXSYGYIBHDSN-UHFFFAOYSA-N 1 0 408.568 1.479 20 0 HDADRO Cc1cc(NC(=O)CN2CCC[C@@H]([NH+]3CCCC3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000226804367 1073790359 /nfs/dbraw/zinc/79/03/59/1073790359.db2.gz HAMGNVUOZKCXQS-IAGOWNOFSA-N 1 0 409.556 1.050 20 0 HDADRO Cc1nc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000673834445 1073807747 /nfs/dbraw/zinc/80/77/47/1073807747.db2.gz WHBZFEQGMJAQPO-UHFFFAOYSA-N 1 0 414.436 1.905 20 0 HDADRO C[N@H+](CCN1CCN(C(=O)[C@H]2CCCN2c2ncccn2)CC1)Cc1ccccc1 ZINC000673835979 1073811471 /nfs/dbraw/zinc/81/14/71/1073811471.db2.gz OCZQZJJFADBUJH-OAQYLSRUSA-N 1 0 408.550 1.722 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3CCCN3c3ncccn3)c2)C1 ZINC000673837997 1073812627 /nfs/dbraw/zinc/81/26/27/1073812627.db2.gz QNLWEMLSRKMMAG-VQTJNVASSA-N 1 0 422.533 1.459 20 0 HDADRO CN(CCCNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)S(C)(=O)=O ZINC000673849021 1073815633 /nfs/dbraw/zinc/81/56/33/1073815633.db2.gz FQNUNPXXIXTXNM-OAQYLSRUSA-N 1 0 422.595 1.966 20 0 HDADRO CN(CCCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)S(C)(=O)=O ZINC000673849020 1073815864 /nfs/dbraw/zinc/81/58/64/1073815864.db2.gz FQNUNPXXIXTXNM-NRFANRHFSA-N 1 0 422.595 1.966 20 0 HDADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000543492398 1073821870 /nfs/dbraw/zinc/82/18/70/1073821870.db2.gz IVCXHBJNZAEAOV-CZUORRHYSA-N 1 0 418.494 1.908 20 0 HDADRO CN1CCN(C(=[NH2+])Nc2ccc3c(c2)[C@H](C(=O)OC(C)(C)C)CCNC3=O)CC1 ZINC001168746391 1073824286 /nfs/dbraw/zinc/82/42/86/1073824286.db2.gz NFCMUMQPHIRBOU-MRXNPFEDSA-N 1 0 401.511 1.839 20 0 HDADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)c1 ZINC000543494366 1073824595 /nfs/dbraw/zinc/82/45/95/1073824595.db2.gz GAXXFKZHWAYNQE-MOPGFXCFSA-N 1 0 419.522 1.628 20 0 HDADRO CN1CCN(C(=O)c2ccccc2NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000673858155 1073825856 /nfs/dbraw/zinc/82/58/56/1073825856.db2.gz MORSSHCCNWCHDX-UHFFFAOYSA-N 1 0 415.538 1.403 20 0 HDADRO COc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1NS(C)(=O)=O ZINC000673860830 1073829078 /nfs/dbraw/zinc/82/90/78/1073829078.db2.gz YNGIOCUGQVFPFQ-CVEARBPZSA-N 1 0 412.512 1.130 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)cn1 ZINC000673869770 1073833765 /nfs/dbraw/zinc/83/37/65/1073833765.db2.gz UOUNUGNCXCAXPA-LJQANCHMSA-N 1 0 400.527 1.510 20 0 HDADRO Cc1ccc([C@H](CN2CCOCC2)NC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000673868951 1073834258 /nfs/dbraw/zinc/83/42/58/1073834258.db2.gz HMZRSTCNYZWKAH-FQEVSTJZSA-N 1 0 400.527 1.948 20 0 HDADRO C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673870534 1073835199 /nfs/dbraw/zinc/83/51/99/1073835199.db2.gz AOCOCHSKDJSRSS-CQSZACIVSA-N 1 0 408.528 1.578 20 0 HDADRO COc1cc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1OCC(=O)N(C)C ZINC000673871563 1073836577 /nfs/dbraw/zinc/83/65/77/1073836577.db2.gz MUVXUMWWNMHXID-UHFFFAOYSA-N 1 0 418.498 1.242 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCc2ccccc2OCCN2CCOCC2)cn1 ZINC000673867545 1073845138 /nfs/dbraw/zinc/84/51/38/1073845138.db2.gz OUFVNMKVSCJATB-UHFFFAOYSA-N 1 0 416.526 1.477 20 0 HDADRO CCN1CCN(C(=O)CC2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)CC1 ZINC000673868768 1073845554 /nfs/dbraw/zinc/84/55/54/1073845554.db2.gz DJOLLJHDSHFMMZ-UHFFFAOYSA-N 1 0 419.574 1.243 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)cn1 ZINC000673867223 1073845591 /nfs/dbraw/zinc/84/55/91/1073845591.db2.gz KPJUMGMSPJTBJW-UHFFFAOYSA-N 1 0 414.919 1.198 20 0 HDADRO NC(=O)C[C@@H]([NH2+]CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C1CCCCC1 ZINC000543497883 1073848673 /nfs/dbraw/zinc/84/86/73/1073848673.db2.gz ZGYHKDBTXVJZTM-HXUWFJFHSA-N 1 0 414.550 1.821 20 0 HDADRO COc1cc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc(Cl)c1OCC(N)=O ZINC000673885489 1073856781 /nfs/dbraw/zinc/85/67/81/1073856781.db2.gz GQDUURIFKNNJNH-HNNXBMFYSA-N 1 0 411.886 1.082 20 0 HDADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)N(C)C[C@H](O)CO)ccc1Cl ZINC000466550500 1073861073 /nfs/dbraw/zinc/86/10/73/1073861073.db2.gz FAMSAYFAGLESBZ-AWEZNQCLSA-N 1 0 400.907 1.229 20 0 HDADRO CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000673894112 1073865965 /nfs/dbraw/zinc/86/59/65/1073865965.db2.gz BLMSMLSZGQQRRL-UHFFFAOYSA-N 1 0 420.554 1.261 20 0 HDADRO CC(C)(O)C[NH+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000429162417 1073881651 /nfs/dbraw/zinc/88/16/51/1073881651.db2.gz LDZULAYUPDJZIB-UHFFFAOYSA-N 1 0 403.932 1.342 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CCC[C@H]([NH2+]C(C)C)C3)C2=O)c1 ZINC000673914060 1073890426 /nfs/dbraw/zinc/89/04/26/1073890426.db2.gz PBFQFSXGMNYRKY-KXBFYZLASA-N 1 0 404.511 1.981 20 0 HDADRO C[NH+]1CCN(c2ccc(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(N)=O)cn2)CC1 ZINC000014520839 1073901812 /nfs/dbraw/zinc/90/18/12/1073901812.db2.gz BPIFCHSIOGSTIJ-IBGZPJMESA-N 1 0 421.505 1.533 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1=O ZINC000673930100 1073902963 /nfs/dbraw/zinc/90/29/63/1073902963.db2.gz FLLLWMXNXXHPAQ-APPDUMDISA-N 1 0 410.268 1.988 20 0 HDADRO Cc1c(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000673935791 1073908513 /nfs/dbraw/zinc/90/85/13/1073908513.db2.gz STWPMLPTSISQIT-UNMCSNQZSA-N 1 0 403.486 1.952 20 0 HDADRO CC(C)([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000543506609 1073910077 /nfs/dbraw/zinc/91/00/77/1073910077.db2.gz ZIFSQVPAVLKJDP-HUUCEWRRSA-N 1 0 400.566 1.768 20 0 HDADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c(C)c(C)n[nH]c2=O)C3)CC[N@@H+]1C ZINC001004869336 1073917218 /nfs/dbraw/zinc/91/72/18/1073917218.db2.gz GPQMBXRWYBIEEB-JJTUDDRGSA-N 1 0 401.511 1.391 20 0 HDADRO Cc1c(C(=O)NC[C@@H](O)COCC(C)C)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000673944124 1073918428 /nfs/dbraw/zinc/91/84/28/1073918428.db2.gz FDYVBNYUXKRZQK-QGZVFWFLSA-N 1 0 401.511 1.327 20 0 HDADRO COc1ccc(CCN2C[C@@H](C(=O)NC3(C[NH+](C)C)CCC3)CC2=O)cc1OC ZINC000466562969 1073931570 /nfs/dbraw/zinc/93/15/70/1073931570.db2.gz NRMZYQDSNYCSGR-KRWDZBQOSA-N 1 0 403.523 1.695 20 0 HDADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000015674819 1073934619 /nfs/dbraw/zinc/93/46/19/1073934619.db2.gz GYCVQJXMZSERRN-UHFFFAOYSA-N 1 0 424.567 1.137 20 0 HDADRO C[C@@H]1C[NH+](CC2CCN(C(=O)NC3CCN(c4cccnn4)CC3)CC2)C[C@@H](C)O1 ZINC000429175638 1073949514 /nfs/dbraw/zinc/94/95/14/1073949514.db2.gz KDMYVETYDAABNX-QZTJIDSGSA-N 1 0 416.570 1.976 20 0 HDADRO CC[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1OCC(=O)NC ZINC000673973890 1073960718 /nfs/dbraw/zinc/96/07/18/1073960718.db2.gz DRLDKDUALHGRMO-UZLBHIALSA-N 1 0 408.568 1.999 20 0 HDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000429184369 1074000716 /nfs/dbraw/zinc/00/07/16/1074000716.db2.gz BFZQFASZJWJEBF-IBGZPJMESA-N 1 0 401.559 1.257 20 0 HDADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000484452958 1074011520 /nfs/dbraw/zinc/01/15/20/1074011520.db2.gz NXQUIFGALMYAOP-DBXWQHBBSA-N 1 0 407.530 1.373 20 0 HDADRO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccccc3CN3CCNC3=O)C2)CC1 ZINC000543527764 1074016214 /nfs/dbraw/zinc/01/62/14/1074016214.db2.gz RNFYJMUQUXTTJT-KRWDZBQOSA-N 1 0 413.522 1.341 20 0 HDADRO COc1cccc(-c2noc(SCC(=O)NCCN3CCC([NH+](C)C)CC3)n2)c1 ZINC000543529403 1074016606 /nfs/dbraw/zinc/01/66/06/1074016606.db2.gz LUTQJZDTICNBCL-UHFFFAOYSA-N 1 0 419.551 1.980 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[C@@H](NC(=O)NC)C3)cc2)CC1 ZINC000466584920 1074017009 /nfs/dbraw/zinc/01/70/09/1074017009.db2.gz LTDJBTZCZMECLR-LJQANCHMSA-N 1 0 402.543 1.037 20 0 HDADRO CS(=O)(=O)N1CCC[C@H]1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000673997518 1074024757 /nfs/dbraw/zinc/02/47/57/1074024757.db2.gz UQJQJLLFEBBHQS-FQEVSTJZSA-N 1 0 423.579 1.598 20 0 HDADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnn(CCOC)c2)C3)CC[N@@H+]1C ZINC001005062802 1074028612 /nfs/dbraw/zinc/02/86/12/1074028612.db2.gz YHYKMWXQSLHHQZ-ZRSRNVLSSA-N 1 0 403.527 1.122 20 0 HDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CC[C@H](NC(=O)NC)C2)CC1 ZINC000466584093 1074030814 /nfs/dbraw/zinc/03/08/14/1074030814.db2.gz JMQFCZIQSDDOQQ-IBGZPJMESA-N 1 0 402.543 1.037 20 0 HDADRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466584161 1074031389 /nfs/dbraw/zinc/03/13/89/1074031389.db2.gz HHCBJDGDLXNCHJ-HOTGVXAUSA-N 1 0 411.428 1.699 20 0 HDADRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)NC1CCN(c2cccnn2)CC1 ZINC000429191441 1074034161 /nfs/dbraw/zinc/03/41/61/1074034161.db2.gz GYZYRBAGVMKSFN-WOJBJXKFSA-N 1 0 410.522 1.380 20 0 HDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000466589067 1074040585 /nfs/dbraw/zinc/04/05/85/1074040585.db2.gz VQFDHECIXUYIKD-OXJNMPFZSA-N 1 0 420.579 1.763 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000509195246 1074047048 /nfs/dbraw/zinc/04/70/48/1074047048.db2.gz NAMGUYYPLMVJLX-UHFFFAOYSA-N 1 0 405.499 1.672 20 0 HDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000466597675 1074060169 /nfs/dbraw/zinc/06/01/69/1074060169.db2.gz OYSNDKGBZVAZDG-PLACYPQZSA-N 1 0 414.550 1.896 20 0 HDADRO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000466598885 1074060584 /nfs/dbraw/zinc/06/05/84/1074060584.db2.gz SHBWAEPWQXLDGW-NCYKPQTJSA-N 1 0 414.550 1.535 20 0 HDADRO CNS(=O)(=O)N1CCC(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1 ZINC000509199551 1074063657 /nfs/dbraw/zinc/06/36/57/1074063657.db2.gz YEWIJYOASZCKRM-UHFFFAOYSA-N 1 0 422.595 1.330 20 0 HDADRO Cc1nn(C)c(C)c1CNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000466601585 1074065874 /nfs/dbraw/zinc/06/58/74/1074065874.db2.gz NJTJLEDKUIFROD-UHFFFAOYSA-N 1 0 406.575 1.663 20 0 HDADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000543555019 1074083789 /nfs/dbraw/zinc/08/37/89/1074083789.db2.gz HYRQKVCFRKNSMG-CQSZACIVSA-N 1 0 404.511 1.253 20 0 HDADRO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1COc2ccccc21 ZINC000543557068 1074094555 /nfs/dbraw/zinc/09/45/55/1074094555.db2.gz IXNHKIFTXHPXMN-AEFFLSMTSA-N 1 0 402.539 1.200 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C(=O)N1c1cnn(C)c1 ZINC000674033477 1074101470 /nfs/dbraw/zinc/10/14/70/1074101470.db2.gz KVIMROYRANWWSH-RDTXWAMCSA-N 1 0 402.474 1.484 20 0 HDADRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000674039641 1074111920 /nfs/dbraw/zinc/11/19/20/1074111920.db2.gz RTEDLSZBXCSLCE-UHFFFAOYSA-N 1 0 415.538 1.745 20 0 HDADRO Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCC(OCCC[NH+](C)C)CC3)cc12 ZINC000674042476 1074119627 /nfs/dbraw/zinc/11/96/27/1074119627.db2.gz VOUBTNUAFOGAIC-UHFFFAOYSA-N 1 0 402.499 1.175 20 0 HDADRO O=C(NCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1cnccn1 ZINC000509209358 1074132082 /nfs/dbraw/zinc/13/20/82/1074132082.db2.gz GROCYKHCHMRFLU-INIZCTEOSA-N 1 0 403.433 1.480 20 0 HDADRO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)[C@@H](c1ccccc1)N1CCOCC1 ZINC000674049339 1074142605 /nfs/dbraw/zinc/14/26/05/1074142605.db2.gz WCDXXIHORRXHOY-JLEJFLCFSA-N 1 0 400.523 1.759 20 0 HDADRO C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229623946 1074147031 /nfs/dbraw/zinc/14/70/31/1074147031.db2.gz NKKVSOUQOBYANO-LSDHHAIUSA-N 1 0 424.542 1.590 20 0 HDADRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766059565 1074165606 /nfs/dbraw/zinc/16/56/06/1074165606.db2.gz IAWFJRNTMPBJMM-XJKSGUPXSA-N 1 0 406.570 1.860 20 0 HDADRO CC[N@@H+]1CCC[C@H](CNC(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)C1 ZINC000543581486 1074168547 /nfs/dbraw/zinc/16/85/47/1074168547.db2.gz KUROLNUDKPKILQ-MRXNPFEDSA-N 1 0 412.556 1.731 20 0 HDADRO 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ZINC000674199399 1074230860 /nfs/dbraw/zinc/23/08/60/1074230860.db2.gz FDUKXKJWMJOUNA-CYBMUJFWSA-N 1 0 403.458 1.944 20 0 HDADRO CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000674200880 1074231268 /nfs/dbraw/zinc/23/12/68/1074231268.db2.gz UBMMBIKVSYGLLU-UHFFFAOYSA-N 1 0 416.522 1.569 20 0 HDADRO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1=O ZINC000674222921 1074232075 /nfs/dbraw/zinc/23/20/75/1074232075.db2.gz AGSHPHOIOSNXOT-UWWQBHOKSA-N 1 0 402.495 1.081 20 0 HDADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000140845203 1074242221 /nfs/dbraw/zinc/24/22/21/1074242221.db2.gz OMXODJTWVVENBA-MRXNPFEDSA-N 1 0 408.543 1.304 20 0 HDADRO CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCC1([NH+](C)C)CC1 ZINC001626098661 1074246731 /nfs/dbraw/zinc/24/67/31/1074246731.db2.gz PJFXFZQJKTXYEN-UHFFFAOYSA-N 1 0 410.540 1.486 20 0 HDADRO CSc1ccncc1NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000674267369 1074248931 /nfs/dbraw/zinc/24/89/31/1074248931.db2.gz XORIVGLVOWYEJW-UHFFFAOYSA-N 1 0 413.547 1.676 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)C1 ZINC000674299634 1074263675 /nfs/dbraw/zinc/26/36/75/1074263675.db2.gz RORBQLQILHIWPI-OALUTQOASA-N 1 0 419.957 1.867 20 0 HDADRO COC1CC[NH+](CCNC(=O)CCCNS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000674310905 1074268559 /nfs/dbraw/zinc/26/85/59/1074268559.db2.gz AEGRTNFXKZSPHJ-UHFFFAOYSA-N 1 0 411.568 1.589 20 0 HDADRO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000674321498 1074271901 /nfs/dbraw/zinc/27/19/01/1074271901.db2.gz UCKSXONGNIRLAU-UHFFFAOYSA-N 1 0 402.495 1.830 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1 ZINC000674321409 1074272343 /nfs/dbraw/zinc/27/23/43/1074272343.db2.gz WIXSSZZOUYDCEM-UHFFFAOYSA-N 1 0 422.913 1.398 20 0 HDADRO COC1CC[NH+](CCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000674323544 1074273249 /nfs/dbraw/zinc/27/32/49/1074273249.db2.gz 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COC1CC[NH+](CCNC(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 ZINC000674328906 1074278586 /nfs/dbraw/zinc/27/85/86/1074278586.db2.gz SZXNDPNCEZOTLS-NRFANRHFSA-N 1 0 404.555 1.778 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)CC1 ZINC000674320192 1074280456 /nfs/dbraw/zinc/28/04/56/1074280456.db2.gz FKXSBPPKXKIQIF-UHFFFAOYSA-N 1 0 404.511 1.380 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000674320055 1074280815 /nfs/dbraw/zinc/28/08/15/1074280815.db2.gz BOERTZABDQEXGV-UHFFFAOYSA-N 1 0 404.389 1.188 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CC1 ZINC000674320035 1074280866 /nfs/dbraw/zinc/28/08/66/1074280866.db2.gz BIJDFUWJPAIMCX-SFHVURJKSA-N 1 0 419.522 1.800 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cccnc2OCc2ccccc2)CC1 ZINC000674320147 1074280882 /nfs/dbraw/zinc/28/08/82/1074280882.db2.gz CWQFEAHSRSFXPS-UHFFFAOYSA-N 1 0 412.490 1.826 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2c(F)cc(Br)cc2F)CC1 ZINC000674320105 1074280913 /nfs/dbraw/zinc/28/09/13/1074280913.db2.gz CDORTXBRXNLICM-UHFFFAOYSA-N 1 0 420.254 1.893 20 0 HDADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCC(OC)CC2)cc1 ZINC000674320847 1074283028 /nfs/dbraw/zinc/28/30/28/1074283028.db2.gz LJFCJUNYDGEXKJ-UHFFFAOYSA-N 1 0 418.538 1.771 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000674330746 1074286173 /nfs/dbraw/zinc/28/61/73/1074286173.db2.gz NRKVOJSKQQBDIP-IBGZPJMESA-N 1 0 423.602 1.119 20 0 HDADRO C[C@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@@H](C(F)(F)F)O1 ZINC000674333152 1074286684 /nfs/dbraw/zinc/28/66/84/1074286684.db2.gz WHWGALIZRJZRHI-ZFWWWQNUSA-N 1 0 422.492 1.974 20 0 HDADRO C[C@@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@H](C(F)(F)F)O1 ZINC000674333151 1074286715 /nfs/dbraw/zinc/28/67/15/1074286715.db2.gz WHWGALIZRJZRHI-UKRRQHHQSA-N 1 0 422.492 1.974 20 0 HDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)C1 ZINC000674428390 1074317026 /nfs/dbraw/zinc/31/70/26/1074317026.db2.gz XCWJOEGEMQJWKT-DLRJPAPCSA-N 1 0 407.559 1.764 20 0 HDADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)CCN1CCCS1(=O)=O ZINC000674418096 1074318629 /nfs/dbraw/zinc/31/86/29/1074318629.db2.gz QAFQORIZRYUGOB-UHFFFAOYSA-N 1 0 409.556 1.246 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000674420944 1074322089 /nfs/dbraw/zinc/32/20/89/1074322089.db2.gz SAUYMIDHAROPBV-VGSWGCGISA-N 1 0 413.522 1.671 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1=O ZINC000674423669 1074326535 /nfs/dbraw/zinc/32/65/35/1074326535.db2.gz ADGIDEOCYTYNEX-HMFYCAOWSA-N 1 0 413.522 1.843 20 0 HDADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1ccccc1N ZINC000670472471 1074340462 /nfs/dbraw/zinc/34/04/62/1074340462.db2.gz OCIMPYDTXFBFDC-SFHVURJKSA-N 1 0 416.547 1.528 20 0 HDADRO C[C@H](CNC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)[N@H+](C)Cc1ccccc1 ZINC000674432032 1074342589 /nfs/dbraw/zinc/34/25/89/1074342589.db2.gz GEQWKDKXGNHVPG-QLVMHMETSA-N 1 0 401.511 1.527 20 0 HDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N1CCC[C@H]1COC ZINC000674480338 1074377654 /nfs/dbraw/zinc/37/76/54/1074377654.db2.gz YGHOMFNQTURZMK-KRWDZBQOSA-N 1 0 404.511 1.413 20 0 HDADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)Nc2c(C)cnn2-c2ccccc2)CC1 ZINC000485097012 1074386090 /nfs/dbraw/zinc/38/60/90/1074386090.db2.gz YFDWBDMAWQFFQU-UHFFFAOYSA-N 1 0 420.473 1.872 20 0 HDADRO COc1cc(NC(=O)CC[N@H+](C)CCN2CCCS2(=O)=O)cc(OC)c1OC ZINC000674496469 1074407420 /nfs/dbraw/zinc/40/74/20/1074407420.db2.gz XCBATZDEONXNMG-UHFFFAOYSA-N 1 0 415.512 1.008 20 0 HDADRO CC(C)(C)OCc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000674586312 1074466636 /nfs/dbraw/zinc/46/66/36/1074466636.db2.gz MWZVYVPALAFEIR-KRWDZBQOSA-N 1 0 418.538 1.644 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)c3ccc(OCC[NH+](CC)CC)cc3)CCN2C1=O ZINC000674594387 1074472236 /nfs/dbraw/zinc/47/22/36/1074472236.db2.gz KWHJSKRYMGELEU-GOSISDBHSA-N 1 0 402.495 1.516 20 0 HDADRO Cc1cc(C)cc(CCNC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000509230961 1074473291 /nfs/dbraw/zinc/47/32/91/1074473291.db2.gz CKXXPDKXNPNJKX-CBQGHPETSA-N 1 0 412.578 1.732 20 0 HDADRO Cc1cc(C)cc(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000509230983 1074473708 /nfs/dbraw/zinc/47/37/08/1074473708.db2.gz DADMLPYXMPYHDV-SFTDATJTSA-N 1 0 401.551 1.846 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)CCN2C1=O ZINC000674595207 1074474304 /nfs/dbraw/zinc/47/43/04/1074474304.db2.gz TWXGAIZCBYIGEL-AEFFLSMTSA-N 1 0 402.470 1.533 20 0 HDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)ccc1F ZINC001168752861 1074482265 /nfs/dbraw/zinc/48/22/65/1074482265.db2.gz MHUQBOYVHPOLGK-QGZVFWFLSA-N 1 0 423.485 1.872 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1=O ZINC000674614663 1074485355 /nfs/dbraw/zinc/48/53/55/1074485355.db2.gz FCXBXNOGVDDZDI-MGPUTAFESA-N 1 0 423.583 1.368 20 0 HDADRO COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)[NH+](C)C)c1 ZINC000674617137 1074486985 /nfs/dbraw/zinc/48/69/85/1074486985.db2.gz VULIYJOLCAASOF-LDBYXDLTSA-N 1 0 417.510 1.318 20 0 HDADRO CCn1nc2c(cc1=O)CN(C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CC2 ZINC000674626752 1074492826 /nfs/dbraw/zinc/49/28/26/1074492826.db2.gz XCIJRNRYNMHIMF-NRFANRHFSA-N 1 0 424.549 1.320 20 0 HDADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1nc(C2CCCCC2)no1 ZINC000674630612 1074495429 /nfs/dbraw/zinc/49/54/29/1074495429.db2.gz FJUNYWPBJKKZBY-FUHWJXTLSA-N 1 0 420.558 1.884 20 0 HDADRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1nc(C2CCCCC2)no1 ZINC000674630613 1074495597 /nfs/dbraw/zinc/49/55/97/1074495597.db2.gz FJUNYWPBJKKZBY-SJLPKXTDSA-N 1 0 420.558 1.884 20 0 HDADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000674638021 1074497724 /nfs/dbraw/zinc/49/77/24/1074497724.db2.gz BPXRTDGNDKXXMR-XMSQKQJNSA-N 1 0 415.538 1.789 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2c(F)c(F)cc(F)c2F)CC1 ZINC000674645331 1074502940 /nfs/dbraw/zinc/50/29/40/1074502940.db2.gz MVQDXNKGKBQWJI-UHFFFAOYSA-N 1 0 404.408 1.939 20 0 HDADRO CS(=O)(=O)NCc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000674684441 1074522816 /nfs/dbraw/zinc/52/28/16/1074522816.db2.gz DFFWIJKHCIHDCN-QGZVFWFLSA-N 1 0 405.520 1.971 20 0 HDADRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N(CCO)CCN1CCOCC1 ZINC000485401248 1074532965 /nfs/dbraw/zinc/53/29/65/1074532965.db2.gz FJICFOOYBDEZCJ-UHFFFAOYSA-N 1 0 404.555 1.235 20 0 HDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000674706767 1074535742 /nfs/dbraw/zinc/53/57/42/1074535742.db2.gz KLNKDUSPJHLDPX-KRWDZBQOSA-N 1 0 405.543 1.553 20 0 HDADRO CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000429238731 1074543317 /nfs/dbraw/zinc/54/33/17/1074543317.db2.gz FHXVGDLJPZMWRC-MRXNPFEDSA-N 1 0 424.567 1.949 20 0 HDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1 ZINC000674778533 1074553358 /nfs/dbraw/zinc/55/33/58/1074553358.db2.gz LBGOXOMVTWJWTP-KBXCAEBGSA-N 1 0 421.492 1.538 20 0 HDADRO O=C(Nc1cnn(-c2ncccn2)c1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000674762387 1074555514 /nfs/dbraw/zinc/55/55/14/1074555514.db2.gz LSNUPCPMDOJPMY-UHFFFAOYSA-N 1 0 411.510 1.715 20 0 HDADRO Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(OCC2CC2)c1 ZINC000674783778 1074564480 /nfs/dbraw/zinc/56/44/80/1074564480.db2.gz QEGLNKLJKQQMHA-NRFANRHFSA-N 1 0 416.566 1.990 20 0 HDADRO O=S1(=O)CCC(O)(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000674882369 1074601067 /nfs/dbraw/zinc/60/10/67/1074601067.db2.gz JVLQTFRHTHZEHK-CQSZACIVSA-N 1 0 403.342 1.557 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)CC2)C1 ZINC000674893031 1074610132 /nfs/dbraw/zinc/61/01/32/1074610132.db2.gz TZBCWUREYDXSSN-YJBOKZPZSA-N 1 0 421.492 1.492 20 0 HDADRO O=C(C[NH+]1CCC(OCCCO)CC1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000674914580 1074612454 /nfs/dbraw/zinc/61/24/54/1074612454.db2.gz VDXNGJYXMPLIBF-UHFFFAOYSA-N 1 0 409.958 1.848 20 0 HDADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC(OCCCO)CC2)CC1 ZINC000674914142 1074612480 /nfs/dbraw/zinc/61/24/80/1074612480.db2.gz LRDHXWYFWLRSET-UHFFFAOYSA-N 1 0 403.567 1.893 20 0 HDADRO O=C(C[NH+]1CCC(OCCCO)CC1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000674912989 1074619908 /nfs/dbraw/zinc/61/99/08/1074619908.db2.gz SEFCBXHRRLWWSY-UHFFFAOYSA-N 1 0 403.523 1.271 20 0 HDADRO Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000674981016 1074657573 /nfs/dbraw/zinc/65/75/73/1074657573.db2.gz WRONMHNXRVWMBX-PXNSSMCTSA-N 1 0 412.538 1.803 20 0 HDADRO CC[NH+](CC)CCOCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C ZINC000543610389 1074658567 /nfs/dbraw/zinc/65/85/67/1074658567.db2.gz DFMPIZCPXGGGMV-UHFFFAOYSA-N 1 0 414.572 1.288 20 0 HDADRO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000429310280 1074671777 /nfs/dbraw/zinc/67/17/77/1074671777.db2.gz PAYBJCSHVCJSLO-SFTDATJTSA-N 1 0 416.566 1.612 20 0 HDADRO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000429310276 1074671913 /nfs/dbraw/zinc/67/19/13/1074671913.db2.gz PAYBJCSHVCJSLO-NHCUHLMSSA-N 1 0 416.566 1.612 20 0 HDADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000674995375 1074671932 /nfs/dbraw/zinc/67/19/32/1074671932.db2.gz ABYGSGSGTUXWHN-VQTJNVASSA-N 1 0 419.522 1.752 20 0 HDADRO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429311449 1074677411 /nfs/dbraw/zinc/67/74/11/1074677411.db2.gz VKOORUMXTYLUPD-GFCCVEGCSA-N 1 0 417.487 1.733 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000675002763 1074682783 /nfs/dbraw/zinc/68/27/83/1074682783.db2.gz OEVILQMEIUUJPY-RTBURBONSA-N 1 0 405.495 1.362 20 0 HDADRO CCC1(CC)[C@H]([NH2+]Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)[C@H](C)[C@@H]1OC ZINC000429312055 1074685181 /nfs/dbraw/zinc/68/51/81/1074685181.db2.gz ATMKXTKQCRXWNU-VHSSKADRSA-N 1 0 407.540 1.995 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000477007471 1074685810 /nfs/dbraw/zinc/68/58/10/1074685810.db2.gz NVTHRHSUCWCRSR-MJGOQNOKSA-N 1 0 402.539 1.644 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000477007468 1074685831 /nfs/dbraw/zinc/68/58/31/1074685831.db2.gz NVTHRHSUCWCRSR-HKUYNNGSSA-N 1 0 402.539 1.644 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000477009881 1074692283 /nfs/dbraw/zinc/69/22/83/1074692283.db2.gz UBDFIEAIMVVTQD-LLVKDONJSA-N 1 0 401.410 1.479 20 0 HDADRO O=C(Cn1cnc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)n1)N1CCCCCC1 ZINC000549034796 1074695763 /nfs/dbraw/zinc/69/57/63/1074695763.db2.gz NYUIJZVDDIPFIS-UHFFFAOYSA-N 1 0 410.522 2.529 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)c2ccc(N3CCOCC3)nc2)CC1=O ZINC000543611816 1074697286 /nfs/dbraw/zinc/69/72/86/1074697286.db2.gz RZMNAHOIQOFGGF-MJGOQNOKSA-N 1 0 415.538 1.214 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CCN2C1=O ZINC000675084169 1074700734 /nfs/dbraw/zinc/70/07/34/1074700734.db2.gz MRFYEBJZQLQEKA-LSDHHAIUSA-N 1 0 405.524 1.563 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000477026109 1074703250 /nfs/dbraw/zinc/70/32/50/1074703250.db2.gz GBMWHUOJEKXETI-WMLDXEAASA-N 1 0 408.930 1.750 20 0 HDADRO O=C(NC1CCCC1)c1ccc(NCCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000468634939 1074706156 /nfs/dbraw/zinc/70/61/56/1074706156.db2.gz KAGOMBNTZNCSAA-UHFFFAOYSA-N 1 0 408.550 2.379 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)CCN2C1=O ZINC000675095826 1074707360 /nfs/dbraw/zinc/70/73/60/1074707360.db2.gz AUFAZRYRTRTFRQ-QGZVFWFLSA-N 1 0 419.551 1.638 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000675088766 1074711801 /nfs/dbraw/zinc/71/18/01/1074711801.db2.gz NGYHHHCSQAEARD-LJQANCHMSA-N 1 0 402.539 1.478 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)nn1[C@H](C)C1CC1 ZINC000544158718 1074714979 /nfs/dbraw/zinc/71/49/79/1074714979.db2.gz KFDRBRNDGQQXPB-MRXNPFEDSA-N 1 0 403.527 1.672 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccccc3N3CC[NH+](CC)CC3)CCN2C1=O ZINC000675104730 1074720638 /nfs/dbraw/zinc/72/06/38/1074720638.db2.gz JUJNYRWQZRNSMH-SFHVURJKSA-N 1 0 414.510 1.329 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CCN2C1=O ZINC000675108371 1074723481 /nfs/dbraw/zinc/72/34/81/1074723481.db2.gz TWFYYOOKHWQLBN-WDSOQIARSA-N 1 0 413.522 1.575 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CCN2C1=O ZINC000675108368 1074723497 /nfs/dbraw/zinc/72/34/97/1074723497.db2.gz TWFYYOOKHWQLBN-NEWSRXKRSA-N 1 0 413.522 1.575 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)nn1-c1ccc(F)cc1F ZINC000577419957 1074727730 /nfs/dbraw/zinc/72/77/30/1074727730.db2.gz NUOIJFXLEZOYPF-HNNXBMFYSA-N 1 0 401.417 1.870 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000477031255 1074729823 /nfs/dbraw/zinc/72/98/23/1074729823.db2.gz XGLYUEXEYMQUSW-CQSZACIVSA-N 1 0 406.918 1.692 20 0 HDADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H](CO)CC2)c1 ZINC000675127825 1074733148 /nfs/dbraw/zinc/73/31/48/1074733148.db2.gz FHNDJJWBZQATCI-MAEOIBBWSA-N 1 0 418.538 1.364 20 0 HDADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1=O ZINC000675129818 1074735580 /nfs/dbraw/zinc/73/55/80/1074735580.db2.gz UKNLWRRMGYZHDU-SJORKVTESA-N 1 0 414.506 1.004 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)nn1[C@H](C)C1CC1 ZINC000541402820 1074737228 /nfs/dbraw/zinc/73/72/28/1074737228.db2.gz YJVUTFCVWACKMD-MRXNPFEDSA-N 1 0 416.570 1.776 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(OCC[NH+](CC)CC)cc3)CCN2C1=O ZINC000675140084 1074739542 /nfs/dbraw/zinc/73/95/42/1074739542.db2.gz FYFDYULFVQYFQC-GOSISDBHSA-N 1 0 417.510 1.907 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000477035845 1074741353 /nfs/dbraw/zinc/74/13/53/1074741353.db2.gz SJZSXGVYOTUAEA-CQSZACIVSA-N 1 0 400.976 1.892 20 0 HDADRO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000675142985 1074741775 /nfs/dbraw/zinc/74/17/75/1074741775.db2.gz WYPOAYIHJDNBOH-LJQANCHMSA-N 1 0 402.539 1.402 20 0 HDADRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CC2 ZINC000675154597 1074747287 /nfs/dbraw/zinc/74/72/87/1074747287.db2.gz IVOVAQYOCWUXKX-KBRIMQKVSA-N 1 0 412.456 1.966 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000675158117 1074747685 /nfs/dbraw/zinc/74/76/85/1074747685.db2.gz RGLSISJSHZHQDW-QGZVFWFLSA-N 1 0 403.527 1.953 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000675159056 1074747746 /nfs/dbraw/zinc/74/77/46/1074747746.db2.gz BVAKOBCBKWKBJB-HNNXBMFYSA-N 1 0 411.572 1.999 20 0 HDADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC([NH2+]C(C)C)CC3)C2=O)cc1 ZINC000675189490 1074752478 /nfs/dbraw/zinc/75/24/78/1074752478.db2.gz IQFCGNPSARMTIU-IBGZPJMESA-N 1 0 400.523 1.201 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000675193328 1074753237 /nfs/dbraw/zinc/75/32/37/1074753237.db2.gz BSSYCLUIDYANKJ-IAGOWNOFSA-N 1 0 408.547 1.869 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000675196644 1074755327 /nfs/dbraw/zinc/75/53/27/1074755327.db2.gz GVDMPISQIUZMEL-SFHVURJKSA-N 1 0 417.558 1.019 20 0 HDADRO CC1=CC[N@H+](CCNC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC000550839026 1074763548 /nfs/dbraw/zinc/76/35/48/1074763548.db2.gz RXSJBKMJPKSFOU-UHFFFAOYSA-N 1 0 413.444 1.787 20 0 HDADRO CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)C2=O ZINC000490021516 1074765521 /nfs/dbraw/zinc/76/55/21/1074765521.db2.gz CRPAKOYLBNSFJN-UHFFFAOYSA-N 1 0 402.499 1.589 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000477070367 1074779686 /nfs/dbraw/zinc/77/96/86/1074779686.db2.gz SPGIAUOCDPFICX-INIZCTEOSA-N 1 0 411.506 1.797 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000477059531 1074780613 /nfs/dbraw/zinc/78/06/13/1074780613.db2.gz CFSNJHXKXGVOKC-KRWDZBQOSA-N 1 0 402.539 1.388 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000477079622 1074782057 /nfs/dbraw/zinc/78/20/57/1074782057.db2.gz BBWIUDFCGPWCTR-ZLGUVYLKSA-N 1 0 416.566 1.936 20 0 HDADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000675290927 1074782163 /nfs/dbraw/zinc/78/21/63/1074782163.db2.gz FWORZXXYAVHROR-RTBURBONSA-N 1 0 418.513 1.376 20 0 HDADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444582545 1074786990 /nfs/dbraw/zinc/78/69/90/1074786990.db2.gz PCHAOLXPCVETPS-INIZCTEOSA-N 1 0 405.449 1.768 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000477083860 1074790013 /nfs/dbraw/zinc/79/00/13/1074790013.db2.gz QBOSCKOULREIRE-CQSZACIVSA-N 1 0 404.540 1.186 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000477097122 1074792220 /nfs/dbraw/zinc/79/22/20/1074792220.db2.gz IMFAJCDUJBXWAP-KRWDZBQOSA-N 1 0 420.529 1.276 20 0 HDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304896 1074793424 /nfs/dbraw/zinc/79/34/24/1074793424.db2.gz HTKZTVGXKVUBFI-AEFFLSMTSA-N 1 0 420.941 1.942 20 0 HDADRO O=C(NC[C@@]1(N2CCOCC2)CCSC1)Nc1nnc(CC(F)(F)F)s1 ZINC000483949564 1074793649 /nfs/dbraw/zinc/79/36/49/1074793649.db2.gz CIEFKFQQYJFUGQ-ZDUSSCGKSA-N 1 0 411.475 1.972 20 0 HDADRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccn(CCN2CCOCC2)n1 ZINC000438362352 1074796431 /nfs/dbraw/zinc/79/64/31/1074796431.db2.gz YZXLSARLNQEOJM-QGZVFWFLSA-N 1 0 418.567 2.235 20 0 HDADRO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H](c2ccsc2)O1 ZINC000675309205 1074796622 /nfs/dbraw/zinc/79/66/22/1074796622.db2.gz IKIJMOZHFWKHCL-QRQLOZEOSA-N 1 0 408.568 1.626 20 0 HDADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+](C)C2(CO)CCC2)CC1 ZINC000429244998 1074811449 /nfs/dbraw/zinc/81/14/49/1074811449.db2.gz NCDVEGRGZGPIGO-UHFFFAOYSA-N 1 0 402.539 1.179 20 0 HDADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[C@H]2CCCC(=O)N2)cc1OC ZINC000675363844 1074813448 /nfs/dbraw/zinc/81/34/48/1074813448.db2.gz QAWLTIHTBJLAIX-OAHLLOKOSA-N 1 0 404.511 1.764 20 0 HDADRO O=C(NCc1ccccc1CN1CCCC1=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507181157 1074814972 /nfs/dbraw/zinc/81/49/72/1074814972.db2.gz QQJCHPBXQAXSNN-UHFFFAOYSA-N 1 0 418.457 1.645 20 0 HDADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1 ZINC000766112974 1074820713 /nfs/dbraw/zinc/82/07/13/1074820713.db2.gz MWEGCRFSIVGTIX-GOSISDBHSA-N 1 0 419.497 1.952 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)CC[C@@H]21 ZINC000766114328 1074821091 /nfs/dbraw/zinc/82/10/91/1074821091.db2.gz SLVHBECDDFHEAJ-DOMZBBRYSA-N 1 0 413.490 1.962 20 0 HDADRO CC(C)N1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2S1(=O)=O ZINC000766114363 1074821134 /nfs/dbraw/zinc/82/11/34/1074821134.db2.gz SSXWCZHEJRXIRM-RDJZCZTQSA-N 1 0 405.520 1.796 20 0 HDADRO CC(C)N1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2S1(=O)=O ZINC000766114361 1074821240 /nfs/dbraw/zinc/82/12/40/1074821240.db2.gz SSXWCZHEJRXIRM-NVXWUHKLSA-N 1 0 405.520 1.796 20 0 HDADRO CCn1c(CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc2ccccc21 ZINC000785477682 1075091138 /nfs/dbraw/zinc/09/11/38/1075091138.db2.gz KSWKWMSSKHYIEH-INIZCTEOSA-N 1 0 413.522 1.290 20 0 HDADRO COc1ccc([C@H](CNC(=O)C(=O)N2CCN(C3CCC3)CC2)[NH+]2CCCC2)cc1 ZINC000670510550 1075094149 /nfs/dbraw/zinc/09/41/49/1075094149.db2.gz LLFQXVYFJNIQNB-NRFANRHFSA-N 1 0 414.550 1.645 20 0 HDADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000521292502 1075097090 /nfs/dbraw/zinc/09/70/90/1075097090.db2.gz QBPFYAOKUXMADB-SFHVURJKSA-N 1 0 420.558 1.903 20 0 HDADRO CCCC[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)C(=O)Nc1cc(C)on1 ZINC000541168508 1075105728 /nfs/dbraw/zinc/10/57/28/1075105728.db2.gz OISVLUPEGNCRFR-JKSUJKDBSA-N 1 0 402.499 1.995 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(C)C ZINC000675379464 1075119521 /nfs/dbraw/zinc/11/95/21/1075119521.db2.gz DCBRFXGUKMPWBP-MRXNPFEDSA-N 1 0 412.893 1.547 20 0 HDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000041665027 1075121108 /nfs/dbraw/zinc/12/11/08/1075121108.db2.gz UFJKDLFHMOJZLT-UHFFFAOYSA-N 1 0 405.506 1.730 20 0 HDADRO O=C(Nc1ccccc1O[C@H]1CCOC1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000675402011 1075126590 /nfs/dbraw/zinc/12/65/90/1075126590.db2.gz YAHSCNAHIAYUCX-ROUUACIJSA-N 1 0 417.506 1.506 20 0 HDADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000429341953 1075129985 /nfs/dbraw/zinc/12/99/85/1075129985.db2.gz UDNIRHQUYGODQC-HXUWFJFHSA-N 1 0 423.517 1.039 20 0 HDADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675413093 1075137065 /nfs/dbraw/zinc/13/70/65/1075137065.db2.gz KJVFHTFIGIFOTE-INIZCTEOSA-N 1 0 410.877 1.255 20 0 HDADRO O=C(NCc1nnc(-c2ccccc2)s1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 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C[NH+]1CCN(c2cc(CNC(=O)N[C@H]3CCN(C4CCCCC4)C3=O)ccn2)CC1 ZINC000675807243 1075274470 /nfs/dbraw/zinc/27/44/70/1075274470.db2.gz MRTKTJAZINTAJS-IBGZPJMESA-N 1 0 414.554 1.566 20 0 HDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000675817567 1075276444 /nfs/dbraw/zinc/27/64/44/1075276444.db2.gz SXAFDOGMYWQZPW-HNNXBMFYSA-N 1 0 409.556 1.198 20 0 HDADRO COc1cccc([C@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)CCO2)c1 ZINC000675821628 1075277560 /nfs/dbraw/zinc/27/75/60/1075277560.db2.gz KFLJGWAXUNGDSP-GHTZIAJQSA-N 1 0 402.539 1.947 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000466703358 1075283461 /nfs/dbraw/zinc/28/34/61/1075283461.db2.gz NSQDYHQTFDNKTA-INIZCTEOSA-N 1 0 406.556 1.060 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000466705824 1075284775 /nfs/dbraw/zinc/28/47/75/1075284775.db2.gz PAVHOCBFIXNIMD-VQIMIIECSA-N 1 0 421.501 1.934 20 0 HDADRO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000470407340 1075287921 /nfs/dbraw/zinc/28/79/21/1075287921.db2.gz IWONUOXCLGXWNF-CQSZACIVSA-N 1 0 416.482 1.770 20 0 HDADRO COc1cc([C@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)ccc1S(C)(=O)=O ZINC000675885512 1075289128 /nfs/dbraw/zinc/28/91/28/1075289128.db2.gz CVVFVDQTELGTAI-WMZOPIPTSA-N 1 0 411.568 1.156 20 0 HDADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000675887151 1075289739 /nfs/dbraw/zinc/28/97/39/1075289739.db2.gz YFXLNXSFESWXPY-IRXDYDNUSA-N 1 0 404.946 1.978 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000675917141 1075291548 /nfs/dbraw/zinc/29/15/48/1075291548.db2.gz XASAFKWYUVUYPN-IBGZPJMESA-N 1 0 404.486 1.041 20 0 HDADRO Cc1ccc(NC(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)c(OCC[NH+](C)C)c1 ZINC000555874892 1075296469 /nfs/dbraw/zinc/29/64/69/1075296469.db2.gz GPBVROICGDMHSY-UHFFFAOYSA-N 1 0 422.489 2.152 20 0 HDADRO Cn1c(CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)nc2cc(Cl)ccc21 ZINC000675946124 1075304190 /nfs/dbraw/zinc/30/41/90/1075304190.db2.gz RVCFORZSDDDVAN-HNNXBMFYSA-N 1 0 421.929 1.412 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 ZINC000675929981 1075306660 /nfs/dbraw/zinc/30/66/60/1075306660.db2.gz HOXSSEMLGNZZNE-GOSISDBHSA-N 1 0 402.495 1.225 20 0 HDADRO CCOc1cc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc2nc(C(F)(F)F)nn21 ZINC000675959406 1075309571 /nfs/dbraw/zinc/30/95/71/1075309571.db2.gz GJVGTUMBSTVAIN-UONOGXRCSA-N 1 0 414.432 1.573 20 0 HDADRO CCOc1cc(CN2CC[NH+](C(C)(C)CO)CC2)nc2nc(C(F)(F)F)nn21 ZINC000675964917 1075310261 /nfs/dbraw/zinc/31/02/61/1075310261.db2.gz JAXUCNYCDSDCET-UHFFFAOYSA-N 1 0 402.421 1.430 20 0 HDADRO CC[C@H]1CN(C(=O)C(=O)NCC[N@H+](CC)C2CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000804221038 1075316793 /nfs/dbraw/zinc/31/67/93/1075316793.db2.gz GSCBJJDVZUKNHS-RDJZCZTQSA-N 1 0 410.559 1.739 20 0 HDADRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000466708519 1075320736 /nfs/dbraw/zinc/32/07/36/1075320736.db2.gz RYFGSGMDAUWRRK-KRWDZBQOSA-N 1 0 405.524 1.669 20 0 HDADRO Cc1ccc(OC(F)F)c(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000465302004 1075321711 /nfs/dbraw/zinc/32/17/11/1075321711.db2.gz DCOIAWBDSPZGEX-UHFFFAOYSA-N 1 0 401.373 2.432 20 0 HDADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCc4nncn4CC3)CC2)cc1 ZINC001129156887 1075322672 /nfs/dbraw/zinc/32/26/72/1075322672.db2.gz BJVJWPQSMMYAGM-GOSISDBHSA-N 1 0 410.522 1.970 20 0 HDADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCc4nncn4CC3)CC2)cc1 ZINC001129156888 1075322748 /nfs/dbraw/zinc/32/27/48/1075322748.db2.gz BJVJWPQSMMYAGM-SFHVURJKSA-N 1 0 410.522 1.970 20 0 HDADRO COCCn1cc(C(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)nn1 ZINC001129157496 1075323157 /nfs/dbraw/zinc/32/31/57/1075323157.db2.gz HGKBQGZIPJENSV-UHFFFAOYSA-N 1 0 400.483 1.277 20 0 HDADRO Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000676017632 1075325048 /nfs/dbraw/zinc/32/50/48/1075325048.db2.gz VJNZQGWQVKXNCZ-CVEARBPZSA-N 1 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NC(=O)c1ccccc1N1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000676047305 1075340247 /nfs/dbraw/zinc/34/02/47/1075340247.db2.gz MWDPCMMGGMDVTG-DBVUQKKJSA-N 1 0 415.538 1.041 20 0 HDADRO O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000676049943 1075340531 /nfs/dbraw/zinc/34/05/31/1075340531.db2.gz KHZCHIBAANBUOL-AQNXPRMDSA-N 1 0 406.571 1.987 20 0 HDADRO Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)Nc3cc(C(C)C)on3)CC2)c1 ZINC000441770749 1075345463 /nfs/dbraw/zinc/34/54/63/1075345463.db2.gz ZMHVLLGUAPHQRZ-UHFFFAOYSA-N 1 0 413.522 2.373 20 0 HDADRO Cc1cccc(NC2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2)c1 ZINC000427581235 1075346706 /nfs/dbraw/zinc/34/67/06/1075346706.db2.gz WCKZDXDURHLQIC-UHFFFAOYSA-N 1 0 424.549 2.500 20 0 HDADRO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676092733 1075351654 /nfs/dbraw/zinc/35/16/54/1075351654.db2.gz QQENPVGZHOUMDZ-HNNXBMFYSA-N 1 0 408.437 1.988 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(OCCc3ccccc3)CC2)cn1 ZINC000676092182 1075352525 /nfs/dbraw/zinc/35/25/25/1075352525.db2.gz ASEXWORWWVBYBJ-UHFFFAOYSA-N 1 0 413.522 1.634 20 0 HDADRO CCOc1c(Cl)cc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1OC ZINC000676094000 1075353141 /nfs/dbraw/zinc/35/31/41/1075353141.db2.gz ZCLYXYBGNYZLQS-UHFFFAOYSA-N 1 0 423.901 1.760 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cn1 ZINC000676093553 1075353924 /nfs/dbraw/zinc/35/39/24/1075353924.db2.gz NUJQHUZZNSMKEW-QGZVFWFLSA-N 1 0 423.876 1.776 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cn1 ZINC000676093552 1075353948 /nfs/dbraw/zinc/35/39/48/1075353948.db2.gz NUJQHUZZNSMKEW-KRWDZBQOSA-N 1 0 423.876 1.776 20 0 HDADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC3(CCCCC3)CC2)cn1 ZINC000676094446 1075356225 /nfs/dbraw/zinc/35/62/25/1075356225.db2.gz YLGDNRMIXLMSNQ-UHFFFAOYSA-N 1 0 418.542 1.072 20 0 HDADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094266 1075356484 /nfs/dbraw/zinc/35/64/84/1075356484.db2.gz HBYBSCFLSPYKJZ-UHFFFAOYSA-N 1 0 420.473 1.956 20 0 HDADRO CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095463 1075357400 /nfs/dbraw/zinc/35/74/00/1075357400.db2.gz ISGPZHKQQNHFKK-UHFFFAOYSA-N 1 0 413.459 1.268 20 0 HDADRO COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095777 1075357513 /nfs/dbraw/zinc/35/75/13/1075357513.db2.gz WPSGBDFGBUPGJV-UHFFFAOYSA-N 1 0 423.429 1.610 20 0 HDADRO O=C(NCCCNC(=O)c1cccc(F)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095113 1075357831 /nfs/dbraw/zinc/35/78/31/1075357831.db2.gz GMPPNLUBXYNACT-UHFFFAOYSA-N 1 0 410.409 1.281 20 0 HDADRO CCc1cc(N2CCC[C@H](NC(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C2)ncn1 ZINC000676095144 1075357871 /nfs/dbraw/zinc/35/78/71/1075357871.db2.gz IAURPQHXCBRMFW-INIZCTEOSA-N 1 0 420.477 1.343 20 0 HDADRO Cc1c(C(=O)NCCc2nnc3ccccn32)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731471111 1075358925 /nfs/dbraw/zinc/35/89/25/1075358925.db2.gz OOQVBUYOKMMFCZ-UHFFFAOYSA-N 1 0 416.489 1.579 20 0 HDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccn(CC(=O)OC)n1 ZINC000470432624 1075364155 /nfs/dbraw/zinc/36/41/55/1075364155.db2.gz IVEPORYXOWDHEV-UHFFFAOYSA-N 1 0 416.482 1.851 20 0 HDADRO C[C@H]1CN(c2ccccc2NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H](C)O1 ZINC000676099342 1075365329 /nfs/dbraw/zinc/36/53/29/1075365329.db2.gz FYFGVIMKZRZQMK-HOTGVXAUSA-N 1 0 414.510 1.636 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cn1 ZINC000676099388 1075365528 /nfs/dbraw/zinc/36/55/28/1075365528.db2.gz HHXUTRMMRHHNFL-UHFFFAOYSA-N 1 0 410.434 1.867 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000676099313 1075365942 /nfs/dbraw/zinc/36/59/42/1075365942.db2.gz PHDZRFPALVHZIT-UHFFFAOYSA-N 1 0 405.886 1.691 20 0 HDADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804084370 1075367212 /nfs/dbraw/zinc/36/72/12/1075367212.db2.gz UHKCXZRMLWZDHQ-OAHLLOKOSA-N 1 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/nfs/dbraw/zinc/66/69/59/1075666959.db2.gz ZFVAIVIUZQKTQL-DLBZAZTESA-N 1 0 412.513 2.115 20 0 HDADRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C(N)=O ZINC000676721710 1075667300 /nfs/dbraw/zinc/66/73/00/1075667300.db2.gz JCKKLKGDFSWVNJ-UHFFFAOYSA-N 1 0 404.492 1.186 20 0 HDADRO CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000676743502 1075668415 /nfs/dbraw/zinc/66/84/15/1075668415.db2.gz VRRHORVHLGQBRM-ZWKOTPCHSA-N 1 0 410.540 1.165 20 0 HDADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000676747581 1075669847 /nfs/dbraw/zinc/66/98/47/1075669847.db2.gz HVEWWZCSSMCOEW-QAPCUYQASA-N 1 0 422.551 1.007 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 ZINC000732223026 1075671754 /nfs/dbraw/zinc/67/17/54/1075671754.db2.gz CLASSHLPSPNXHB-MRXNPFEDSA-N 1 0 418.581 1.653 20 0 HDADRO COc1cccc([C@H](O)CNC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000732240645 1075677320 /nfs/dbraw/zinc/67/73/20/1075677320.db2.gz HUALXRWINPAJAM-JOCHJYFZSA-N 1 0 412.534 1.975 20 0 HDADRO CCc1ccc(O[C@H](C)C(=O)N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)cc1 ZINC000538979004 1075682037 /nfs/dbraw/zinc/68/20/37/1075682037.db2.gz PHTLUHQWZBYUOZ-MRXNPFEDSA-N 1 0 421.505 1.923 20 0 HDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccccc1CN1C(=O)CNC1=O ZINC000732232453 1075684779 /nfs/dbraw/zinc/68/47/79/1075684779.db2.gz CUPQTEMSVMBJQQ-MRXNPFEDSA-N 1 0 403.483 1.097 20 0 HDADRO CCCCCC[N@H+](C)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000732263181 1075689426 /nfs/dbraw/zinc/68/94/26/1075689426.db2.gz LAHRXOCGPUZAJB-UHFFFAOYSA-N 1 0 417.597 1.897 20 0 HDADRO CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)CC1 ZINC001084992581 1075697726 /nfs/dbraw/zinc/69/77/26/1075697726.db2.gz HWSKAAZNDZYHAA-GPOTWBHZSA-N 1 0 401.551 1.591 20 0 HDADRO CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000732287983 1075698821 /nfs/dbraw/zinc/69/88/21/1075698821.db2.gz KRXUWAXGJPQWHG-SFHVURJKSA-N 1 0 414.579 1.871 20 0 HDADRO C[NH+](C)CCNC(=O)C1CCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 ZINC000507405566 1075700017 /nfs/dbraw/zinc/70/00/17/1075700017.db2.gz QBJGIWLJLBLOBG-UHFFFAOYSA-N 1 0 416.505 1.226 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3nnc4ccccc4c3O)c2)C1 ZINC000732289448 1075700379 /nfs/dbraw/zinc/70/03/79/1075700379.db2.gz GPFKLJUVQPPOMI-QGZVFWFLSA-N 1 0 419.485 1.963 20 0 HDADRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000515274613 1075700705 /nfs/dbraw/zinc/70/07/05/1075700705.db2.gz CEOQXEKFHNDDQG-QGZVFWFLSA-N 1 0 411.506 1.582 20 0 HDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000491515944 1075700798 /nfs/dbraw/zinc/70/07/98/1075700798.db2.gz VXGOBSYTFSLLBO-BXUZGUMPSA-N 1 0 422.411 1.824 20 0 HDADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)Nc3cc4n(n3)CCCC4)CC2)C[C@H](C)O1 ZINC000498961122 1075701368 /nfs/dbraw/zinc/70/13/68/1075701368.db2.gz GROLSYDABXARCI-CALCHBBNSA-N 1 0 417.554 1.896 20 0 HDADRO CCC[C@@H]1CN(C(=O)CCc2c(C)nc3nc(N)nn3c2C)CC[N@@H+]1CCOC ZINC000501586827 1075705219 /nfs/dbraw/zinc/70/52/19/1075705219.db2.gz CWXNVHFLBUOEHP-MRXNPFEDSA-N 1 0 403.531 1.215 20 0 HDADRO COc1ccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)c(OC)c1 ZINC000536761004 1075711512 /nfs/dbraw/zinc/71/15/12/1075711512.db2.gz SYSCYNJWOQKTHD-UHFFFAOYSA-N 1 0 409.450 1.224 20 0 HDADRO C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512461891 1075717046 /nfs/dbraw/zinc/71/70/46/1075717046.db2.gz GJQDOMCMRBQNRI-MJGOQNOKSA-N 1 0 410.570 1.473 20 0 HDADRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000486225699 1075720325 /nfs/dbraw/zinc/72/03/25/1075720325.db2.gz LLPXMWVGUYMXKV-KXBFYZLASA-N 1 0 409.538 1.522 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000463264336 1075720352 /nfs/dbraw/zinc/72/03/52/1075720352.db2.gz GCOXLHLWZYTFRK-HOCLYGCPSA-N 1 0 401.540 1.472 20 0 HDADRO C[NH+](C)CCCOc1cnccc1CNC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000581453464 1075721033 /nfs/dbraw/zinc/72/10/33/1075721033.db2.gz NLTAMKVMLOSLMS-UHFFFAOYSA-N 1 0 420.539 1.816 20 0 HDADRO Cn1cc(-c2ccc(NC(=O)NCc3ccncc3OCCC[NH+](C)C)nn2)cn1 ZINC000574436822 1075721083 /nfs/dbraw/zinc/72/10/83/1075721083.db2.gz XVUYZOLSZGBYMW-UHFFFAOYSA-N 1 0 410.482 1.924 20 0 HDADRO Cc1ccccc1Nc1nc(N)nc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000490997870 1075721765 /nfs/dbraw/zinc/72/17/65/1075721765.db2.gz UDOPKDDVIUBVBX-HKUYNNGSSA-N 1 0 410.570 1.386 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000429471344 1075723269 /nfs/dbraw/zinc/72/32/69/1075723269.db2.gz UMKLXQQXTINGAT-INIZCTEOSA-N 1 0 415.538 1.050 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C[N@@H+]1Cc1ccccc1 ZINC000429257065 1075723320 /nfs/dbraw/zinc/72/33/20/1075723320.db2.gz NBCQDZYWVIXRLA-ZBFHGGJFSA-N 1 0 422.489 2.161 20 0 HDADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448511627 1075723407 /nfs/dbraw/zinc/72/34/07/1075723407.db2.gz HXIOGCVRTKLRHQ-UHFFFAOYSA-N 1 0 415.391 2.113 20 0 HDADRO C[NH+](C)CCN1CCC(NC(=O)NCCNc2ccc(-c3ccccc3)nn2)CC1 ZINC000443643542 1075723651 /nfs/dbraw/zinc/72/36/51/1075723651.db2.gz BJKHCKJIZCKAGX-UHFFFAOYSA-N 1 0 411.554 1.881 20 0 HDADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCN(c2nc(N)ns2)CC1)[NH+](C)C ZINC000508869537 1075723939 /nfs/dbraw/zinc/72/39/39/1075723939.db2.gz YFXIPRJABCHDJT-GOEBONIOSA-N 1 0 403.556 1.952 20 0 HDADRO Nc1nccc([C@H]2CCCN(CC(=O)N3CCN(Cc4cccs4)CC3)C2)n1 ZINC000554842088 1075726461 /nfs/dbraw/zinc/72/64/61/1075726461.db2.gz GFKJGGVITMLNLC-INIZCTEOSA-N 1 0 400.552 1.644 20 0 HDADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000533455417 1075726638 /nfs/dbraw/zinc/72/66/38/1075726638.db2.gz LPEBDUIUJYEHFJ-UHFFFAOYSA-N 1 0 413.400 1.641 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000533004422 1075728673 /nfs/dbraw/zinc/72/86/73/1075728673.db2.gz GKTVISNVJANCAC-UHFFFAOYSA-N 1 0 403.458 1.592 20 0 HDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCN(S(=O)(=O)c4cccs4)C3)[C@@H]2C1 ZINC000509258843 1075728972 /nfs/dbraw/zinc/72/89/72/1075728972.db2.gz POHXPVIOYXIMJD-ARFHVFGLSA-N 1 0 412.581 1.494 20 0 HDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCN(S(=O)(=O)c4cccs4)C3)[C@H]2C1 ZINC000509258849 1075728991 /nfs/dbraw/zinc/72/89/91/1075728991.db2.gz POHXPVIOYXIMJD-XHSDSOJGSA-N 1 0 412.581 1.494 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC000504302384 1075730330 /nfs/dbraw/zinc/73/03/30/1075730330.db2.gz LKQAGFVAFJEZRI-CQSZACIVSA-N 1 0 405.886 1.717 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)n1 ZINC000484143421 1075730733 /nfs/dbraw/zinc/73/07/33/1075730733.db2.gz XTWODTFEBFZACD-UHFFFAOYSA-N 1 0 420.311 1.731 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)n1 ZINC000532998700 1075732647 /nfs/dbraw/zinc/73/26/47/1075732647.db2.gz LQRZNILVPKQBTG-CABCVRRESA-N 1 0 420.311 1.818 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000429474873 1075735146 /nfs/dbraw/zinc/73/51/46/1075735146.db2.gz XTFUWRWIPBGBTG-KRWDZBQOSA-N 1 0 415.538 1.003 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000438701419 1075735711 /nfs/dbraw/zinc/73/57/11/1075735711.db2.gz OQLVCNIJNGOOEO-AWEZNQCLSA-N 1 0 419.917 2.376 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)n1 ZINC000554234117 1075735759 /nfs/dbraw/zinc/73/57/59/1075735759.db2.gz SMXYZHRTCBOWLA-ZDUSSCGKSA-N 1 0 404.437 1.757 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N2CCNC(=O)[C@@H]2c2c(F)cccc2Cl)n1 ZINC000462680813 1075736020 /nfs/dbraw/zinc/73/60/20/1075736020.db2.gz MOWZZCSEIDCHGF-INIZCTEOSA-N 1 0 408.865 1.942 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)NCc2cc(Br)cc3c2OCC3)n1 ZINC000462686841 1075738006 /nfs/dbraw/zinc/73/80/06/1075738006.db2.gz UMEHTWPOMLNKKT-UHFFFAOYSA-N 1 0 408.300 2.464 20 0 HDADRO C[NH+](C)Cc1ccc(CNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)cc1F ZINC000429212497 1075742905 /nfs/dbraw/zinc/74/29/05/1075742905.db2.gz HKDSJKZGRKEWPL-UHFFFAOYSA-N 1 0 414.441 1.899 20 0 HDADRO COC(=O)CN1CCN(c2ccc(NC(=O)N3CCC([NH2+]C(C)C)CC3)cc2)CC1 ZINC000732432545 1075743885 /nfs/dbraw/zinc/74/38/85/1075743885.db2.gz MFXMLMIALHIYJR-UHFFFAOYSA-N 1 0 417.554 1.976 20 0 HDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509259559 1075745267 /nfs/dbraw/zinc/74/52/67/1075745267.db2.gz VNCUIFSDIUICEM-LSDHHAIUSA-N 1 0 400.570 1.494 20 0 HDADRO COc1ccc([C@H]2CCCN2CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)c(OC)c1 ZINC000732487117 1075748450 /nfs/dbraw/zinc/74/84/50/1075748450.db2.gz HXRYHGKSCVFZQL-QGZVFWFLSA-N 1 0 402.495 1.814 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CCCC[C@H]2CN2CCCC2=O)CC1 ZINC000732456634 1075748808 /nfs/dbraw/zinc/74/88/08/1075748808.db2.gz YRXOJZRPXDEOPE-IBGZPJMESA-N 1 0 414.554 1.520 20 0 HDADRO CN1CCC([NH+]2CCC(NC(=O)N3CCCC[C@H]3CN3CCCC3=O)CC2)CC1 ZINC000732457798 1075749349 /nfs/dbraw/zinc/74/93/49/1075749349.db2.gz AFUFZKXDIIHSIZ-FQEVSTJZSA-N 1 0 405.587 1.732 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCCC[C@H]2C2OCCO2)c1 ZINC000732461450 1075751240 /nfs/dbraw/zinc/75/12/40/1075751240.db2.gz SNGKLHGXZNFBIC-SFHVURJKSA-N 1 0 404.511 1.415 20 0 HDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000732463241 1075751276 /nfs/dbraw/zinc/75/12/76/1075751276.db2.gz LGFNFNFXLOSJIC-PKOBYXMFSA-N 1 0 404.511 1.919 20 0 HDADRO CCOC(=O)c1c(C(C)C)csc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000429475059 1075752512 /nfs/dbraw/zinc/75/25/12/1075752512.db2.gz YHNNPSFAYGBJAW-CQSZACIVSA-N 1 0 424.567 1.739 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccnc(N3CCCCC3)c2)CC1 ZINC000509263874 1075752953 /nfs/dbraw/zinc/75/29/53/1075752953.db2.gz NRDWCVMTIREXGG-UHFFFAOYSA-N 1 0 416.570 1.768 20 0 HDADRO CN(C)c1noc([C@@H]2CCCN(C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)C2)n1 ZINC000560984817 1075755368 /nfs/dbraw/zinc/75/53/68/1075755368.db2.gz POOSDTUFTIQTIN-CQSZACIVSA-N 1 0 402.503 2.010 20 0 HDADRO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000429267545 1075756017 /nfs/dbraw/zinc/75/60/17/1075756017.db2.gz MXLSAEPMMGJQRI-SFHVURJKSA-N 1 0 412.513 1.865 20 0 HDADRO Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000732478232 1075757599 /nfs/dbraw/zinc/75/75/99/1075757599.db2.gz QSHNPUXDBLOHHE-UHFFFAOYSA-N 1 0 423.517 1.232 20 0 HDADRO CN(C(=O)C(=O)N1CCN(c2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732480151 1075758059 /nfs/dbraw/zinc/75/80/59/1075758059.db2.gz VDSIACBMRJGANR-UHFFFAOYSA-N 1 0 410.518 1.939 20 0 HDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000732485244 1075762094 /nfs/dbraw/zinc/76/20/94/1075762094.db2.gz OMCPBYUEAPBKKS-MRXNPFEDSA-N 1 0 407.946 1.631 20 0 HDADRO COc1cccc([C@H](O)CNC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)c1 ZINC000732485068 1075762398 /nfs/dbraw/zinc/76/23/98/1075762398.db2.gz ODICRXSJCVEXSR-GOSISDBHSA-N 1 0 401.463 1.554 20 0 HDADRO COC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 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405.890 1.036 20 0 HDADRO CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccc(C[NH+]4CCCC4)cn3)C2)C1 ZINC001164721959 720282361 /nfs/dbraw/zinc/28/23/61/720282361.db2.gz NSBWJVVADVKZQX-QFIPXVFZSA-N 1 0 401.555 1.342 20 0 HDADRO CCOC(=O)c1cncnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819913 720285900 /nfs/dbraw/zinc/28/59/00/720285900.db2.gz TUKKIISMIYDAIV-MSOLQXFVSA-N 1 0 401.511 1.565 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(Cl)ncc2C(N)=O)CC1 ZINC001164820034 720295467 /nfs/dbraw/zinc/29/54/67/720295467.db2.gz GKOOBAZLCXHYQF-JKSUJKDBSA-N 1 0 405.930 1.745 20 0 HDADRO CCOC(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164820978 720302219 /nfs/dbraw/zinc/30/22/19/720302219.db2.gz IMYPFYWPGHLUTI-ZWKOTPCHSA-N 1 0 401.511 1.565 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)c(F)cc2C(N)=O)CC1 ZINC001164822619 720305774 /nfs/dbraw/zinc/30/57/74/720305774.db2.gz NQVZFUZAVYWYBL-HZPDHXFCSA-N 1 0 423.920 1.885 20 0 HDADRO 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SQONAUSNUQVJRH-UHFFFAOYSA-N 1 0 408.554 1.091 20 0 HDADRO Cc1cc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1C(N)=O ZINC001165000932 722250800 /nfs/dbraw/zinc/25/08/00/722250800.db2.gz WUJIJIIFZATLKG-UHFFFAOYSA-N 1 0 406.918 1.827 20 0 HDADRO C[NH+]1CCN(Cc2cccc(C(=O)NCC3(NS(C)(=O)=O)CCCCC3)c2)CC1 ZINC000673634009 1073457538 /nfs/dbraw/zinc/45/75/38/1073457538.db2.gz YFPBOKOQKXAPIH-UHFFFAOYSA-N 1 0 422.595 1.416 20 0 HDADRO COc1ccccc1C(=O)N1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000673638112 1073466640 /nfs/dbraw/zinc/46/66/40/1073466640.db2.gz LZABGLJCPUIKFB-DEOSSOPVSA-N 1 0 423.513 1.617 20 0 HDADRO O=C(Nc1ccc(CCN2CCOCC2)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429056199 1073484661 /nfs/dbraw/zinc/48/46/61/1073484661.db2.gz YWOQZYGJPGSMJP-FQEVSTJZSA-N 1 0 402.539 1.747 20 0 HDADRO CN(CCNC(=O)NCc1cccc(C[NH+](C)C)c1)S(=O)(=O)c1cccs1 ZINC000429070838 1073509930 /nfs/dbraw/zinc/50/99/30/1073509930.db2.gz OEWUUYFUFWIBLY-UHFFFAOYSA-N 1 0 410.565 1.930 20 0 HDADRO COC(=O)Cn1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000429080052 1073523328 /nfs/dbraw/zinc/52/33/28/1073523328.db2.gz XLOJXYXZBSAWBK-NVXWUHKLSA-N 1 0 400.483 1.303 20 0 HDADRO COC(=O)Cn1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000429080054 1073523410 /nfs/dbraw/zinc/52/34/10/1073523410.db2.gz XLOJXYXZBSAWBK-WBVHZDCISA-N 1 0 400.483 1.303 20 0 HDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000429079796 1073524498 /nfs/dbraw/zinc/52/44/98/1073524498.db2.gz BGWJJHNQQULIIM-IXDOHACOSA-N 1 0 400.531 1.513 20 0 HDADRO CCC[C@@]1(C)NC(=O)N(CC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)C1=O ZINC000509101775 1073524927 /nfs/dbraw/zinc/52/49/27/1073524927.db2.gz AHOKBPIBXRZEOK-JOCHJYFZSA-N 1 0 416.522 1.840 20 0 HDADRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000625179195 1073546582 /nfs/dbraw/zinc/54/65/82/1073546582.db2.gz MGVFNEHXFJHBCE-FQEVSTJZSA-N 1 0 407.580 1.863 20 0 HDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001004707732 1073558329 /nfs/dbraw/zinc/55/83/29/1073558329.db2.gz HZMZSSYNYWGXSH-ZACPWLRCSA-N 1 0 413.562 1.780 20 0 HDADRO C[C@@H]1C[N@H+](CC(=O)N2CCN(Cc3ccc(Br)s3)CC2)C[C@@H]1O ZINC000509114610 1073573417 /nfs/dbraw/zinc/57/34/17/1073573417.db2.gz WYMQCDUTDODMCQ-OCCSQVGLSA-N 1 0 402.358 1.467 20 0 HDADRO COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC1 ZINC000509116299 1073578486 /nfs/dbraw/zinc/57/84/86/1073578486.db2.gz YZOAXJRXLJKUKG-SFHVURJKSA-N 1 0 412.490 1.369 20 0 HDADRO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000673666774 1073620181 /nfs/dbraw/zinc/62/01/81/1073620181.db2.gz IIXRKOGBNIISPB-MRXNPFEDSA-N 1 0 410.540 1.483 20 0 HDADRO Cc1nnc(CN(C)CC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)n1C ZINC000509125253 1073624111 /nfs/dbraw/zinc/62/41/11/1073624111.db2.gz LCEHHIBGVFLYNI-UHFFFAOYSA-N 1 0 413.570 1.192 20 0 HDADRO CN(C(=O)C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670022 1073625552 /nfs/dbraw/zinc/62/55/52/1073625552.db2.gz OIMLDRLBUPUULR-GOTSBHOMSA-N 1 0 414.594 1.904 20 0 HDADRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1=O ZINC000673672593 1073626825 /nfs/dbraw/zinc/62/68/25/1073626825.db2.gz GETGBSGCDNICLK-GOEBONIOSA-N 1 0 412.456 1.810 20 0 HDADRO NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c1 ZINC000673672178 1073627562 /nfs/dbraw/zinc/62/75/62/1073627562.db2.gz DUDMWJRSIXKKPB-UHFFFAOYSA-N 1 0 400.435 1.964 20 0 HDADRO O=C(CN[C@H](c1ccccc1)C(F)(F)F)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673673629 1073629420 /nfs/dbraw/zinc/62/94/20/1073629420.db2.gz YBIKZLPEVZGWBK-PKOBYXMFSA-N 1 0 414.472 1.402 20 0 HDADRO COC[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000673674963 1073631576 /nfs/dbraw/zinc/63/15/76/1073631576.db2.gz JYQSCHDYXBKLID-HOCLYGCPSA-N 1 0 401.429 1.919 20 0 HDADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)CC2)c1 ZINC000673684793 1073640131 /nfs/dbraw/zinc/64/01/31/1073640131.db2.gz JSABLUSDAHAHKM-GHTZIAJQSA-N 1 0 424.549 1.551 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C(=O)N1c1cnn(C)c1 ZINC000673684832 1073640881 /nfs/dbraw/zinc/64/08/81/1073640881.db2.gz KUZMZCCAIWSWNW-UZLBHIALSA-N 1 0 410.522 1.091 20 0 HDADRO CN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673701188 1073643467 /nfs/dbraw/zinc/64/34/67/1073643467.db2.gz VKVPYEKZDFTPAN-SFHVURJKSA-N 1 0 417.531 1.836 20 0 HDADRO Cn1cnc2c1c(=O)n(CCCN1CC[C@@H]([N@H+](C)Cc3ccccc3)C1)c(=O)n2C ZINC000673716684 1073648756 /nfs/dbraw/zinc/64/87/56/1073648756.db2.gz YQDAZYBKSKIPKM-GOSISDBHSA-N 1 0 410.522 1.030 20 0 HDADRO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000673710407 1073649938 /nfs/dbraw/zinc/64/99/38/1073649938.db2.gz ZPTDOVUPNAOYJC-FKBYEOEOSA-N 1 0 416.566 1.873 20 0 HDADRO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000673710409 1073650001 /nfs/dbraw/zinc/65/00/01/1073650001.db2.gz ZPTDOVUPNAOYJC-VSKRKVRLSA-N 1 0 416.566 1.873 20 0 HDADRO O=C(C[NH2+][C@@H](Cn1cccn1)c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000673714310 1073653558 /nfs/dbraw/zinc/65/35/58/1073653558.db2.gz STVXNVLOQXYCTM-IBGZPJMESA-N 1 0 407.474 1.792 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000673729470 1073661979 /nfs/dbraw/zinc/66/19/79/1073661979.db2.gz LKUQQTVOCMYPPB-DOTOQJQBSA-N 1 0 400.516 1.947 20 0 HDADRO O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)NCCn2ncnn2)cc1 ZINC000766023056 1073670364 /nfs/dbraw/zinc/67/03/64/1073670364.db2.gz TUADHLCYEMSRSG-UHFFFAOYSA-N 1 0 400.487 1.699 20 0 HDADRO C[NH+](C)C1(CNC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1 ZINC000429121017 1073686290 /nfs/dbraw/zinc/68/62/90/1073686290.db2.gz DIHSYMBJRVUPQI-UHFFFAOYSA-N 1 0 408.568 1.871 20 0 HDADRO COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000429120598 1073687466 /nfs/dbraw/zinc/68/74/66/1073687466.db2.gz HKCMMXAMROVYDL-UHFFFAOYSA-N 1 0 409.552 1.877 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000673774414 1073707038 /nfs/dbraw/zinc/70/70/38/1073707038.db2.gz BADQKBWITLGEKA-ROUUACIJSA-N 1 0 417.554 1.507 20 0 HDADRO C[C@@H]1COCCCN1C(=O)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000673782112 1073719423 /nfs/dbraw/zinc/71/94/23/1073719423.db2.gz AKYFQABUBYCXBZ-LJQANCHMSA-N 1 0 417.550 1.811 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000673779140 1073735518 /nfs/dbraw/zinc/73/55/18/1073735518.db2.gz XLYAGEVHMCNUPK-PXNSSMCTSA-N 1 0 410.522 1.831 20 0 HDADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1CCC[C@@H](CO)CC1 ZINC000491899577 1073737184 /nfs/dbraw/zinc/73/71/84/1073737184.db2.gz NBBABCZETKMTBX-GOSISDBHSA-N 1 0 405.564 1.837 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccc(Cl)cc1 ZINC000673789485 1073743693 /nfs/dbraw/zinc/74/36/93/1073743693.db2.gz WAGOLAQYWAEJND-INIZCTEOSA-N 1 0 406.845 1.936 20 0 HDADRO O=C(NCCC1CCS(=O)(=O)CC1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000509149372 1073746771 /nfs/dbraw/zinc/74/67/71/1073746771.db2.gz FMINIXDMALPUTD-UHFFFAOYSA-N 1 0 423.579 1.657 20 0 HDADRO CCS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000429137063 1073750734 /nfs/dbraw/zinc/75/07/34/1073750734.db2.gz AXPUVJHXHZFUGH-VQIMIIECSA-N 1 0 408.568 1.620 20 0 HDADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1Cc2ccccc2O[C@@H](C)C1 ZINC000429142473 1073758386 /nfs/dbraw/zinc/75/83/86/1073758386.db2.gz NUUBODASEFFMSC-HOTGVXAUSA-N 1 0 417.531 1.664 20 0 HDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)C1 ZINC000673809644 1073761779 /nfs/dbraw/zinc/76/17/79/1073761779.db2.gz NHAYMNLUHAKNCK-OAHLLOKOSA-N 1 0 418.519 1.871 20 0 HDADRO C[C@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[N@H+](CCCCCn2cncn2)CCO1 ZINC001108089887 1073765870 /nfs/dbraw/zinc/76/58/70/1073765870.db2.gz PLFHNKHXGQEEIU-JJMGOROYSA-N 1 0 403.527 1.079 20 0 HDADRO O=C(N[C@H](CCCO)c1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000509154500 1073775630 /nfs/dbraw/zinc/77/56/30/1073775630.db2.gz OXTKTULFUKRDAE-NJYVYQBISA-N 1 0 417.550 1.501 20 0 HDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc2ccc(F)cc2nc1C ZINC000466540742 1073796955 /nfs/dbraw/zinc/79/69/55/1073796955.db2.gz PIIRYUWPNKKARJ-UHFFFAOYSA-N 1 0 402.470 1.545 20 0 HDADRO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673839162 1073803234 /nfs/dbraw/zinc/80/32/34/1073803234.db2.gz AGFLHYBUMAOBIX-SFHVURJKSA-N 1 0 401.511 1.336 20 0 HDADRO C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N(C)CCCC[NH+](C)C ZINC000673841488 1073805376 /nfs/dbraw/zinc/80/53/76/1073805376.db2.gz YBEQLJVYIBKCLW-HNNXBMFYSA-N 1 0 413.540 1.315 20 0 HDADRO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000057274109 1073806787 /nfs/dbraw/zinc/80/67/87/1073806787.db2.gz JMJTWLASWZMBHN-UHFFFAOYSA-N 1 0 406.508 1.544 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000673835968 1073811226 /nfs/dbraw/zinc/81/12/26/1073811226.db2.gz NQYYWDMTRFZODQ-UHFFFAOYSA-N 1 0 424.343 1.870 20 0 HDADRO O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@@H]2CCCN2c2ncccn2)cc1 ZINC000673837706 1073811285 /nfs/dbraw/zinc/81/12/85/1073811285.db2.gz KWGSADRETCWLHM-FQEVSTJZSA-N 1 0 422.533 1.587 20 0 HDADRO CC(C)CCNC(=O)C1CCN(C(=O)C[NH2+][C@H](CC(N)=O)C2CCCCC2)CC1 ZINC000543492387 1073821721 /nfs/dbraw/zinc/82/17/21/1073821721.db2.gz VUTBJQMRYKDWFG-LJQANCHMSA-N 1 0 408.587 1.801 20 0 HDADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862754 1073829786 /nfs/dbraw/zinc/82/97/86/1073829786.db2.gz QGKOHBYQEPASIR-UHFFFAOYSA-N 1 0 419.445 1.161 20 0 HDADRO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)Nc3cnn(-c4cc[nH+]cc4)c3)cn2)C[C@H](C)O1 ZINC000673863540 1073830398 /nfs/dbraw/zinc/83/03/98/1073830398.db2.gz QYHMQCBCSITJJH-GASCZTMLSA-N 1 0 424.465 1.744 20 0 HDADRO C[C@@H]1CN(c2ccc(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)cn2)C[C@@H](C)O1 ZINC000673869701 1073833624 /nfs/dbraw/zinc/83/36/24/1073833624.db2.gz UJDWUFBZSADREF-HZPDHXFCSA-N 1 0 401.515 1.775 20 0 HDADRO C[C@H]1CN(Cc2cccc(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)c2)CCO1 ZINC000673869049 1073834350 /nfs/dbraw/zinc/83/43/50/1073834350.db2.gz LAMFVBZLJNKAMR-KRWDZBQOSA-N 1 0 400.527 1.987 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 ZINC000673870552 1073834977 /nfs/dbraw/zinc/83/49/77/1073834977.db2.gz OGUFIPIRSLEIDN-UHFFFAOYSA-N 1 0 424.502 1.122 20 0 HDADRO CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000673870164 1073835779 /nfs/dbraw/zinc/83/57/79/1073835779.db2.gz JEPAHMLSEHYYJZ-UHFFFAOYSA-N 1 0 422.555 1.795 20 0 HDADRO COc1ccc([C@H](CNC(=O)Nc2cnn(CC[NH+](C)C)c2)N2CCOCC2)cc1 ZINC000673872358 1073838081 /nfs/dbraw/zinc/83/80/81/1073838081.db2.gz WCBMEKYDPWZZHF-FQEVSTJZSA-N 1 0 416.526 1.648 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000673873078 1073840591 /nfs/dbraw/zinc/84/05/91/1073840591.db2.gz UWIZLUHEZBNAOE-UHFFFAOYSA-N 1 0 416.526 1.603 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cn1 ZINC000673867640 1073844410 /nfs/dbraw/zinc/84/44/10/1073844410.db2.gz PXKYSJWDYXHKHB-LJQANCHMSA-N 1 0 414.510 1.675 20 0 HDADRO NC(=O)C[C@H]([NH2+]CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C1CCCCC1 ZINC000543497880 1073848594 /nfs/dbraw/zinc/84/85/94/1073848594.db2.gz ZGYHKDBTXVJZTM-FQEVSTJZSA-N 1 0 414.550 1.821 20 0 HDADRO CON(C)C(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000766040612 1073853985 /nfs/dbraw/zinc/85/39/85/1073853985.db2.gz GTYZEOKHXOSYEU-KRWDZBQOSA-N 1 0 403.483 1.090 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000673884352 1073856641 /nfs/dbraw/zinc/85/66/41/1073856641.db2.gz XGAAJYVJIVBBTJ-VQTJNVASSA-N 1 0 400.523 1.682 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000673889319 1073862022 /nfs/dbraw/zinc/86/20/22/1073862022.db2.gz QAOIUZAOLPWIJD-UHFFFAOYSA-N 1 0 400.523 1.827 20 0 HDADRO Cc1c(NC(=O)[C@H](C)N2CC[NH+](C(C)(C)CO)CC2)c(=O)n(-c2ccccc2)n1C ZINC000673895247 1073865985 /nfs/dbraw/zinc/86/59/85/1073865985.db2.gz KHLNZTYNFXAFAQ-KRWDZBQOSA-N 1 0 415.538 1.200 20 0 HDADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)N[C@@H](C)C3CC[NH+](C)CC3)C2=O)c1 ZINC000673913595 1073880345 /nfs/dbraw/zinc/88/03/45/1073880345.db2.gz QAIDVNONVUVQHH-IFXJQAMLSA-N 1 0 404.511 1.839 20 0 HDADRO CN(C)c1cc(CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000466555073 1073901846 /nfs/dbraw/zinc/90/18/46/1073901846.db2.gz JFYFXJXNGSDWST-UHFFFAOYSA-N 1 0 424.549 1.750 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1=O ZINC000673930433 1073902414 /nfs/dbraw/zinc/90/24/14/1073902414.db2.gz JGQLLCIZMQOWAL-JTSKRJEESA-N 1 0 414.506 1.498 20 0 HDADRO Cc1c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000673935787 1073907883 /nfs/dbraw/zinc/90/78/83/1073907883.db2.gz STWPMLPTSISQIT-IRLDBZIGSA-N 1 0 403.486 1.952 20 0 HDADRO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000014529591 1073909565 /nfs/dbraw/zinc/90/95/65/1073909565.db2.gz ZFJNZOGSZQKVIV-UHFFFAOYSA-N 1 0 413.522 1.226 20 0 HDADRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCCOC1 ZINC000543506723 1073910163 /nfs/dbraw/zinc/91/01/63/1073910163.db2.gz FXRHXKYGAVPTAC-QWHCGFSZSA-N 1 0 403.932 1.934 20 0 HDADRO COc1ccc(CCN2C[C@H](C(=O)NC3(C[NH+](C)C)CCC3)CC2=O)cc1OC ZINC000466562970 1073931549 /nfs/dbraw/zinc/93/15/49/1073931549.db2.gz NRMZYQDSNYCSGR-QGZVFWFLSA-N 1 0 403.523 1.695 20 0 HDADRO CNC(=O)[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000429177914 1073959326 /nfs/dbraw/zinc/95/93/26/1073959326.db2.gz BROIUUZQIFZBAV-QUCCMNQESA-N 1 0 416.570 1.396 20 0 HDADRO CCc1cc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n(C)n1 ZINC001005025220 1073970589 /nfs/dbraw/zinc/97/05/89/1073970589.db2.gz LKZKXTIOCQXDBU-JUSBFGHESA-N 1 0 401.555 1.503 20 0 HDADRO C[C@H]([NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1OCCc2sccc21 ZINC000429180306 1073971697 /nfs/dbraw/zinc/97/16/97/1073971697.db2.gz JHIHSWASHVHHIB-ORAYPTAESA-N 1 0 423.560 1.346 20 0 HDADRO C[C@]1(c2ccc(C(=O)N3CCC[C@H]([NH+]4CCOCC4)CC3)cc2)NC(=O)NC1=O ZINC000670444137 1073990753 /nfs/dbraw/zinc/99/07/53/1073990753.db2.gz NYNVJBKXAGVECN-LAUBAEHRSA-N 1 0 400.479 1.068 20 0 HDADRO COc1ccc(NC(=O)NC(=O)CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000543522932 1073992193 /nfs/dbraw/zinc/99/21/93/1073992193.db2.gz DPDATOSXKOCCQK-UHFFFAOYSA-N 1 0 417.554 1.693 20 0 HDADRO O=C(Nc1ccccc1CN1CCNC1=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000543522022 1073992204 /nfs/dbraw/zinc/99/22/04/1073992204.db2.gz QYKAWRMTEUITIM-GOSISDBHSA-N 1 0 413.522 1.627 20 0 HDADRO C[NH+](C)CCc1ccc(CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1 ZINC000466576069 1073997362 /nfs/dbraw/zinc/99/73/62/1073997362.db2.gz SVRVDVIJGDUCCN-UHFFFAOYSA-N 1 0 411.506 1.718 20 0 HDADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000509186713 1074001671 /nfs/dbraw/zinc/00/16/71/1074001671.db2.gz NNEMSECZMWGPOC-OAHLLOKOSA-N 1 0 419.469 1.941 20 0 HDADRO CNS(=O)(=O)c1csc(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000673988548 1074008080 /nfs/dbraw/zinc/00/80/80/1074008080.db2.gz XBLMNPSSAFGGGK-UHFFFAOYSA-N 1 0 410.521 1.200 20 0 HDADRO COCCOc1ccc(Cl)cc1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673990596 1074009986 /nfs/dbraw/zinc/00/99/86/1074009986.db2.gz JUIZQIYZRTUYLT-KRWDZBQOSA-N 1 0 411.930 1.502 20 0 HDADRO C[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000543534459 1074033152 /nfs/dbraw/zinc/03/31/52/1074033152.db2.gz MWQWDWJLGMEHIA-HOTGVXAUSA-N 1 0 401.511 1.387 20 0 HDADRO C[NH+](C)C1CCN(CCNC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000674001476 1074038444 /nfs/dbraw/zinc/03/84/44/1074038444.db2.gz NVNKHRRMPFWKAX-UHFFFAOYSA-N 1 0 403.523 1.953 20 0 HDADRO C[NH+]1CCN(Cc2ccc(CNC(=O)NCCc3cn4c(n3)SCC4)cc2)CC1 ZINC000466591368 1074042264 /nfs/dbraw/zinc/04/22/64/1074042264.db2.gz TUMOUPQOROPLJL-UHFFFAOYSA-N 1 0 414.579 1.778 20 0 HDADRO O=S(=O)(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc2c1OCO2 ZINC000509195855 1074044771 /nfs/dbraw/zinc/04/47/71/1074044771.db2.gz LPBAOVSQQPIZHO-IRXDYDNUSA-N 1 0 404.488 1.577 20 0 HDADRO Cc1[nH]c(=O)c(Br)cc1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000509197897 1074048623 /nfs/dbraw/zinc/04/86/23/1074048623.db2.gz SWOVHGOQRFKNQD-AWEZNQCLSA-N 1 0 413.316 1.531 20 0 HDADRO CC[N@H+](CCO)CCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000470587071 1074050322 /nfs/dbraw/zinc/05/03/22/1074050322.db2.gz FMPWLBFJSKKQPS-KRWDZBQOSA-N 1 0 404.338 1.797 20 0 HDADRO CNC(=O)N[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000466593034 1074054581 /nfs/dbraw/zinc/05/45/81/1074054581.db2.gz LOVVDYPJKIOKNS-HXUWFJFHSA-N 1 0 416.570 1.297 20 0 HDADRO C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)ccc2oc1=O ZINC000058739446 1074057857 /nfs/dbraw/zinc/05/78/57/1074057857.db2.gz WSPMQBLMGHLSTD-HNNXBMFYSA-N 1 0 423.473 1.538 20 0 HDADRO COCc1nc2n(n1)C[C@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000466600871 1074062544 /nfs/dbraw/zinc/06/25/44/1074062544.db2.gz YIKVXOXXEMRXCR-FUHWJXTLSA-N 1 0 400.527 1.949 20 0 HDADRO C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000466601664 1074066377 /nfs/dbraw/zinc/06/63/77/1074066377.db2.gz OHLUHUCWWDVJBT-HMXCVIKNSA-N 1 0 414.550 1.632 20 0 HDADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000058921700 1074078372 /nfs/dbraw/zinc/07/83/72/1074078372.db2.gz OAVGWOXRDBASSP-KRWDZBQOSA-N 1 0 419.547 1.919 20 0 HDADRO C[NH+](C)CCn1c2cc(NC(=O)Cn3nc(-c4ccccc4)oc3=O)ccc2oc1=O ZINC000059003814 1074089087 /nfs/dbraw/zinc/08/90/87/1074089087.db2.gz XORUEVOITBAELQ-UHFFFAOYSA-N 1 0 423.429 1.612 20 0 HDADRO COc1cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc(OC)c1OCC(N)=O ZINC000059004172 1074089387 /nfs/dbraw/zinc/08/93/87/1074089387.db2.gz ASXLLQGQXIRURT-UHFFFAOYSA-N 1 0 407.511 1.760 20 0 HDADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3[C@H](O)C(F)(F)F)cn2)CC1 ZINC000429205069 1074095679 /nfs/dbraw/zinc/09/56/79/1074095679.db2.gz QGCZKJYWAHVXJM-ZBFHGGJFSA-N 1 0 401.433 1.431 20 0 HDADRO C[N@@H+]1CCN(CCCNC(=O)NCC(C)(C)S(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC000674029386 1074097459 /nfs/dbraw/zinc/09/74/59/1074097459.db2.gz OPYFXBZPQHRNEB-GOSISDBHSA-N 1 0 410.584 1.488 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000674034055 1074105233 /nfs/dbraw/zinc/10/52/33/1074105233.db2.gz RZZBORNMMIBMGZ-MAUKXSAKSA-N 1 0 406.531 1.056 20 0 HDADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@H]3[C@@H](O)C(F)(F)F)ccn2)CC1 ZINC000429205842 1074106316 /nfs/dbraw/zinc/10/63/16/1074106316.db2.gz SNJRGGZEYJHWAN-GOEBONIOSA-N 1 0 401.433 1.431 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(OC4CCC4)c(F)c3)CC2)C1 ZINC000674038782 1074109621 /nfs/dbraw/zinc/10/96/21/1074109621.db2.gz CASYUPSSBSRREI-QGZVFWFLSA-N 1 0 418.513 1.934 20 0 HDADRO Cn1c2ncn(CC[NH+]3CCC(c4ncccc4Cl)CC3)c2c(=O)n(C)c1=O ZINC000429207092 1074110359 /nfs/dbraw/zinc/11/03/59/1074110359.db2.gz HKOLVABHOHCMDK-UHFFFAOYSA-N 1 0 402.886 1.362 20 0 HDADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000543562300 1074118287 /nfs/dbraw/zinc/11/82/87/1074118287.db2.gz NMJLERJOPQWYIJ-UHFFFAOYSA-N 1 0 416.522 1.586 20 0 HDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@](C)(O)CSc1cccc(F)c1 ZINC000509210757 1074133523 /nfs/dbraw/zinc/13/35/23/1074133523.db2.gz LKNDFOIERPEAPV-YLJYHZDGSA-N 1 0 411.543 1.728 20 0 HDADRO CCc1cc(N2CCC(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](CC)C[C@H]3C)CC2)ncn1 ZINC000674046067 1074139685 /nfs/dbraw/zinc/13/96/85/1074139685.db2.gz BOWGZPVLANEKRV-APWZRJJASA-N 1 0 416.570 1.313 20 0 HDADRO C[C@H](NC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000674055979 1074148575 /nfs/dbraw/zinc/14/85/75/1074148575.db2.gz JOILBBIWMBRWAG-BBRMVZONSA-N 1 0 409.556 1.972 20 0 HDADRO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766055886 1074150138 /nfs/dbraw/zinc/15/01/38/1074150138.db2.gz YFZBWUFVANQIKJ-RKNYENMMSA-N 1 0 424.610 1.610 20 0 HDADRO C[C@H](Sc1nc(CC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cs1)C(N)=O ZINC001128613442 1074184432 /nfs/dbraw/zinc/18/44/32/1074184432.db2.gz CGLYBQTUSKFFBT-STQMWFEESA-N 1 0 412.581 1.363 20 0 HDADRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)[N@@H+]1CCc2ccccc2C1 ZINC000670466292 1074184962 /nfs/dbraw/zinc/18/49/62/1074184962.db2.gz JQDOMFHOIWKCPK-OAHLLOKOSA-N 1 0 402.520 1.110 20 0 HDADRO CCC[NH+]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)CC1 ZINC001626098401 1074191742 /nfs/dbraw/zinc/19/17/42/1074191742.db2.gz FXZXZPXRZMHXLC-UHFFFAOYSA-N 1 0 424.567 1.829 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000674168483 1074201405 /nfs/dbraw/zinc/20/14/05/1074201405.db2.gz GCRZWFVANLWZBJ-IEBWSBKVSA-N 1 0 423.583 1.031 20 0 HDADRO Nc1ccccc1S(=O)(=O)NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000670467738 1074201942 /nfs/dbraw/zinc/20/19/42/1074201942.db2.gz ZEPZUCPBKMEOFJ-UHFFFAOYSA-N 1 0 420.560 1.735 20 0 HDADRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N1CCC[C@@H](CCO)C1 ZINC000674205286 1074221323 /nfs/dbraw/zinc/22/13/23/1074221323.db2.gz FBMXJGXVZAIDOW-SFHVURJKSA-N 1 0 405.564 1.837 20 0 HDADRO Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCC(CC[NH+]4CCOCC4)CC3)cc12 ZINC000674200998 1074231300 /nfs/dbraw/zinc/23/13/00/1074231300.db2.gz ZGKDBBDPNLAUQR-UHFFFAOYSA-N 1 0 414.510 1.176 20 0 HDADRO Cc1nn(C)c(=O)c(-c2nc(CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cs2)c1C ZINC000674249828 1074242684 /nfs/dbraw/zinc/24/26/84/1074242684.db2.gz KTZDQSZUWILYCJ-DLBZAZTESA-N 1 0 403.552 1.552 20 0 HDADRO Cc1ccc(NC(=O)CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)cc1S(N)(=O)=O ZINC000674250757 1074243197 /nfs/dbraw/zinc/24/31/97/1074243197.db2.gz GQBCUQMMWAIALQ-LJQANCHMSA-N 1 0 416.547 1.787 20 0 HDADRO CSc1ccncc1NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000674269697 1074250159 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JKZKOSYZJOFBST-LLGFUMIMSA-N 1 0 407.559 1.907 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000674634242 1074489255 /nfs/dbraw/zinc/48/92/55/1074489255.db2.gz MATOOMFYYHARIF-AWEZNQCLSA-N 1 0 403.487 1.305 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000674630897 1074494873 /nfs/dbraw/zinc/49/48/73/1074494873.db2.gz JBTSSHRSNKNCOQ-GOSISDBHSA-N 1 0 408.493 1.555 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1=O ZINC000674640347 1074499595 /nfs/dbraw/zinc/49/95/95/1074499595.db2.gz DYSOJCVVFPNKMF-UWJYYQICSA-N 1 0 401.511 1.480 20 0 HDADRO CN1CC[NH+](CC2CCN(c3ncc(I)cn3)CC2)CC1 ZINC000766063563 1074508530 /nfs/dbraw/zinc/50/85/30/1074508530.db2.gz GNKIGUIQNIHSNL-UHFFFAOYSA-N 1 0 401.296 1.545 20 0 HDADRO Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000674725300 1074541095 /nfs/dbraw/zinc/54/10/95/1074541095.db2.gz ZLLPAPLMGCJTFY-YJBOKZPZSA-N 1 0 400.527 1.802 20 0 HDADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c1 ZINC001168753105 1074547628 /nfs/dbraw/zinc/54/76/28/1074547628.db2.gz PQGNUCOEYUIJKG-INIZCTEOSA-N 1 0 423.485 1.920 20 0 HDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)c3ccccc3C(F)(F)F)C2)CC1 ZINC000674799070 1074561861 /nfs/dbraw/zinc/56/18/61/1074561861.db2.gz AHUSHTSFQXIDOG-AWEZNQCLSA-N 1 0 412.456 1.720 20 0 HDADRO COc1cccc2c1OC[C@H](NC(=O)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000670484179 1074572431 /nfs/dbraw/zinc/57/24/31/1074572431.db2.gz QIAZNBNGLFAMCZ-HXUWFJFHSA-N 1 0 423.513 1.896 20 0 HDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000674831050 1074587484 /nfs/dbraw/zinc/58/74/84/1074587484.db2.gz ODXVLRZFLPKRFH-UHFFFAOYSA-N 1 0 411.480 1.098 20 0 HDADRO COc1ccc(C(=O)N2CCC([NH2+]C[C@H](O)COC3CCOCC3)CC2)c(OC)c1 ZINC000674845542 1074591398 /nfs/dbraw/zinc/59/13/98/1074591398.db2.gz UWPSZLOAJSWNBU-KRWDZBQOSA-N 1 0 422.522 1.455 20 0 HDADRO COc1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)sc1S(N)(=O)=O ZINC000674879141 1074600657 /nfs/dbraw/zinc/60/06/57/1074600657.db2.gz AIZHQAWIUOPOMS-CQSZACIVSA-N 1 0 409.533 1.751 20 0 HDADRO CN1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000674882053 1074601136 /nfs/dbraw/zinc/60/11/36/1074601136.db2.gz DBLLXUFTCDFRMY-FQEVSTJZSA-N 1 0 414.575 1.991 20 0 HDADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC(OCCCO)CC3)CC2)cc1 ZINC000674913392 1074618793 /nfs/dbraw/zinc/61/87/93/1074618793.db2.gz SOQNESUKRSXZFE-UHFFFAOYSA-N 1 0 403.567 1.893 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000674922488 1074623133 /nfs/dbraw/zinc/62/31/33/1074623133.db2.gz NIVZBVRACBAPCK-RBUKOAKNSA-N 1 0 404.511 1.067 20 0 HDADRO O=C(NCC1CC[NH+](CCO)CC1)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000429308275 1074661459 /nfs/dbraw/zinc/66/14/59/1074661459.db2.gz KZYRBKIHJVPHHJ-HXUWFJFHSA-N 1 0 402.539 1.224 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CCN2C1=O ZINC000675084168 1074700859 /nfs/dbraw/zinc/70/08/59/1074700859.db2.gz MRFYEBJZQLQEKA-HUUCEWRRSA-N 1 0 405.524 1.563 20 0 HDADRO CCc1ccc([C@H]2COCCN2C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)o1 ZINC000675086888 1074701905 /nfs/dbraw/zinc/70/19/05/1074701905.db2.gz YEAOQHQOIDVWLZ-LJQANCHMSA-N 1 0 421.538 1.748 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H](c3ccsc3)[NH+](CC)CC)CCN2C1=O ZINC000675087884 1074702517 /nfs/dbraw/zinc/70/25/17/1074702517.db2.gz MSPLNDLZXNSJIZ-HOTGVXAUSA-N 1 0 407.540 1.809 20 0 HDADRO COC(=O)CCCc1nnc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)s1 ZINC000610098971 1074704121 /nfs/dbraw/zinc/70/41/21/1074704121.db2.gz FSLXBSMZIQLAER-UHFFFAOYSA-N 1 0 411.528 1.610 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000675087123 1074705099 /nfs/dbraw/zinc/70/50/99/1074705099.db2.gz KHMPKDZEJDSUCN-UHFFFAOYSA-N 1 0 416.566 1.336 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000477026669 1074706586 /nfs/dbraw/zinc/70/65/86/1074706586.db2.gz ICGNQCDUBZSDOC-AWEZNQCLSA-N 1 0 423.945 1.759 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000675095519 1074707835 /nfs/dbraw/zinc/70/78/35/1074707835.db2.gz QEWAQGVMYKXOOX-MOPGFXCFSA-N 1 0 413.522 1.577 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)CCN2C1=O ZINC000675096216 1074708601 /nfs/dbraw/zinc/70/86/01/1074708601.db2.gz VPTDCLFLKWAFNR-RDJZCZTQSA-N 1 0 419.551 1.638 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)nn1C1CCCCC1 ZINC000577431063 1074711411 /nfs/dbraw/zinc/71/14/11/1074711411.db2.gz ZCASVPBVICMWCC-GOSISDBHSA-N 1 0 417.554 2.206 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nn1[C@@H](C)C1CC1 ZINC000544203227 1074714961 /nfs/dbraw/zinc/71/49/61/1074714961.db2.gz HYKBCKKOHLYBET-HKUYNNGSSA-N 1 0 416.570 1.730 20 0 HDADRO CC(C)n1ccc(NC(=O)C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000483581187 1074716298 /nfs/dbraw/zinc/71/62/98/1074716298.db2.gz MLHIZLRPRQVWMW-UHFFFAOYSA-N 1 0 412.538 1.727 20 0 HDADRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000466664867 1074717894 /nfs/dbraw/zinc/71/78/94/1074717894.db2.gz GLSPSRHYDMFEOD-OKILXGFUSA-N 1 0 401.479 1.671 20 0 HDADRO CCC1(CC)[C@H]([NH2+]CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)[C@H](C)[C@@H]1OC ZINC000429318458 1074721188 /nfs/dbraw/zinc/72/11/88/1074721188.db2.gz NNKKEUNPARDWKI-IDCNUPLLSA-N 1 0 404.573 1.078 20 0 HDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000490467175 1074722194 /nfs/dbraw/zinc/72/21/94/1074722194.db2.gz AFFKCASUTOCHOF-OAHLLOKOSA-N 1 0 419.913 1.817 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)C[N@@H+]1Cc1ccccc1 ZINC000675107629 1074722479 /nfs/dbraw/zinc/72/24/79/1074722479.db2.gz XECTXBUFQOBFIS-YDGKCNFYSA-N 1 0 413.522 1.669 20 0 HDADRO COC(=O)CCc1nnc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000467469228 1074727484 /nfs/dbraw/zinc/72/74/84/1074727484.db2.gz MUBDGHBTCOWWCE-UKRRQHHQSA-N 1 0 403.508 2.428 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](c1nccn1C)c1ccc(OC)cc1 ZINC000477030664 1074729397 /nfs/dbraw/zinc/72/93/97/1074729397.db2.gz WFMRSVHSZIEEOM-YJBOKZPZSA-N 1 0 401.511 1.481 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000675127028 1074731179 /nfs/dbraw/zinc/73/11/79/1074731179.db2.gz YSKALNPUPRTBKE-UZLBHIALSA-N 1 0 408.502 1.693 20 0 HDADRO COc1ccc(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1OC ZINC000675132728 1074736902 /nfs/dbraw/zinc/73/69/02/1074736902.db2.gz PMAIARSSYJMIRW-SFHVURJKSA-N 1 0 405.539 1.504 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000477034903 1074740660 /nfs/dbraw/zinc/74/06/60/1074740660.db2.gz PVQUESMQQBVBAB-MRXNPFEDSA-N 1 0 406.502 1.347 20 0 HDADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2cnc3c(c2)nnn3C)CC1)C(C)C ZINC000543615050 1074742884 /nfs/dbraw/zinc/74/28/84/1074742884.db2.gz OPBBBSKVDZVKPZ-UHFFFAOYSA-N 1 0 415.542 1.451 20 0 HDADRO COCC(C)(C)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000429244697 1074746326 /nfs/dbraw/zinc/74/63/26/1074746326.db2.gz MCWUCJILUSKGHY-UHFFFAOYSA-N 1 0 401.504 1.015 20 0 HDADRO Cc1cccc(N2C[C@H](C(=O)OCC(=O)NC3CC[NH+](C4CC4)CC3)CC2=O)c1C ZINC000923094521 1074746943 /nfs/dbraw/zinc/74/69/43/1074746943.db2.gz IMBCIIYHFMXOMY-QGZVFWFLSA-N 1 0 413.518 1.943 20 0 HDADRO COC(=O)c1ccc2c(c1)nc(C)n(C[C@H](O)C[N@@H+]1CCc3ccccc3C1)c2=O ZINC000142680110 1074749571 /nfs/dbraw/zinc/74/95/71/1074749571.db2.gz WALQVFCKSWYDJX-LJQANCHMSA-N 1 0 407.470 1.911 20 0 HDADRO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(O[C@@H]2CCOC2)c1 ZINC000675201344 1074756285 /nfs/dbraw/zinc/75/62/85/1074756285.db2.gz ARJWNLJCRGLQAT-AQNXPRMDSA-N 1 0 403.523 1.903 20 0 HDADRO CN1CCN(C(=O)c2cc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)ccn2)CC1 ZINC000543616591 1074757701 /nfs/dbraw/zinc/75/77/01/1074757701.db2.gz KLSSERNMPXCFHO-UHFFFAOYSA-N 1 0 414.554 1.951 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccccc4)n3)CC2)C1 ZINC000675209568 1074758414 /nfs/dbraw/zinc/75/84/14/1074758414.db2.gz GAZMFLNIYOHVJY-LJQANCHMSA-N 1 0 410.522 1.108 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000429323188 1074761010 /nfs/dbraw/zinc/76/10/10/1074761010.db2.gz SZDKUQQMIGRJSW-QGZVFWFLSA-N 1 0 423.602 1.511 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCc2ccncc2OCC[NH+](C)C)nn1[C@H](C)C1CC1 ZINC000574237673 1074761653 /nfs/dbraw/zinc/76/16/53/1074761653.db2.gz QKQTVPDDKIQVEZ-OAHLLOKOSA-N 1 0 414.510 1.753 20 0 HDADRO COC1(c2ccccc2)CN(C(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000509319028 1074770363 /nfs/dbraw/zinc/77/03/63/1074770363.db2.gz MDDWTZYWMGSVJM-UHFFFAOYSA-N 1 0 424.501 1.899 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000477070237 1074779238 /nfs/dbraw/zinc/77/92/38/1074779238.db2.gz RVOZEKWDANSUIO-OALUTQOASA-N 1 0 403.571 1.160 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000477059558 1074780661 /nfs/dbraw/zinc/78/06/61/1074780661.db2.gz SGKAFUYTOAWJCP-SJORKVTESA-N 1 0 403.527 1.414 20 0 HDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 ZINC000675290922 1074782390 /nfs/dbraw/zinc/78/23/90/1074782390.db2.gz FHORCWHLIYRHBK-ROUUACIJSA-N 1 0 404.486 1.032 20 0 HDADRO O=C(CCNS(=O)(=O)c1cccs1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000675282215 1074787324 /nfs/dbraw/zinc/78/73/24/1074787324.db2.gz WKXVJTRESMYAJJ-INIZCTEOSA-N 1 0 415.581 1.520 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000477099898 1074790286 /nfs/dbraw/zinc/79/02/86/1074790286.db2.gz LVXGOTUAMLHFRS-OAHLLOKOSA-N 1 0 407.559 1.466 20 0 HDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000675296228 1074790290 /nfs/dbraw/zinc/79/02/90/1074790290.db2.gz AQHCWRUHBFWKSN-BBRMVZONSA-N 1 0 408.449 1.175 20 0 HDADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C[NH+]1CCCC1 ZINC000675295801 1074790460 /nfs/dbraw/zinc/79/04/60/1074790460.db2.gz QHEVERKKKPZKNK-MRXNPFEDSA-N 1 0 422.476 1.425 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000477086529 1074790329 /nfs/dbraw/zinc/79/03/29/1074790329.db2.gz VSOWRXGWPPKRMT-MRXNPFEDSA-N 1 0 411.506 1.797 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000477093599 1074791907 /nfs/dbraw/zinc/79/19/07/1074791907.db2.gz DSBTZIUGQBSTFY-QGZVFWFLSA-N 1 0 402.539 1.562 20 0 HDADRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000581922613 1074797353 /nfs/dbraw/zinc/79/73/53/1074797353.db2.gz KIWGWKKFFFGVOF-LJQANCHMSA-N 1 0 410.522 2.178 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675318209 1074797773 /nfs/dbraw/zinc/79/77/73/1074797773.db2.gz UNOBYBBWBDMZJR-RDJZCZTQSA-N 1 0 406.914 1.552 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000477107408 1074804701 /nfs/dbraw/zinc/80/47/01/1074804701.db2.gz MKNAHTZBOUTLFU-HZPDHXFCSA-N 1 0 406.527 1.245 20 0 HDADRO CCC1(CNC(=O)C(=O)Nc2ccc(OC)nn2)CC[NH+](Cc2ccccc2)CC1 ZINC000556543433 1074805266 /nfs/dbraw/zinc/80/52/66/1074805266.db2.gz WANXIEAASMWHSF-UHFFFAOYSA-N 1 0 411.506 2.232 20 0 HDADRO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000675326767 1074808028 /nfs/dbraw/zinc/80/80/28/1074808028.db2.gz ZXHPXNMRFFTFFP-QZTJIDSGSA-N 1 0 418.925 1.648 20 0 HDADRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000429329834 1074813084 /nfs/dbraw/zinc/81/30/84/1074813084.db2.gz HNLGFVMKMPIAPQ-RYUDHWBXSA-N 1 0 405.314 1.981 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1)c1ccccc1 ZINC000670503505 1074818033 /nfs/dbraw/zinc/81/80/33/1074818033.db2.gz ICFLBLXXMPWEAV-SFHVURJKSA-N 1 0 410.522 1.349 20 0 HDADRO CCC[NH+]1CCC(N(C)C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000509242250 1075093707 /nfs/dbraw/zinc/09/37/07/1075093707.db2.gz ZZCMEXKHWBAHFS-UHFFFAOYSA-N 1 0 407.580 1.863 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@@H](Nc2ccn(C3CC[NH+](C)CC3)n2)C1=O ZINC000447413224 1075105218 /nfs/dbraw/zinc/10/52/18/1075105218.db2.gz KYNDYSLNMRILMV-OAHLLOKOSA-N 1 0 403.508 2.215 20 0 HDADRO C[C@H](CNC(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O)C[NH+]1CCN(C)CC1 ZINC000429334983 1075107353 /nfs/dbraw/zinc/10/73/53/1075107353.db2.gz UULNIUGTMOSMOK-TZIWHRDSSA-N 1 0 415.582 1.403 20 0 HDADRO CCCCc1nnc(NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000589713597 1075111823 /nfs/dbraw/zinc/11/18/23/1075111823.db2.gz VUUUAFYYSHTWSQ-UHFFFAOYSA-N 1 0 404.540 2.494 20 0 HDADRO Cc1cc(NC(=O)CN2CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)no1 ZINC000522620815 1075112402 /nfs/dbraw/zinc/11/24/02/1075112402.db2.gz UYPGDRQOCRYVQZ-MRXNPFEDSA-N 1 0 408.547 1.615 20 0 HDADRO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000466675598 1075114611 /nfs/dbraw/zinc/11/46/11/1075114611.db2.gz IKCAEXMKQFQLLH-UHFFFAOYSA-N 1 0 422.576 1.267 20 0 HDADRO Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)no1 ZINC000605399657 1075115459 /nfs/dbraw/zinc/11/54/59/1075115459.db2.gz DXJKQNXRXLVTQQ-UHFFFAOYSA-N 1 0 420.473 1.940 20 0 HDADRO CN(C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000675379829 1075119210 /nfs/dbraw/zinc/11/92/10/1075119210.db2.gz QRNSAMFAKXGBSJ-RHSMWYFYSA-N 1 0 422.888 1.396 20 0 HDADRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)CC1 ZINC000446777131 1075123105 /nfs/dbraw/zinc/12/31/05/1075123105.db2.gz QMJZKDOQZXRZIP-UHFFFAOYSA-N 1 0 402.474 1.892 20 0 HDADRO CNS(=O)(=O)N1CCC(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000509244588 1075124468 /nfs/dbraw/zinc/12/44/68/1075124468.db2.gz CMCIXBLHJYPTEM-UHFFFAOYSA-N 1 0 422.595 1.711 20 0 HDADRO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)n1 ZINC000675405489 1075131400 /nfs/dbraw/zinc/13/14/00/1075131400.db2.gz QBGJUEINEILHJJ-YWZLYKJASA-N 1 0 401.536 1.984 20 0 HDADRO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000675410759 1075132621 /nfs/dbraw/zinc/13/26/21/1075132621.db2.gz LREXWLUYDDDSQY-ZIAGYGMSSA-N 1 0 404.467 1.026 20 0 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O=C(CNC(=O)c1ccc(Br)o1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675537532 1075195156 /nfs/dbraw/zinc/19/51/56/1075195156.db2.gz DNOCHEZTGJUQRX-LBPRGKRZSA-N 1 0 400.273 1.141 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)C1 ZINC000032269022 1075195278 /nfs/dbraw/zinc/19/52/78/1075195278.db2.gz CVZIYFXDKDTEEQ-VQIMIIECSA-N 1 0 401.511 1.220 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000675539173 1075195566 /nfs/dbraw/zinc/19/55/66/1075195566.db2.gz YGJORYAPJFNUPY-PKOBYXMFSA-N 1 0 421.563 1.457 20 0 HDADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000675539341 1075195593 /nfs/dbraw/zinc/19/55/93/1075195593.db2.gz ACNWKFYZRVSOFA-UHFFFAOYSA-N 1 0 405.543 1.645 20 0 HDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N(CC(N)=O)C1CCCC1 ZINC000675541418 1075196958 /nfs/dbraw/zinc/19/69/58/1075196958.db2.gz PYZFHVNDYSTFAD-UHFFFAOYSA-N 1 0 424.567 1.095 20 0 HDADRO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 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O=S(=O)(c1ccc(OCC[NH+]2CCC(n3cccn3)CC2)cc1)N1CCOCC1 ZINC000731355398 1075319357 /nfs/dbraw/zinc/31/93/57/1075319357.db2.gz BVSZPDQDYSJSGE-UHFFFAOYSA-N 1 0 420.535 1.620 20 0 HDADRO O=C(NC[C@@H](O)COc1ccccc1Br)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675994324 1075319689 /nfs/dbraw/zinc/31/96/89/1075319689.db2.gz AIOWSTGZUSWWIA-HUUCEWRRSA-N 1 0 412.328 1.972 20 0 HDADRO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429388429 1075325189 /nfs/dbraw/zinc/32/51/89/1075325189.db2.gz RLKIWAFBLRJSCL-ROUUACIJSA-N 1 0 402.539 1.759 20 0 HDADRO C[C@H]1C[C@@H](CCNC(=O)C(=O)NCCOc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000804078044 1075338328 /nfs/dbraw/zinc/33/83/28/1075338328.db2.gz UEVMNATTYOJAJG-AZUAARDMSA-N 1 0 410.518 1.994 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000509378433 1075338415 /nfs/dbraw/zinc/33/84/15/1075338415.db2.gz JRHGHPGNRZZWMK-AZUAARDMSA-N 1 0 423.602 1.118 20 0 HDADRO 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ZINC000676095145 1075357845 /nfs/dbraw/zinc/35/78/45/1075357845.db2.gz IAURPQHXCBRMFW-MRXNPFEDSA-N 1 0 420.477 1.343 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCc3cccc(Br)c3C2)cn1 ZINC000676097133 1075361183 /nfs/dbraw/zinc/36/11/83/1075361183.db2.gz WMLYPIDQGCKCAX-UHFFFAOYSA-N 1 0 420.311 1.731 20 0 HDADRO COc1ccccc1C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)C(C)C ZINC000676097166 1075361907 /nfs/dbraw/zinc/36/19/07/1075361907.db2.gz JDXCIKZMRXOFME-GOSISDBHSA-N 1 0 401.511 1.775 20 0 HDADRO O[C@H](C[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1)CN1CCOCC1 ZINC000429396102 1075362595 /nfs/dbraw/zinc/36/25/95/1075362595.db2.gz FAUDZIHBNGHULH-ZRCGQRJVSA-N 1 0 416.493 1.860 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2nccn2CCc2ccccc2)cn1 ZINC000676098904 1075363094 /nfs/dbraw/zinc/36/30/94/1075363094.db2.gz HCUOGWBIIXTFCV-UHFFFAOYSA-N 1 0 409.494 1.139 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1cn(-c2ccccc2)nn1 ZINC000676099818 1075364262 /nfs/dbraw/zinc/36/42/62/1075364262.db2.gz LSYGVBGXELPRJK-CQSZACIVSA-N 1 0 402.418 1.664 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000676099694 1075364984 /nfs/dbraw/zinc/36/49/84/1075364984.db2.gz VOQSEFQIZZZGNQ-LJQANCHMSA-N 1 0 413.478 1.783 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(O)c(Br)c2)cn1 ZINC000676099432 1075365408 /nfs/dbraw/zinc/36/54/08/1075365408.db2.gz AIKCBFODSZDYIU-UHFFFAOYSA-N 1 0 410.272 1.168 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000731503078 1075369550 /nfs/dbraw/zinc/36/95/50/1075369550.db2.gz WHNVHHXSQCLCJE-UHFFFAOYSA-N 1 0 411.453 1.145 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000676089987 1075372259 /nfs/dbraw/zinc/37/22/59/1075372259.db2.gz NDVJDKWMEQWPTL-UHFFFAOYSA-N 1 0 418.457 1.627 20 0 HDADRO CCOc1ccc(OC)cc1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000565870975 1075372633 /nfs/dbraw/zinc/37/26/33/1075372633.db2.gz UGEKDQMHQBHLLV-UHFFFAOYSA-N 1 0 401.467 2.134 20 0 HDADRO O=C(NCc1ccc(OCC(F)(F)F)nc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090581 1075374527 /nfs/dbraw/zinc/37/45/27/1075374527.db2.gz UBBDKGOVDGGDKI-UHFFFAOYSA-N 1 0 420.351 1.858 20 0 HDADRO C[C@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H](C)O1 ZINC000676090510 1075374915 /nfs/dbraw/zinc/37/49/15/1075374915.db2.gz RILXGJKNCKHRMW-GJZGRUSLSA-N 1 0 400.483 1.210 20 0 HDADRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000676090371 1075375182 /nfs/dbraw/zinc/37/51/82/1075375182.db2.gz RYJOHGPQBYCSRS-KRWDZBQOSA-N 1 0 413.457 1.162 20 0 HDADRO C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676091075 1075375551 /nfs/dbraw/zinc/37/55/51/1075375551.db2.gz YLEZROCMFNBOTC-HNNXBMFYSA-N 1 0 410.482 1.184 20 0 HDADRO CCOC(=O)N(C)C1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000731530663 1075377002 /nfs/dbraw/zinc/37/70/02/1075377002.db2.gz HEDCJRBHRYSMDR-KRWDZBQOSA-N 1 0 404.467 1.417 20 0 HDADRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000731530693 1075377039 /nfs/dbraw/zinc/37/70/39/1075377039.db2.gz IFKYRACDRHFWTJ-WBVHZDCISA-N 1 0 418.494 1.711 20 0 HDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804089877 1075380989 /nfs/dbraw/zinc/38/09/89/1075380989.db2.gz ZDGVNJYUMOHHBX-GVDBMIGSSA-N 1 0 410.559 1.881 20 0 HDADRO Cc1ccc(NC(=O)C(=O)N(C)Cc2nccs2)cc1NC(=O)CC[NH+](C)C ZINC000467565819 1075389898 /nfs/dbraw/zinc/38/98/98/1075389898.db2.gz IETQIHDOWJYXSA-UHFFFAOYSA-N 1 0 403.508 1.939 20 0 HDADRO O=S(=O)(CCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)NCC1CCC1 ZINC000731567509 1075390383 /nfs/dbraw/zinc/39/03/83/1075390383.db2.gz MRXSXRVNXCJZNO-UHFFFAOYSA-N 1 0 424.636 1.835 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804093436 1075393352 /nfs/dbraw/zinc/39/33/52/1075393352.db2.gz NTPOAZHGEQSYIZ-BRWVUGGUSA-N 1 0 410.559 1.929 20 0 HDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804094691 1075394136 /nfs/dbraw/zinc/39/41/36/1075394136.db2.gz WSUWCAAXTLQOAM-LTIDMASMSA-N 1 0 410.559 1.928 20 0 HDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804094694 1075394282 /nfs/dbraw/zinc/39/42/82/1075394282.db2.gz WSUWCAAXTLQOAM-WCXIOVBPSA-N 1 0 410.559 1.928 20 0 HDADRO COc1ccc([C@@H](CNC(=O)N(C)CCC[NH+](C)C)N2CCOCC2)cc1OC ZINC000543659343 1075398427 /nfs/dbraw/zinc/39/84/27/1075398427.db2.gz YFHFCNZARBAKSK-GOSISDBHSA-N 1 0 408.543 1.670 20 0 HDADRO Cc1cc(F)cc2c(O)c(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)cnc12 ZINC000676150986 1075400396 /nfs/dbraw/zinc/40/03/96/1075400396.db2.gz FKQXLZCPAKUBSX-MRXNPFEDSA-N 1 0 402.470 1.112 20 0 HDADRO O=C(NCc1nnnn1-c1ccccc1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000676151349 1075401568 /nfs/dbraw/zinc/40/15/68/1075401568.db2.gz LFQBCLDYKWNBRQ-UYAOXDASSA-N 1 0 421.505 1.345 20 0 HDADRO O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429398980 1075410095 /nfs/dbraw/zinc/41/00/95/1075410095.db2.gz BEVRULKFKDYLRG-YJBOKZPZSA-N 1 0 406.914 1.809 20 0 HDADRO CCSc1nnc(NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000589711345 1075416341 /nfs/dbraw/zinc/41/63/41/1075416341.db2.gz XFSAMJFDQTWLGP-UHFFFAOYSA-N 1 0 408.553 2.263 20 0 HDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000731626440 1075419058 /nfs/dbraw/zinc/41/90/58/1075419058.db2.gz UNUVDIKWYFRQAA-KRWDZBQOSA-N 1 0 415.469 1.044 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)c2ccccc2O1 ZINC000676190526 1075420632 /nfs/dbraw/zinc/42/06/32/1075420632.db2.gz PNSFJIZGKNJYMA-OPAMFIHVSA-N 1 0 408.458 1.711 20 0 HDADRO C[N@@H+]1CCCN(CCCNC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC000676178807 1075422741 /nfs/dbraw/zinc/42/27/41/1075422741.db2.gz USAXUFTZKHGEFZ-NRFANRHFSA-N 1 0 407.559 1.021 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000507679362 1075423269 /nfs/dbraw/zinc/42/32/69/1075423269.db2.gz SWMXGAYTMUERQI-CABCVRRESA-N 1 0 400.458 1.739 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000507679363 1075423373 /nfs/dbraw/zinc/42/33/73/1075423373.db2.gz SWMXGAYTMUERQI-GJZGRUSLSA-N 1 0 400.458 1.739 20 0 HDADRO NS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)s1 ZINC000676186083 1075424949 /nfs/dbraw/zinc/42/49/49/1075424949.db2.gz FAJUVSVJHRNDSX-AWEZNQCLSA-N 1 0 401.554 1.041 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000446780738 1075426412 /nfs/dbraw/zinc/42/64/12/1075426412.db2.gz NJXFQYLDHLNANI-OAHLLOKOSA-N 1 0 402.474 1.890 20 0 HDADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)COc2ccc(S(N)(=O)=O)cc2)c1 ZINC000676194825 1075431368 /nfs/dbraw/zinc/43/13/68/1075431368.db2.gz JPVFMCRZNGCLBW-UHFFFAOYSA-N 1 0 405.520 1.612 20 0 HDADRO COc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c(Br)c1 ZINC000551179407 1075434268 /nfs/dbraw/zinc/43/42/68/1075434268.db2.gz AAQYTZHIYFZJME-UHFFFAOYSA-N 1 0 410.272 1.793 20 0 HDADRO CC[NH+]1CCC(NC(=O)c2ccc(OCC(=O)NC)c(OC)c2)(C(F)(F)F)CC1 ZINC001129196485 1075434950 /nfs/dbraw/zinc/43/49/50/1075434950.db2.gz IQWQZQUXUHDBGF-UHFFFAOYSA-N 1 0 417.428 1.967 20 0 HDADRO Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000582869912 1075443892 /nfs/dbraw/zinc/44/38/92/1075443892.db2.gz ONBRUNFKYRHJBG-UHFFFAOYSA-N 1 0 406.575 1.977 20 0 HDADRO C[C@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676243383 1075445849 /nfs/dbraw/zinc/44/58/49/1075445849.db2.gz LQNQVIXIXMUXOF-FPOVZHCZSA-N 1 0 403.571 1.607 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)c1cccs1 ZINC000731686391 1075446116 /nfs/dbraw/zinc/44/61/16/1075446116.db2.gz ULNMEGMIOQUJFZ-OAHLLOKOSA-N 1 0 402.586 1.159 20 0 HDADRO CS(=O)(=O)CCN1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000731685818 1075448092 /nfs/dbraw/zinc/44/80/92/1075448092.db2.gz CFECKMLLNATNFR-IBGZPJMESA-N 1 0 408.568 1.069 20 0 HDADRO CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731680211 1075462389 /nfs/dbraw/zinc/46/23/89/1075462389.db2.gz DDZCVLLOWYYBOU-UHFFFAOYSA-N 1 0 424.611 1.837 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000731681177 1075463633 /nfs/dbraw/zinc/46/36/33/1075463633.db2.gz LXDQQFOCPXRQFS-HOTGVXAUSA-N 1 0 412.556 1.034 20 0 HDADRO CN1CC[NH+](CC2(C)CCN([C@H]3CC(=O)N(c4ccccc4F)C3=O)CC2)CC1 ZINC000543664922 1075463896 /nfs/dbraw/zinc/46/38/96/1075463896.db2.gz VSKHDMKCXYYBHL-IBGZPJMESA-N 1 0 402.514 1.807 20 0 HDADRO CO[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000946900634 1075464392 /nfs/dbraw/zinc/46/43/92/1075464392.db2.gz FBOAVXCIDYLXTM-LTFPLMDUSA-N 1 0 401.507 1.271 20 0 HDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000676247347 1075465059 /nfs/dbraw/zinc/46/50/59/1075465059.db2.gz HWAJVZFSFRANEV-IAGOWNOFSA-N 1 0 400.531 1.370 20 0 HDADRO CC(C)[C@H](CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC000731683147 1075466485 /nfs/dbraw/zinc/46/64/85/1075466485.db2.gz YRXGSRMPCWNHMS-IBGZPJMESA-N 1 0 416.632 1.551 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000731684754 1075469440 /nfs/dbraw/zinc/46/94/40/1075469440.db2.gz CAWMKIQPSSDGNM-KRWDZBQOSA-N 1 0 416.975 1.933 20 0 HDADRO O=C(CNS(=O)(=O)c1cccs1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000509396587 1075474851 /nfs/dbraw/zinc/47/48/51/1075474851.db2.gz KSZVJLRHXXDPEL-UHFFFAOYSA-N 1 0 415.581 1.377 20 0 HDADRO CN(C(=O)NCCC(=O)N1CCN(C)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470737439 1075480737 /nfs/dbraw/zinc/48/07/37/1075480737.db2.gz ONMFEAGSFFNUJX-HXUWFJFHSA-N 1 0 401.555 1.457 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000676278413 1075481432 /nfs/dbraw/zinc/48/14/32/1075481432.db2.gz HOERIPKGXNZCGO-GUYCJALGSA-N 1 0 412.918 1.054 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CN(C)CCO1 ZINC000676281280 1075489242 /nfs/dbraw/zinc/48/92/42/1075489242.db2.gz VQLLIKVQWKTJGD-FUHIMQAGSA-N 1 0 402.539 1.692 20 0 HDADRO COc1cccc(OCCN2CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)c1 ZINC000483207715 1075490339 /nfs/dbraw/zinc/49/03/39/1075490339.db2.gz GNHOJVKDWFQPQU-UHFFFAOYSA-N 1 0 416.526 1.682 20 0 HDADRO CC[C@H](C)n1nc(NC(=O)C(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)cc1C ZINC000551773502 1075492344 /nfs/dbraw/zinc/49/23/44/1075492344.db2.gz GAWUDBWNZKJRJO-KBXCAEBGSA-N 1 0 401.511 2.529 20 0 HDADRO CN(C)C(=O)CN1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000676289493 1075494933 /nfs/dbraw/zinc/49/49/33/1075494933.db2.gz NRQAIROWZOYOSQ-LJQANCHMSA-N 1 0 421.973 1.892 20 0 HDADRO C[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000676293666 1075497743 /nfs/dbraw/zinc/49/77/43/1075497743.db2.gz YUIZDERQYUQKJT-YRNRMSPPSA-N 1 0 407.534 1.657 20 0 HDADRO 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ZINC000446816261 1075515787 /nfs/dbraw/zinc/51/57/87/1075515787.db2.gz AYDKAHSKBVLYTM-LJQANCHMSA-N 1 0 411.462 1.891 20 0 HDADRO COc1cc(OC)cc(N2C[C@@H](C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC2=O)c1 ZINC000676344565 1075518701 /nfs/dbraw/zinc/51/87/01/1075518701.db2.gz PJANQMHOTFCZKW-DOTOQJQBSA-N 1 0 417.506 1.426 20 0 HDADRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000676345280 1075519065 /nfs/dbraw/zinc/51/90/65/1075519065.db2.gz JBEVEMMDOWDFRA-GOSISDBHSA-N 1 0 409.552 1.537 20 0 HDADRO Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)cc12 ZINC000676345628 1075519547 /nfs/dbraw/zinc/51/95/47/1075519547.db2.gz VPLYNSWUKBUSSV-ZFWWWQNUSA-N 1 0 419.551 1.431 20 0 HDADRO Cc1nc(NC(=O)C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)nn1C ZINC000574057631 1075520921 /nfs/dbraw/zinc/52/09/21/1075520921.db2.gz PTZJFRNDGVMUMW-UHFFFAOYSA-N 1 0 412.538 1.913 20 0 HDADRO Cc1nc([C@@H]2CCCCCN2C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)no1 ZINC000427415021 1075526782 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O=C(Nc1ccc2c(cnn2C(F)F)c1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000676620099 1075619443 /nfs/dbraw/zinc/61/94/43/1075619443.db2.gz QXMNEJRAQXNWLF-ZDUSSCGKSA-N 1 0 421.448 1.987 20 0 HDADRO CO[C@H](C)c1noc(CN2CCCN(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)n1 ZINC000429455150 1075621737 /nfs/dbraw/zinc/62/17/37/1075621737.db2.gz QWQVIWNVEUKIOV-IKGGRYGDSA-N 1 0 408.547 1.867 20 0 HDADRO CC[N@H+](CCNC(=O)CCc1c(C)nc2nc(N)nn2c1C)CCC(F)(F)F ZINC000427282534 1075622721 /nfs/dbraw/zinc/62/27/21/1075622721.db2.gz UIZRMMQIGOODKN-UHFFFAOYSA-N 1 0 401.437 1.646 20 0 HDADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000676632154 1075625249 /nfs/dbraw/zinc/62/52/49/1075625249.db2.gz GUWYKGDJOVMNNL-LJQANCHMSA-N 1 0 402.539 1.089 20 0 HDADRO CC(C)[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000676634785 1075626883 /nfs/dbraw/zinc/62/68/83/1075626883.db2.gz PEMOLHPDDHSWIP-HXUWFJFHSA-N 1 0 408.510 1.578 20 0 HDADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCCc2nc(N)no2)CC1 ZINC000438006493 1075627986 /nfs/dbraw/zinc/62/79/86/1075627986.db2.gz AEVAGVZVSQXQOJ-CYBMUJFWSA-N 1 0 405.478 1.536 20 0 HDADRO COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732134926 1075632684 /nfs/dbraw/zinc/63/26/84/1075632684.db2.gz KJJMERWZCRLLGJ-UHFFFAOYSA-N 1 0 407.492 1.560 20 0 HDADRO COc1cccc([C@@H](CNC(=O)Cc2c(C)nc3nc(N)nn3c2C)[NH+]2CCCC2)c1 ZINC000636952378 1075635731 /nfs/dbraw/zinc/63/57/31/1075635731.db2.gz DSRXVFAMYWUZKU-LJQANCHMSA-N 1 0 423.521 1.828 20 0 HDADRO CCOC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000568418099 1075640134 /nfs/dbraw/zinc/64/01/34/1075640134.db2.gz FYVPYSVHSRNKBP-SJORKVTESA-N 1 0 400.479 1.855 20 0 HDADRO COc1ccccc1Nc1nc(N)nc(CN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)n1 ZINC000581934218 1075641364 /nfs/dbraw/zinc/64/13/64/1075641364.db2.gz ACCNGMVALWENSF-SFHVURJKSA-N 1 0 419.533 1.987 20 0 HDADRO COc1ccccc1Nc1nc(N)nc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000484695078 1075641438 /nfs/dbraw/zinc/64/14/38/1075641438.db2.gz ROVAHYKUSIHRPL-MRXNPFEDSA-N 1 0 413.526 1.172 20 0 HDADRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1S(N)(=O)=O ZINC000676677341 1075644428 /nfs/dbraw/zinc/64/44/28/1075644428.db2.gz FURIKQRDMQNRQY-HNNXBMFYSA-N 1 0 402.520 1.993 20 0 HDADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000732135651 1075644804 /nfs/dbraw/zinc/64/48/04/1075644804.db2.gz JMCQMEFWEIECEZ-HNNXBMFYSA-N 1 0 407.536 1.848 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000732139320 1075647279 /nfs/dbraw/zinc/64/72/79/1075647279.db2.gz NGLQTUSQNLIFJU-WANZOYLWSA-N 1 0 412.534 1.780 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000732149727 1075649861 /nfs/dbraw/zinc/64/98/61/1075649861.db2.gz NSLUSVSPMVWEOQ-INIZCTEOSA-N 1 0 411.531 1.487 20 0 HDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000732150015 1075650306 /nfs/dbraw/zinc/65/03/06/1075650306.db2.gz UEVMRBSAUMGLKH-MCRQTXEHSA-N 1 0 407.478 1.293 20 0 HDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000732150014 1075650375 /nfs/dbraw/zinc/65/03/75/1075650375.db2.gz UEVMRBSAUMGLKH-HNMKQIAWSA-N 1 0 407.478 1.293 20 0 HDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000732150153 1075650645 /nfs/dbraw/zinc/65/06/45/1075650645.db2.gz YVKXZCGAXXALLG-IEBWSBKVSA-N 1 0 415.538 1.325 20 0 HDADRO COc1ccc(COC[C@H](O)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000676701261 1075651712 /nfs/dbraw/zinc/65/17/12/1075651712.db2.gz BLVJXHYFTLGIAF-VQTJNVASSA-N 1 0 407.555 1.293 20 0 HDADRO COc1cccc([C@@H](CNC(=O)c2cc(S(N)(=O)=O)cn2C)[NH+]2CCCC2)c1 ZINC000027342832 1075652196 /nfs/dbraw/zinc/65/21/96/1075652196.db2.gz UAPAOWMCKNLACO-GOSISDBHSA-N 1 0 406.508 1.248 20 0 HDADRO C[N@H+](CCCNC(=O)CNC(=O)c1cnc2ccccc2c1O)Cc1ccccc1 ZINC000071905964 1075652369 /nfs/dbraw/zinc/65/23/69/1075652369.db2.gz JSYOFQIUUOFXKG-UHFFFAOYSA-N 1 0 406.486 1.896 20 0 HDADRO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1=O ZINC000732190422 1075655388 /nfs/dbraw/zinc/65/53/88/1075655388.db2.gz XNEGBGLARWCNCC-MRXNPFEDSA-N 1 0 421.567 1.199 20 0 HDADRO CN(CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732190104 1075655867 /nfs/dbraw/zinc/65/58/67/1075655867.db2.gz WMNXJLPFAGMSDA-HNNXBMFYSA-N 1 0 421.295 1.870 20 0 HDADRO CC(C)CN(C(=O)CON=C(N)C[NH+]1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000732195811 1075657060 /nfs/dbraw/zinc/65/70/60/1075657060.db2.gz PTFNUJZZAMXVTH-MRXNPFEDSA-N 1 0 402.561 1.033 20 0 HDADRO COCc1ncc(C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(N)n1 ZINC000500503379 1075657579 /nfs/dbraw/zinc/65/75/79/1075657579.db2.gz QFWFVWPCOOEDAA-UHFFFAOYSA-N 1 0 404.559 1.474 20 0 HDADRO Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000676723293 1075659975 /nfs/dbraw/zinc/65/99/75/1075659975.db2.gz COOFNIICZFFEAP-OALUTQOASA-N 1 0 424.549 1.896 20 0 HDADRO CC(C)[NH+]1CCN([C@H]2CCN([C@@H](C)c3nc(N)nc(Nc4ccccc4)n3)C2)CC1 ZINC000532568241 1075660200 /nfs/dbraw/zinc/66/02/00/1075660200.db2.gz ZEFIDIWLIIHJRR-HKUYNNGSSA-N 1 0 410.570 1.781 20 0 HDADRO COc1cccc(C(C)(C)CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000676724748 1075660764 /nfs/dbraw/zinc/66/07/64/1075660764.db2.gz DQKBEWUCEOVWOG-IBGZPJMESA-N 1 0 404.555 1.679 20 0 HDADRO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000676729500 1075662541 /nfs/dbraw/zinc/66/25/41/1075662541.db2.gz HYOVSYNCBDDFNE-SJLPKXTDSA-N 1 0 400.523 1.140 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(F)c(F)cc1Br ZINC000676729351 1075663107 /nfs/dbraw/zinc/66/31/07/1075663107.db2.gz AMJCHSZNTGCUOT-GFCCVEGCSA-N 1 0 418.282 1.864 20 0 HDADRO CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000676722392 1075667658 /nfs/dbraw/zinc/66/76/58/1075667658.db2.gz FHZKSWLRSLUZRL-HOTGVXAUSA-N 1 0 414.597 1.854 20 0 HDADRO CNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000676738597 1075671079 /nfs/dbraw/zinc/67/10/79/1075671079.db2.gz BBINTHOEVYYLNB-QFBILLFUSA-N 1 0 407.561 1.967 20 0 HDADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000732198796 1075674354 /nfs/dbraw/zinc/67/43/54/1075674354.db2.gz FTSIPRPZRVUJPA-GOSISDBHSA-N 1 0 410.559 1.110 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)CN(C3CC3)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000732203150 1075675799 /nfs/dbraw/zinc/67/57/99/1075675799.db2.gz NAHOICPMNXYEJX-FQEVSTJZSA-N 1 0 420.579 1.419 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000732249737 1075680265 /nfs/dbraw/zinc/68/02/65/1075680265.db2.gz SKVDUIGTFZUDAU-MRXNPFEDSA-N 1 0 419.551 1.337 20 0 HDADRO CC1CC[NH+](CCNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC1 ZINC000485296891 1075682733 /nfs/dbraw/zinc/68/27/33/1075682733.db2.gz HZJPWDWLYHRNHC-UHFFFAOYSA-N 1 0 411.554 1.771 20 0 HDADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)c3ccccc3)cn2)CC1 ZINC000219438486 1075683773 /nfs/dbraw/zinc/68/37/73/1075683773.db2.gz IDUDCYKOCOYGJH-FQEVSTJZSA-N 1 0 407.518 1.754 20 0 HDADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCc1ccc(-n2cncn2)nc1 ZINC000732269715 1075690099 /nfs/dbraw/zinc/69/00/99/1075690099.db2.gz HYPPIDBZZMRVGX-UHFFFAOYSA-N 1 0 405.506 1.881 20 0 HDADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001545675488 1075699717 /nfs/dbraw/zinc/69/97/17/1075699717.db2.gz ZEEQJZJYJAOUMY-KRWDZBQOSA-N 1 0 411.554 1.805 20 0 HDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000491515946 1075700338 /nfs/dbraw/zinc/70/03/38/1075700338.db2.gz VXGOBSYTFSLLBO-RISCZKNCSA-N 1 0 422.411 1.824 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](COC)C1 ZINC001545675536 1075701149 /nfs/dbraw/zinc/70/11/49/1075701149.db2.gz ZRZIEDGWKAVPHQ-MJGOQNOKSA-N 1 0 402.543 1.846 20 0 HDADRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000429260197 1075710071 /nfs/dbraw/zinc/71/00/71/1075710071.db2.gz ZURMHURGAIWGGS-UHFFFAOYSA-N 1 0 400.462 1.911 20 0 HDADRO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)C2=O ZINC000490023900 1075710777 /nfs/dbraw/zinc/71/07/77/1075710777.db2.gz WAGIJDGXNDREKT-HUUCEWRRSA-N 1 0 416.526 1.835 20 0 HDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000587089472 1075715192 /nfs/dbraw/zinc/71/51/92/1075715192.db2.gz ICVCIKSEPGWVAS-MRXNPFEDSA-N 1 0 416.551 2.193 20 0 HDADRO Nc1nc(=NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2[nH][nH]cc1-2 ZINC000546898917 1075715813 /nfs/dbraw/zinc/71/58/13/1075715813.db2.gz MLDITSHGIWHSQJ-UHFFFAOYSA-N 1 0 420.443 1.952 20 0 HDADRO CC(=O)N(c1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1)[C@H]1C[C@@H]1C ZINC000559883098 1075716007 /nfs/dbraw/zinc/71/60/07/1075716007.db2.gz JAPCGNLBBXGBCX-KSSFIOAISA-N 1 0 412.494 1.783 20 0 HDADRO Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)c1 ZINC000552812032 1075716499 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ZINC000466743329 1075739120 /nfs/dbraw/zinc/73/91/20/1075739120.db2.gz MPIQDCXUPWQHII-UHFFFAOYSA-N 1 0 402.539 1.107 20 0 HDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(CS(C)(=O)=O)CC1 ZINC000429265500 1075741485 /nfs/dbraw/zinc/74/14/85/1075741485.db2.gz QAVZHLQKLOKGTA-SFHVURJKSA-N 1 0 421.607 1.912 20 0 HDADRO C[NH+](C)C[C@@H](NC(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccc(Cl)cc1 ZINC000554888413 1075741724 /nfs/dbraw/zinc/74/17/24/1075741724.db2.gz PXPWNQCXBVMVCM-GOSISDBHSA-N 1 0 420.945 2.293 20 0 HDADRO CN(C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732450808 1075741722 /nfs/dbraw/zinc/74/17/22/1075741722.db2.gz ZNDXSMLXXWILLL-SFHVURJKSA-N 1 0 409.575 1.807 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1OCc1cscn1 ZINC000429477307 1075745656 /nfs/dbraw/zinc/74/56/56/1075745656.db2.gz PPEOXIAYZZBHFN-OAHLLOKOSA-N 1 0 417.535 1.413 20 0 HDADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCC[C@H]3C3OCCO3)cn2)CC1 ZINC000732446190 1075746814 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C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cc(-c3ccccc3F)on2)CC1 ZINC000434075968 1075790406 /nfs/dbraw/zinc/79/04/06/1075790406.db2.gz DYMAJCJVPOUAJD-INIZCTEOSA-N 1 0 401.442 2.251 20 0 HDADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000804237906 1075793226 /nfs/dbraw/zinc/79/32/26/1075793226.db2.gz YVVWOHPZCRHOJZ-AQEOSJORSA-N 1 0 424.586 1.985 20 0 HDADRO COc1ccc(OC)c2c1CN(C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1)C[C@@H]2O ZINC000804238213 1075793230 /nfs/dbraw/zinc/79/32/30/1075793230.db2.gz JRJLTJQDGGAWHC-DQPZFDDXSA-N 1 0 419.522 1.316 20 0 HDADRO CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2ccc(N(C)C(=O)OC)cc2)CC1 ZINC000142838536 1075793789 /nfs/dbraw/zinc/79/37/89/1075793789.db2.gz QCNDNDMVBPWNIU-UHFFFAOYSA-N 1 0 419.526 1.362 20 0 HDADRO C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)Nc2cc[nH]n2)c1 ZINC000426175452 1075795403 /nfs/dbraw/zinc/79/54/03/1075795403.db2.gz HJQJWAVONWSOMU-LBPRGKRZSA-N 1 0 402.430 1.939 20 0 HDADRO C[N@@H+]1CCC[C@@H](CNC(=O)N(CCO)CCN2CCOCC2)[C@H]1c1cccs1 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/nfs/dbraw/zinc/80/87/31/1075808731.db2.gz BEIPMMSNFYNJSR-HNNXBMFYSA-N 1 0 419.913 2.081 20 0 HDADRO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC[C@@H](CSC)C2)c(=O)[nH]c1=O ZINC000429282979 1075809556 /nfs/dbraw/zinc/80/95/56/1075809556.db2.gz HIOIABSSVIOUIM-CQSZACIVSA-N 1 0 411.572 1.759 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C[N@@H+]1Cc1ccccc1 ZINC000429257061 1075812129 /nfs/dbraw/zinc/81/21/29/1075812129.db2.gz NBCQDZYWVIXRLA-GOEBONIOSA-N 1 0 422.489 2.161 20 0 HDADRO CCOC(=O)CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000611037238 1075818318 /nfs/dbraw/zinc/81/83/18/1075818318.db2.gz HBWXDFJZMWTSJO-GJZGRUSLSA-N 1 0 411.524 1.716 20 0 HDADRO Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000611039177 1075819082 /nfs/dbraw/zinc/81/90/82/1075819082.db2.gz OCIZBLLYVYAPRX-KRWDZBQOSA-N 1 0 408.568 1.191 20 0 HDADRO CC[NH+]1CCN(c2ccc(C(=O)NCC3CCN(S(=O)(=O)CC)CC3)cc2)CC1 ZINC000543600902 1075821001 /nfs/dbraw/zinc/82/10/01/1075821001.db2.gz TVAQHAWWHHYGCX-UHFFFAOYSA-N 1 0 422.595 1.620 20 0 HDADRO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN(C)CC(F)(F)F ZINC000732669007 1075826166 /nfs/dbraw/zinc/82/61/66/1075826166.db2.gz MUZXSQOLSDMYKZ-NSHDSACASA-N 1 0 402.870 1.788 20 0 HDADRO CC[N@@H+]1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)C[C@H]1C ZINC000611088309 1075827508 /nfs/dbraw/zinc/82/75/08/1075827508.db2.gz OYNGRPBJKOZXHB-AEFFLSMTSA-N 1 0 413.609 1.948 20 0 HDADRO COC(=O)c1cccc([C@@H](C(=O)OC)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000611089211 1075827927 /nfs/dbraw/zinc/82/79/27/1075827927.db2.gz LDNWSCWWSBZNIW-PMACEKPBSA-N 1 0 403.523 1.789 20 0 HDADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCS(=O)(=O)NC(C)C)cc1 ZINC000543602570 1075828406 /nfs/dbraw/zinc/82/84/06/1075828406.db2.gz LZIQGATZQILYFX-QZTJIDSGSA-N 1 0 402.582 1.997 20 0 HDADRO CCC1(CC)[C@H]([NH2+]CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@H](C)[C@@H]1OC ZINC000429287936 1075828721 /nfs/dbraw/zinc/82/87/21/1075828721.db2.gz NOHDMFISKFQSNR-DBVUQKKJSA-N 1 0 410.603 1.475 20 0 HDADRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000551627841 1075833929 /nfs/dbraw/zinc/83/39/29/1075833929.db2.gz KIJGQBHQHNDMNI-FQEVSTJZSA-N 1 0 411.550 2.550 20 0 HDADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000732706597 1075839700 /nfs/dbraw/zinc/83/97/00/1075839700.db2.gz OYFDZMRRLJSGEZ-UHFFFAOYSA-N 1 0 422.501 1.170 20 0 HDADRO CCOC(=O)Cn1cccc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1=O ZINC000611096005 1075840616 /nfs/dbraw/zinc/84/06/16/1075840616.db2.gz FKYVDQJQAYCWGF-UHFFFAOYSA-N 1 0 413.478 1.593 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)Nc3nnc(C4CC4)s3)c2)C1 ZINC000553037131 1075842097 /nfs/dbraw/zinc/84/20/97/1075842097.db2.gz ZPUCQKMQQRAXKM-INIZCTEOSA-N 1 0 414.535 2.435 20 0 HDADRO Cc1nc(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)nn1-c1ccccc1 ZINC000732763771 1075848200 /nfs/dbraw/zinc/84/82/00/1075848200.db2.gz GYUNUQWBCCXSMP-UHFFFAOYSA-N 1 0 406.490 1.797 20 0 HDADRO CCN1C(=S)N=NC1C1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000732764696 1075848215 /nfs/dbraw/zinc/84/82/15/1075848215.db2.gz IJOCMIKXVLRJMY-UHFFFAOYSA-N 1 0 415.567 1.753 20 0 HDADRO CCC1(CC)[C@H]([NH2+]CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](C)[C@H]1OC ZINC000429297703 1075855222 /nfs/dbraw/zinc/85/52/22/1075855222.db2.gz UHDPWBRCJAKOMK-GDIGMMSISA-N 1 0 411.568 1.422 20 0 HDADRO CC[NH+]1CCN(CCCNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1 ZINC000732752722 1075856523 /nfs/dbraw/zinc/85/65/23/1075856523.db2.gz JAGUXUJTXAOQHI-UHFFFAOYSA-N 1 0 411.572 1.925 20 0 HDADRO CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000732754683 1075857230 /nfs/dbraw/zinc/85/72/30/1075857230.db2.gz GQNMCUGULIXGFJ-QRVBRYPASA-N 1 0 405.564 1.446 20 0 HDADRO CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)nn1 ZINC000551743794 1075860012 /nfs/dbraw/zinc/86/00/12/1075860012.db2.gz UKSBDJSRJSQXHQ-HNNXBMFYSA-N 1 0 405.886 2.275 20 0 HDADRO O=C(CC1CCCC1)NC1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000507191453 1075860052 /nfs/dbraw/zinc/86/00/52/1075860052.db2.gz AXEKGRPCVZXPOR-UHFFFAOYSA-N 1 0 424.505 1.893 20 0 HDADRO CCOc1ccc(N2C[C@@H](C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2=O)cc1 ZINC000732781523 1075864667 /nfs/dbraw/zinc/86/46/67/1075864667.db2.gz RMTKEGHYZRWMPA-ROUUACIJSA-N 1 0 414.550 1.723 20 0 HDADRO CS[C@@H]1CN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)C[C@H]1[NH+](C)C ZINC000611165450 1075865587 /nfs/dbraw/zinc/86/55/87/1075865587.db2.gz OWHJBSHTVKEOID-INMHGKMJSA-N 1 0 417.572 1.633 20 0 HDADRO COC(=O)c1cc(S(=O)(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1C ZINC000611167705 1075865984 /nfs/dbraw/zinc/86/59/84/1075865984.db2.gz CVIWZJIIFYZUCP-UHFFFAOYSA-N 1 0 423.579 1.961 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000804217258 1075867272 /nfs/dbraw/zinc/86/72/72/1075867272.db2.gz VUTZCNGWWFZSIR-KRWDZBQOSA-N 1 0 404.511 1.314 20 0 HDADRO Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543609490 1075870287 /nfs/dbraw/zinc/87/02/87/1075870287.db2.gz OOQCFAFZDPBAJY-UHFFFAOYSA-N 1 0 400.527 1.873 20 0 HDADRO CCOc1ncc(C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000732848052 1075885164 /nfs/dbraw/zinc/88/51/64/1075885164.db2.gz WFJRUNKTGKCOHW-HNNXBMFYSA-N 1 0 413.902 1.764 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@H](N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1=O ZINC000611244228 1075885407 /nfs/dbraw/zinc/88/54/07/1075885407.db2.gz LKDHHZDISZDKQR-HOTGVXAUSA-N 1 0 420.535 1.054 20 0 HDADRO CC(C)(C)OC(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000611281011 1075891429 /nfs/dbraw/zinc/89/14/29/1075891429.db2.gz IPKJDOVKRXKLGO-LJQANCHMSA-N 1 0 403.523 1.778 20 0 HDADRO CC(C)(C)OC(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000611293301 1075894633 /nfs/dbraw/zinc/89/46/33/1075894633.db2.gz VVPKMIXTCTYOTQ-LJQANCHMSA-N 1 0 403.523 1.778 20 0 HDADRO CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000611367436 1075914082 /nfs/dbraw/zinc/91/40/82/1075914082.db2.gz BFTYOFHTADLGDT-HXUWFJFHSA-N 1 0 415.538 1.235 20 0 HDADRO COC(=O)c1cc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cn1C ZINC000611359244 1075917269 /nfs/dbraw/zinc/91/72/69/1075917269.db2.gz KPCSICDAMAVUNX-UHFFFAOYSA-N 1 0 412.490 1.793 20 0 HDADRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccccc1OCC(=O)NC ZINC000611380032 1075921659 /nfs/dbraw/zinc/92/16/59/1075921659.db2.gz QHHIPKXZKZFASG-WCQYABFASA-N 1 0 418.416 1.629 20 0 HDADRO COC(=O)c1cc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)ccc1Br ZINC000611380557 1075922192 /nfs/dbraw/zinc/92/21/92/1075922192.db2.gz YYESPODUYSRCOR-UHFFFAOYSA-N 1 0 412.284 1.727 20 0 HDADRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000611442209 1075934945 /nfs/dbraw/zinc/93/49/45/1075934945.db2.gz RRYZLWNRBHGAKL-QRWLVFNGSA-N 1 0 405.499 1.262 20 0 HDADRO O=C(NC1CC1)[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(F)cc1 ZINC000732986979 1075940094 /nfs/dbraw/zinc/94/00/94/1075940094.db2.gz RFHIRUXRAZBKAZ-MRXNPFEDSA-N 1 0 419.469 1.999 20 0 HDADRO CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000611511039 1075948226 /nfs/dbraw/zinc/94/82/26/1075948226.db2.gz YFLMJMSZCXPDSR-QGZVFWFLSA-N 1 0 413.515 1.403 20 0 HDADRO CCOC(=O)c1cnn(-c2ccc(C(=O)NC3(CCO)CC[NH+](C)CC3)cc2)c1C ZINC000611526593 1075952560 /nfs/dbraw/zinc/95/25/60/1075952560.db2.gz NGXJJYZNHYSLSO-UHFFFAOYSA-N 1 0 414.506 1.934 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1N1C(=O)CCC1=O ZINC000733049609 1075955136 /nfs/dbraw/zinc/95/51/36/1075955136.db2.gz VJSSSUHUSNGEPZ-HOTGVXAUSA-N 1 0 414.506 1.966 20 0 HDADRO C[C@H](CNC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)[NH+]1CCCCC1 ZINC000733038794 1075961546 /nfs/dbraw/zinc/96/15/46/1075961546.db2.gz GJPZKJNJIDPWPP-TZIWHRDSSA-N 1 0 413.566 1.994 20 0 HDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000733039975 1075962801 /nfs/dbraw/zinc/96/28/01/1075962801.db2.gz YQVIMCXHBRNXKD-KGLIPLIRSA-N 1 0 410.531 1.670 20 0 HDADRO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000733042352 1075963408 /nfs/dbraw/zinc/96/34/08/1075963408.db2.gz OFKMOQJQQDZNHY-INIZCTEOSA-N 1 0 422.542 1.911 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(CCO)CCN1CCOCC1 ZINC000491424129 1075975093 /nfs/dbraw/zinc/97/50/93/1075975093.db2.gz PHSPPDFPARYYFW-FPOVZHCZSA-N 1 0 404.555 1.233 20 0 HDADRO Cc1cc(Cn2nnc(C(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)c2C)no1 ZINC000506328068 1075975408 /nfs/dbraw/zinc/97/54/08/1075975408.db2.gz SLGOAHQVDDZIGH-UHFFFAOYSA-N 1 0 410.482 1.008 20 0 HDADRO CN(C)S(=O)(=O)c1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000491879955 1075981122 /nfs/dbraw/zinc/98/11/22/1075981122.db2.gz KKSLTTJPWHCUNG-OALUTQOASA-N 1 0 409.552 1.435 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCNc2ncnc3sccc32)CC1=O ZINC000733133090 1075981165 /nfs/dbraw/zinc/98/11/65/1075981165.db2.gz INWWDDMZPZOLME-HUUCEWRRSA-N 1 0 416.551 1.552 20 0 HDADRO Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)ccc12 ZINC000733155296 1075988892 /nfs/dbraw/zinc/98/88/92/1075988892.db2.gz AKQBVIBYIPJELB-IBGZPJMESA-N 1 0 401.507 1.868 20 0 HDADRO COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1C ZINC000733156916 1075989131 /nfs/dbraw/zinc/98/91/31/1075989131.db2.gz KCVKNSPFIBGTTL-KRWDZBQOSA-N 1 0 408.543 1.437 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCc2nc3cc(F)ccc3n2C)CC1=O ZINC000733155143 1075989146 /nfs/dbraw/zinc/98/91/46/1075989146.db2.gz QZKOMMCCIQIFGO-GOEBONIOSA-N 1 0 401.486 1.661 20 0 HDADRO O=C(CCNS(=O)(=O)c1ccccc1F)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733157962 1075990037 /nfs/dbraw/zinc/99/00/37/1075990037.db2.gz BTJKJBCSTWEMCU-INIZCTEOSA-N 1 0 413.515 1.254 20 0 HDADRO CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[NH+]1CCN(C)CC1 ZINC000733157346 1075990165 /nfs/dbraw/zinc/99/01/65/1075990165.db2.gz SPJWXNQIOXNQRY-GJZGRUSLSA-N 1 0 408.465 1.538 20 0 HDADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733158495 1075991400 /nfs/dbraw/zinc/99/14/00/1075991400.db2.gz ODHNDWDYAPCFAG-XAJRUKRBSA-N 1 0 414.485 1.878 20 0 HDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733159027 1075992167 /nfs/dbraw/zinc/99/21/67/1075992167.db2.gz WYEYDSVWYFWRLW-ZDUSSCGKSA-N 1 0 421.972 1.439 20 0 HDADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000733163972 1075996204 /nfs/dbraw/zinc/99/62/04/1075996204.db2.gz IXXPYVIBEBNJJR-JXMROGBWSA-N 1 0 408.568 1.556 20 0 HDADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000733165305 1075998003 /nfs/dbraw/zinc/99/80/03/1075998003.db2.gz BIQSRINMLKIMDM-LJQANCHMSA-N 1 0 411.568 1.343 20 0 HDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000733167789 1075998670 /nfs/dbraw/zinc/99/86/70/1075998670.db2.gz FEUAYPMMKIICBB-FQEVSTJZSA-N 1 0 414.550 1.598 20 0 HDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000733170767 1076000582 /nfs/dbraw/zinc/00/05/82/1076000582.db2.gz RYBJYIPRDNTJRI-JEJOPICUSA-N 1 0 408.568 1.461 20 0 HDADRO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000733170724 1076000930 /nfs/dbraw/zinc/00/09/30/1076000930.db2.gz QWLCBXCGVHZHOD-CQSZACIVSA-N 1 0 401.960 1.747 20 0 HDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000733171539 1076001343 /nfs/dbraw/zinc/00/13/43/1076001343.db2.gz YKJJGNCYKKLIMO-CXAGYDPISA-N 1 0 422.517 1.981 20 0 HDADRO COc1ccc([C@@H](CO)[N@H+](C)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000733195461 1076001911 /nfs/dbraw/zinc/00/19/11/1076001911.db2.gz OBQJGCOKPWPYJM-QGZVFWFLSA-N 1 0 418.494 1.336 20 0 HDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2nnn(Cc3cc(C)on3)c2C)[C@H](C)C1 ZINC000512965647 1076003973 /nfs/dbraw/zinc/00/39/73/1076003973.db2.gz CQKBYHWBVACYQD-RDTXWAMCSA-N 1 0 404.515 1.798 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)C2)no1 ZINC000514030958 1076016869 /nfs/dbraw/zinc/01/68/69/1076016869.db2.gz NCSAPHIKNKTNHN-WMZOPIPTSA-N 1 0 418.542 1.781 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C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]CC(=O)N1CCCc2ccccc21 ZINC001082652031 1076061371 /nfs/dbraw/zinc/06/13/71/1076061371.db2.gz BIWTVLSIAANDHM-FTEWEBJXSA-N 1 0 409.530 1.826 20 0 HDADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC001082652310 1076061826 /nfs/dbraw/zinc/06/18/26/1076061826.db2.gz RVSOGNNRMNFLBK-XVCYEZIBSA-N 1 0 404.532 1.450 20 0 HDADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC001082653642 1076062037 /nfs/dbraw/zinc/06/20/37/1076062037.db2.gz VPAZCSUGBLSCRS-FEZKWAHGSA-N 1 0 409.530 1.431 20 0 HDADRO S=c1n(CN2CC[C@@H]([NH+]3CCCC3)C2)nc(N2CCOCC2)n1C[C@H]1CCCO1 ZINC000727169552 1076068309 /nfs/dbraw/zinc/06/83/09/1076068309.db2.gz JTFOBDHHWGHFPO-QZTJIDSGSA-N 1 0 422.599 1.557 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000727174824 1076069954 /nfs/dbraw/zinc/06/99/54/1076069954.db2.gz FYIQCZVJQLLVRZ-OAHLLOKOSA-N 1 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ZINC000733464914 1076082006 /nfs/dbraw/zinc/08/20/06/1076082006.db2.gz YJHYQCXNXUKDNH-UHFFFAOYSA-N 1 0 414.549 1.542 20 0 HDADRO CCn1nc(C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)ccc1=O ZINC000733497475 1076085064 /nfs/dbraw/zinc/08/50/64/1076085064.db2.gz WEPUVRHPUGHSPW-UHFFFAOYSA-N 1 0 416.503 1.608 20 0 HDADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)C[C@@H](C)O1 ZINC000727231690 1076085899 /nfs/dbraw/zinc/08/58/99/1076085899.db2.gz SEZXGGMUXJXWAM-MBOZVWFJSA-N 1 0 400.523 1.935 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[C@H](CCC(N)=O)C3)cc2)CC1 ZINC000727231552 1076086253 /nfs/dbraw/zinc/08/62/53/1076086253.db2.gz QOMFSVVTIYSJJG-QGZVFWFLSA-N 1 0 415.538 1.271 20 0 HDADRO COc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C(=O)N(C)C)cc1OC ZINC000727232141 1076086808 /nfs/dbraw/zinc/08/68/08/1076086808.db2.gz XYROKCNTULUOOL-CQSZACIVSA-N 1 0 418.494 1.041 20 0 HDADRO CCOC(=O)N1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000727241022 1076088161 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YSKMSOATHKVOTB-GOSISDBHSA-N 1 0 409.494 1.599 20 0 HDADRO Cn1cc(/C=C/C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000727392932 1076111253 /nfs/dbraw/zinc/11/12/53/1076111253.db2.gz VBDUQJURMQINGF-MDZDMXLPSA-N 1 0 410.518 1.468 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc(N3CCOCC3)nc2)c1 ZINC000727401268 1076114452 /nfs/dbraw/zinc/11/44/52/1076114452.db2.gz LUCGQJFIRZBUSP-UHFFFAOYSA-N 1 0 411.506 1.140 20 0 HDADRO Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)COC[C@H]2CCCO2)CC1 ZINC000733591603 1076119200 /nfs/dbraw/zinc/11/92/00/1076119200.db2.gz LLMDQNLAWLMKGR-HXUWFJFHSA-N 1 0 404.507 1.814 20 0 HDADRO C[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CCCO1 ZINC000727438213 1076120646 /nfs/dbraw/zinc/12/06/46/1076120646.db2.gz ZRNCRCRAIHJSFO-ODZYNRFZSA-N 1 0 407.536 1.242 20 0 HDADRO CCOC(=O)N[C@H]1CCCN(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000727480177 1076130397 /nfs/dbraw/zinc/13/03/97/1076130397.db2.gz WOVJDGZCUOQVNJ-SFHVURJKSA-N 1 0 419.526 1.398 20 0 HDADRO CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000733642762 1076136424 /nfs/dbraw/zinc/13/64/24/1076136424.db2.gz UISWJYHMRDMKOG-UHFFFAOYSA-N 1 0 423.558 1.383 20 0 HDADRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000727466389 1076136936 /nfs/dbraw/zinc/13/69/36/1076136936.db2.gz NIYWFNGGAFNKGY-SFHVURJKSA-N 1 0 404.559 1.978 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H](O)c2ccc(F)cc2)c1 ZINC000727480366 1076139546 /nfs/dbraw/zinc/13/95/46/1076139546.db2.gz WUOGAAUCGFOTNT-LJQANCHMSA-N 1 0 402.470 1.650 20 0 HDADRO CC(C)N(CCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)C(=O)OC(C)(C)C ZINC000727486612 1076141650 /nfs/dbraw/zinc/14/16/50/1076141650.db2.gz NGXCDLUZAKGTOZ-QGZVFWFLSA-N 1 0 410.559 1.963 20 0 HDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000733667967 1076148800 /nfs/dbraw/zinc/14/88/00/1076148800.db2.gz AGAWJPNKKLYKFA-SFHVURJKSA-N 1 0 402.495 1.958 20 0 HDADRO CN(Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1)C(=O)C(F)(F)F 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KSMOSEYGCWXHTD-UHFFFAOYSA-N 1 0 402.520 1.991 20 0 HDADRO C[NH+]1CCN(c2cc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)ccn2)CC1 ZINC000730210503 1076484011 /nfs/dbraw/zinc/48/40/11/1076484011.db2.gz QULXOSYRJYQVDG-KRWDZBQOSA-N 1 0 411.481 1.642 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)/C=C\c1ccc(I)o1 ZINC000730227400 1076484636 /nfs/dbraw/zinc/48/46/36/1076484636.db2.gz DLOMNLUIQGFWTM-RNZFLTOJSA-N 1 0 403.264 1.650 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000730228144 1076486339 /nfs/dbraw/zinc/48/63/39/1076486339.db2.gz OYYVHZPKBLHNBR-GOSISDBHSA-N 1 0 402.539 1.787 20 0 HDADRO CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)C1 ZINC000730263589 1076505379 /nfs/dbraw/zinc/50/53/79/1076505379.db2.gz GHRZSNDBPAECRL-CRAIPNDOSA-N 1 0 410.559 1.739 20 0 HDADRO CC(=O)N1CCC(NC(=O)C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000730267624 1076508227 /nfs/dbraw/zinc/50/82/27/1076508227.db2.gz QMGRNYPIYCAOEN-OAHLLOKOSA-N 1 0 410.559 1.739 20 0 HDADRO 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CC(=O)[C@H]1CC(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)=NN1c1ccccc1 ZINC000730559721 1076595117 /nfs/dbraw/zinc/59/51/17/1076595117.db2.gz JQRPSWGQSMNBHB-IFMALSPDSA-N 1 0 411.550 1.839 20 0 HDADRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000730571453 1076606281 /nfs/dbraw/zinc/60/62/81/1076606281.db2.gz RTRSGDKWLIYMLZ-AAEUAGOBSA-N 1 0 412.339 1.238 20 0 HDADRO NS(=O)(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000730571454 1076606337 /nfs/dbraw/zinc/60/63/37/1076606337.db2.gz RTRSGDKWLIYMLZ-DGCLKSJQSA-N 1 0 412.339 1.238 20 0 HDADRO COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000730681195 1076637349 /nfs/dbraw/zinc/63/73/49/1076637349.db2.gz JERXBAMOUBFVPB-INIZCTEOSA-N 1 0 406.483 1.303 20 0 HDADRO COC(=O)NCCCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000730748923 1076646647 /nfs/dbraw/zinc/64/66/47/1076646647.db2.gz BFGRMPYOVHMBJE-GOSISDBHSA-N 1 0 403.527 1.578 20 0 HDADRO COCCN1C(=O)c2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2S1(=O)=O 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CC(C)(C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2)[NH+]1CCCCC1 ZINC001004706514 1073556108 /nfs/dbraw/zinc/55/61/08/1073556108.db2.gz WPOLSARPSKWEOJ-VIVHBNLFSA-N 1 0 401.551 1.922 20 0 HDADRO O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000625192155 1073558994 /nfs/dbraw/zinc/55/89/94/1073558994.db2.gz UODIQSLXRAESOT-LJQANCHMSA-N 1 0 421.563 1.798 20 0 HDADRO O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429104974 1073586051 /nfs/dbraw/zinc/58/60/51/1073586051.db2.gz QBGPTVVCHXXZFT-QGZVFWFLSA-N 1 0 402.495 1.345 20 0 HDADRO CNC(=O)N1CCN(c2nnc(CC(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001299283306 1073590313 /nfs/dbraw/zinc/59/03/13/1073590313.db2.gz ZLHFNMPYRPPLAT-GOSISDBHSA-N 1 0 421.590 1.439 20 0 HDADRO C[C@@H]1CN(c2ccc(NC(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cn2)C[C@@H](C)O1 ZINC000429108064 1073596089 /nfs/dbraw/zinc/59/60/89/1073596089.db2.gz SXJFQTOCSVYJHR-KZNAEPCWSA-N 1 0 403.527 1.881 20 0 HDADRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673660626 1073615709 /nfs/dbraw/zinc/61/57/09/1073615709.db2.gz ASICIXAFSVHVQK-IAGOWNOFSA-N 1 0 401.511 1.281 20 0 HDADRO CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673668859 1073623179 /nfs/dbraw/zinc/62/31/79/1073623179.db2.gz BFRLDPVITNZQCO-UYAOXDASSA-N 1 0 412.534 1.132 20 0 HDADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2noc(-c3cccc(F)c3)n2)cn1 ZINC000673680049 1073634342 /nfs/dbraw/zinc/63/43/42/1073634342.db2.gz ARBSYBTVDXCSDB-UHFFFAOYSA-N 1 0 401.402 1.002 20 0 HDADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)CC2)c1 ZINC000673684794 1073640103 /nfs/dbraw/zinc/64/01/03/1073640103.db2.gz JSABLUSDAHAHKM-NQIIRXRSSA-N 1 0 424.549 1.551 20 0 HDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673707202 1073646861 /nfs/dbraw/zinc/64/68/61/1073646861.db2.gz OUZHJVRQLPYTQR-CYBMUJFWSA-N 1 0 421.489 1.710 20 0 HDADRO 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HDADRO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000673869693 1073833794 /nfs/dbraw/zinc/83/37/94/1073833794.db2.gz SFSABKOIDIVKQC-UHFFFAOYSA-N 1 0 422.555 1.797 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)cn1 ZINC000673869414 1073834512 /nfs/dbraw/zinc/83/45/12/1073834512.db2.gz PYBGBGMUXAKWRR-IBGZPJMESA-N 1 0 420.945 1.981 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cn1 ZINC000673870138 1073835788 /nfs/dbraw/zinc/83/57/88/1073835788.db2.gz IGRGEPOXZJVGRJ-UHFFFAOYSA-N 1 0 413.526 1.669 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)C1 ZINC000673874286 1073841110 /nfs/dbraw/zinc/84/11/10/1073841110.db2.gz GBGSFVHZXAFDFZ-YESZJQIVSA-N 1 0 406.531 1.513 20 0 HDADRO CC[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000543495938 1073841332 /nfs/dbraw/zinc/84/13/32/1073841332.db2.gz JOAOYDBMXNKEGF-OALUTQOASA-N 1 0 409.552 1.208 20 0 HDADRO O=C(NCc1nnnn1-c1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000673879189 1073851420 /nfs/dbraw/zinc/85/14/20/1073851420.db2.gz WQSOQRSHVMLFKS-AZUAARDMSA-N 1 0 421.505 1.345 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3cccn3C)CC2)CC1 ZINC000673882730 1073853750 /nfs/dbraw/zinc/85/37/50/1073853750.db2.gz PTOSAOUTIBPQMR-UHFFFAOYSA-N 1 0 405.543 1.382 20 0 HDADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000673883554 1073854593 /nfs/dbraw/zinc/85/45/93/1073854593.db2.gz KWQHPRXGQXQGKE-NRFANRHFSA-N 1 0 414.550 1.992 20 0 HDADRO COc1ccc([C@@H]2CCCN2C(=O)CN2CC[NH+](C(C)(C)CO)CC2)c(OC)c1 ZINC000673896804 1073866405 /nfs/dbraw/zinc/86/64/05/1073866405.db2.gz YYJOBXITPYFBFF-IBGZPJMESA-N 1 0 405.539 1.756 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)C2=O)c1 ZINC000673913722 1073879914 /nfs/dbraw/zinc/87/99/14/1073879914.db2.gz RZJZBUBZLKPAJD-BEFAXECRSA-N 1 0 402.495 1.593 20 0 HDADRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1S(N)(=O)=O 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/nfs/dbraw/zinc/94/93/70/1073949370.db2.gz KDMYVETYDAABNX-HDICACEKSA-N 1 0 416.570 1.976 20 0 HDADRO CCc1cc(N2CCC(NC(=O)NCC(C)(C)N3CC[NH+](C)CC3)CC2)ncn1 ZINC000673971509 1073956652 /nfs/dbraw/zinc/95/66/52/1073956652.db2.gz QIDIUKOBFFYJHN-UHFFFAOYSA-N 1 0 403.575 1.333 20 0 HDADRO CC(C)[NH+]1CCN(C2CCN(C(=O)NC3CCN(c4cccnn4)CC3)CC2)CC1 ZINC000429178685 1073964350 /nfs/dbraw/zinc/96/43/50/1073964350.db2.gz UUQXXDYJXZWPTG-UHFFFAOYSA-N 1 0 415.586 1.645 20 0 HDADRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000030921319 1073977763 /nfs/dbraw/zinc/97/77/63/1073977763.db2.gz GYJIDULLVQAZDL-HLIPFELVSA-N 1 0 401.507 1.475 20 0 HDADRO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000030921597 1073977864 /nfs/dbraw/zinc/97/78/64/1073977864.db2.gz ZNGXINFIQHCMFZ-ROUUACIJSA-N 1 0 423.579 1.896 20 0 HDADRO CCc1cc(N2CCC(NC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)CC2)ncn1 ZINC000673985140 1074002060 /nfs/dbraw/zinc/00/20/60/1074002060.db2.gz FCJLVMYVHWLKFJ-HXUWFJFHSA-N 1 0 415.586 1.429 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000429191004 1074028214 /nfs/dbraw/zinc/02/82/14/1074028214.db2.gz GCNWAEJWZSJAJM-QGZVFWFLSA-N 1 0 411.572 1.125 20 0 HDADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000543534239 1074033703 /nfs/dbraw/zinc/03/37/03/1074033703.db2.gz SDFQGNJKYACMST-UHFFFAOYSA-N 1 0 416.522 1.540 20 0 HDADRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)([NH+](C)C)C1 ZINC000543535378 1074041488 /nfs/dbraw/zinc/04/14/88/1074041488.db2.gz XUXMRTDVIOLLQA-KSFYIVLOSA-N 1 0 415.538 1.777 20 0 HDADRO O=S(=O)(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc2c1OCO2 ZINC000509195856 1074044811 /nfs/dbraw/zinc/04/48/11/1074044811.db2.gz LPBAOVSQQPIZHO-SJORKVTESA-N 1 0 404.488 1.577 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)Nc3scnc3C3CC3)CC2)CC1 ZINC000543537764 1074047929 /nfs/dbraw/zinc/04/79/29/1074047929.db2.gz VJIVBODIDGOMAO-UHFFFAOYSA-N 1 0 405.568 1.835 20 0 HDADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466593565 1074053404 /nfs/dbraw/zinc/05/34/04/1074053404.db2.gz QYTKYGAMFNMIQR-QGZVFWFLSA-N 1 0 405.930 1.971 20 0 HDADRO C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000466598531 1074061661 /nfs/dbraw/zinc/06/16/61/1074061661.db2.gz RONWYKYALJGILM-HMXCVIKNSA-N 1 0 414.550 1.896 20 0 HDADRO COCc1nc2n(n1)C[C@@H](NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000466600870 1074062600 /nfs/dbraw/zinc/06/26/00/1074062600.db2.gz YIKVXOXXEMRXCR-AEFFLSMTSA-N 1 0 400.527 1.949 20 0 HDADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)C1 ZINC000543554310 1074076831 /nfs/dbraw/zinc/07/68/31/1074076831.db2.gz AMHKOMRHPHSBLQ-INIZCTEOSA-N 1 0 401.511 1.341 20 0 HDADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000543559473 1074090875 /nfs/dbraw/zinc/09/08/75/1074090875.db2.gz SXIMTWBCLLJDIF-CVEARBPZSA-N 1 0 408.524 1.055 20 0 HDADRO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000766054360 1074092907 /nfs/dbraw/zinc/09/29/07/1074092907.db2.gz USXMCNBPPWZRNE-SGANQWHYSA-N 1 0 402.582 1.905 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)Nc3cnn(CC[NH+](C)C)c3)C2)c1 ZINC000674026046 1074093310 /nfs/dbraw/zinc/09/33/10/1074093310.db2.gz UDGKWNXNABNDOK-HNNXBMFYSA-N 1 0 402.499 1.862 20 0 HDADRO Cc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1S(=O)(=O)N(C)C ZINC000429208208 1074115207 /nfs/dbraw/zinc/11/52/07/1074115207.db2.gz KJKBOYAIRQNBOQ-MRXNPFEDSA-N 1 0 410.540 1.431 20 0 HDADRO O=C(NC1CCN(c2cccnn2)CC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000429207282 1074117325 /nfs/dbraw/zinc/11/73/25/1074117325.db2.gz WYOWUNJPNNFGAN-CTNGQTDRSA-N 1 0 424.549 1.628 20 0 HDADRO Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543562346 1074118766 /nfs/dbraw/zinc/11/87/66/1074118766.db2.gz TUSIATIMOGMMPW-UHFFFAOYSA-N 1 0 412.542 1.852 20 0 HDADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2cccc(Cn3cccn3)c2)CC1 ZINC000674042217 1074119659 /nfs/dbraw/zinc/11/96/59/1074119659.db2.gz PGVDNDBEPMHYLJ-UHFFFAOYSA-N 1 0 413.522 1.829 20 0 HDADRO COCCn1ncc2ccc(NC(=O)C(=O)NC[C@@]3([NH+](C)C)CCSC3)cc21 ZINC000674040685 1074122635 /nfs/dbraw/zinc/12/26/35/1074122635.db2.gz USUVTNGLMVNFSI-IBGZPJMESA-N 1 0 405.524 1.175 20 0 HDADRO CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000229457778 1074125715 /nfs/dbraw/zinc/12/57/15/1074125715.db2.gz IMILTQYTPSTJHG-SJLPKXTDSA-N 1 0 422.551 1.137 20 0 HDADRO O=C(NCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1cnccn1 ZINC000509209362 1074132101 /nfs/dbraw/zinc/13/21/01/1074132101.db2.gz GROCYKHCHMRFLU-MRXNPFEDSA-N 1 0 403.433 1.480 20 0 HDADRO CCN1CCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1=O ZINC000543572467 1074135351 /nfs/dbraw/zinc/13/53/51/1074135351.db2.gz WTCMNYZRMMVQDH-UHFFFAOYSA-N 1 0 400.523 1.590 20 0 HDADRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674048858 1074141212 /nfs/dbraw/zinc/14/12/12/1074141212.db2.gz FYMFNYJXLJJADC-QWQRMKEZSA-N 1 0 405.524 1.515 20 0 HDADRO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229625216 1074147072 /nfs/dbraw/zinc/14/70/72/1074147072.db2.gz PSYGYUQEUDETAK-MOPGFXCFSA-N 1 0 417.554 1.214 20 0 HDADRO CC[NH+](CC)CCN(C(=O)c1ccc(-c2ncn(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000509216653 1074155480 /nfs/dbraw/zinc/15/54/80/1074155480.db2.gz FRZMLLYICIHDJO-GOSISDBHSA-N 1 0 419.551 1.453 20 0 HDADRO CC[N@H+](CCO)CCNC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000470593303 1074159300 /nfs/dbraw/zinc/15/93/00/1074159300.db2.gz XMGQIMSJEUOHNI-UHFFFAOYSA-N 1 0 411.930 1.631 20 0 HDADRO O=C(Cn1cc(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)cn1)NC1CCCC1 ZINC001168752391 1074160530 /nfs/dbraw/zinc/16/05/30/1074160530.db2.gz IASGPBFFHRIVCC-HXUWFJFHSA-N 1 0 413.497 1.738 20 0 HDADRO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000674062476 1074176396 /nfs/dbraw/zinc/17/63/96/1074176396.db2.gz UICTZXXHAQRABU-UHFFFAOYSA-N 1 0 410.522 1.823 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccn(-c2c(F)cccc2F)n1 ZINC000674093542 1074181371 /nfs/dbraw/zinc/18/13/71/1074181371.db2.gz CUWZVBQSOBLTBC-OAHLLOKOSA-N 1 0 405.449 1.287 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1c(F)cccc1Br ZINC000674094649 1074181644 /nfs/dbraw/zinc/18/16/44/1074181644.db2.gz QPWAZJRGKOLSLN-ZDUSSCGKSA-N 1 0 400.292 1.725 20 0 HDADRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1N)[N@@H+]1CCc2ccccc2C1 ZINC000670466291 1074184986 /nfs/dbraw/zinc/18/49/86/1074184986.db2.gz JQDOMFHOIWKCPK-HNNXBMFYSA-N 1 0 402.520 1.110 20 0 HDADRO Cc1cc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2)nc(C)n1 ZINC000674159966 1074195608 /nfs/dbraw/zinc/19/56/08/1074195608.db2.gz UFFSIBJGFPTCSF-IBGZPJMESA-N 1 0 415.586 1.530 20 0 HDADRO CC[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1nnc2n1CCCCC2 ZINC000674162259 1074198109 /nfs/dbraw/zinc/19/81/09/1074198109.db2.gz ZYFBHOWTFRNAHR-ROUUACIJSA-N 1 0 419.574 1.161 20 0 HDADRO Cn1c2sc(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2c(=O)n(C)c1=O ZINC001128637019 1074199090 /nfs/dbraw/zinc/19/90/90/1074199090.db2.gz PAOUOTBGFGVPBA-OAHLLOKOSA-N 1 0 412.515 1.551 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccccc3CS(C)(=O)=O)CC2)C1 ZINC000674180912 1074199647 /nfs/dbraw/zinc/19/96/47/1074199647.db2.gz JQJIDRDVYKIPBZ-IBGZPJMESA-N 1 0 408.568 1.153 20 0 HDADRO CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000674193381 1074207973 /nfs/dbraw/zinc/20/79/73/1074207973.db2.gz XYKPSFIVHKTXQL-GOSISDBHSA-N 1 0 422.551 1.767 20 0 HDADRO O=C(CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429223157 1074214058 /nfs/dbraw/zinc/21/40/58/1074214058.db2.gz QILWSJXNMFSLAP-BBRMVZONSA-N 1 0 412.494 1.858 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)C1 ZINC001545674873 1074223037 /nfs/dbraw/zinc/22/30/37/1074223037.db2.gz MSOMTOCUSKDAPV-MRXNPFEDSA-N 1 0 410.526 1.183 20 0 HDADRO O=C(Nc1cnc(C2CC2)nc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000674217715 1074229865 /nfs/dbraw/zinc/22/98/65/1074229865.db2.gz HEOQPSSEGRVVEW-HKUYNNGSSA-N 1 0 409.490 1.292 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)C1 ZINC000674299635 1074263760 /nfs/dbraw/zinc/26/37/60/1074263760.db2.gz RORBQLQILHIWPI-RBUKOAKNSA-N 1 0 419.957 1.867 20 0 HDADRO COC1CC[NH+](CCNC(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)CC1 ZINC000674316541 1074265914 /nfs/dbraw/zinc/26/59/14/1074265914.db2.gz JPJHGGBSUZDEKI-UHFFFAOYSA-N 1 0 410.540 1.607 20 0 HDADRO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCC(OC)CC2)c(C(F)(F)F)c1 ZINC000674321572 1074271839 /nfs/dbraw/zinc/27/18/39/1074271839.db2.gz XBGUNBHBLGMWOP-UHFFFAOYSA-N 1 0 403.401 1.880 20 0 HDADRO COC1CC[NH+](CCNC(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)CC1 ZINC000674324554 1074274223 /nfs/dbraw/zinc/27/42/23/1074274223.db2.gz QHCNFSOQRIGXCW-IBGZPJMESA-N 1 0 408.518 1.877 20 0 HDADRO COC1CC[NH+](CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000674324707 1074274344 /nfs/dbraw/zinc/27/43/44/1074274344.db2.gz QEITVUGUVJEPRC-QGZVFWFLSA-N 1 0 422.913 1.772 20 0 HDADRO COC1CC[NH+](CCNC(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC1 ZINC000674317409 1074279550 /nfs/dbraw/zinc/27/95/50/1074279550.db2.gz QZQMBLDLLSPEPY-UHFFFAOYSA-N 1 0 403.462 1.911 20 0 HDADRO Cc1cc(NC(=O)N[C@@H]2CCCc3c2cnn3CCO)n(C2CC[NH+](C)CC2)n1 ZINC000674318911 1074279848 /nfs/dbraw/zinc/27/98/48/1074279848.db2.gz KBSANTAILMWCHI-QGZVFWFLSA-N 1 0 401.515 1.846 20 0 HDADRO CCn1cnnc1-c1cccc(NC(=O)C(=O)NCC[NH+]2CCC(OC)CC2)c1 ZINC000674320808 1074283016 /nfs/dbraw/zinc/28/30/16/1074283016.db2.gz LBHROBFDARJGCF-UHFFFAOYSA-N 1 0 400.483 1.131 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000674346048 1074288450 /nfs/dbraw/zinc/28/84/50/1074288450.db2.gz HAVVPSFEFSYOGA-MRXNPFEDSA-N 1 0 415.581 1.624 20 0 HDADRO O=C(C[NH2+][C@@H]1Cc2cccc(O)c2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000429227105 1074291726 /nfs/dbraw/zinc/29/17/26/1074291726.db2.gz 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20 0 HDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCCc3ccc4c(c3)OCCO4)C2)CC1 ZINC000675190059 1074752029 /nfs/dbraw/zinc/75/20/29/1074752029.db2.gz HEPUWKHZTDVLPR-SFHVURJKSA-N 1 0 402.539 1.858 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000675193327 1074753288 /nfs/dbraw/zinc/75/32/88/1074753288.db2.gz BSSYCLUIDYANKJ-DLBZAZTESA-N 1 0 408.547 1.869 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC000477037984 1074753684 /nfs/dbraw/zinc/75/36/84/1074753684.db2.gz YOJCJJHSRYFDRT-ICSRJNTNSA-N 1 0 404.555 1.331 20 0 HDADRO CC(C)(C)N1C[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1=O ZINC000429322280 1074754319 /nfs/dbraw/zinc/75/43/19/1074754319.db2.gz JSRFNCXWXIIIHJ-GUDVDZBRSA-N 1 0 402.539 1.568 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000675199823 1074755949 /nfs/dbraw/zinc/75/59/49/1074755949.db2.gz NUWVOMFZFDNXHL-KRWDZBQOSA-N 1 0 424.567 1.586 20 0 HDADRO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429323448 1074757889 /nfs/dbraw/zinc/75/78/89/1074757889.db2.gz WIJKIHADPXAKLO-OXJNMPFZSA-N 1 0 407.470 1.831 20 0 HDADRO O=C(NCCc1cccc(C(F)(F)F)n1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000577010029 1074772730 /nfs/dbraw/zinc/77/27/30/1074772730.db2.gz GMPOYMFTZODMGX-UHFFFAOYSA-N 1 0 404.352 1.979 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cc(Br)ccc1OC ZINC000477066327 1074775710 /nfs/dbraw/zinc/77/57/10/1074775710.db2.gz MCKUHVFNUPTLJS-LBPRGKRZSA-N 1 0 400.317 1.920 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000477074017 1074779713 /nfs/dbraw/zinc/77/97/13/1074779713.db2.gz WPGILZCBLLRAKG-HNNXBMFYSA-N 1 0 401.511 1.752 20 0 HDADRO CCC(CC)NS(=O)(=O)c1ccc(NC[C@@H](C)C[NH+]2CCN(CC)CC2)nc1 ZINC000443452488 1074782805 /nfs/dbraw/zinc/78/28/05/1074782805.db2.gz ZAISQLFTBNLQTA-QGZVFWFLSA-N 1 0 411.616 2.234 20 0 HDADRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446769687 1074784527 /nfs/dbraw/zinc/78/45/27/1074784527.db2.gz NLKMGEDYFGTYTG-HNNXBMFYSA-N 1 0 409.412 2.165 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675295057 1074789626 /nfs/dbraw/zinc/78/96/26/1074789626.db2.gz JAQGBKHHPYDBSM-CJNGLKHVSA-N 1 0 408.449 1.177 20 0 HDADRO C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000675294368 1074789980 /nfs/dbraw/zinc/78/99/80/1074789980.db2.gz FWJMFBKTKYLLHC-LRDDRELGSA-N 1 0 408.449 1.033 20 0 HDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000675296231 1074790261 /nfs/dbraw/zinc/79/02/61/1074790261.db2.gz AQHCWRUHBFWKSN-XJKSGUPXSA-N 1 0 408.449 1.175 20 0 HDADRO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000675317759 1074797764 /nfs/dbraw/zinc/79/77/64/1074797764.db2.gz BAFHFANKJPBFAB-IIDMSEBBSA-N 1 0 420.941 1.798 20 0 HDADRO C[C@]1(c2ccccc2)CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC000675310304 1074800464 /nfs/dbraw/zinc/80/04/64/1074800464.db2.gz TZELIWYAMDAKBI-RBBKRZOGSA-N 1 0 402.539 1.350 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000477105525 1074802708 /nfs/dbraw/zinc/80/27/08/1074802708.db2.gz FJISDEUPGBZBBP-GOSISDBHSA-N 1 0 402.539 1.516 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000477104572 1074802875 /nfs/dbraw/zinc/80/28/75/1074802875.db2.gz ZPJDFAMMTHYLBT-HUUCEWRRSA-N 1 0 403.527 1.994 20 0 HDADRO CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)[C@@H]1OC ZINC000427298410 1074804232 /nfs/dbraw/zinc/80/42/32/1074804232.db2.gz CFUZJSDVYJOBEJ-OLMNPRSZSA-N 1 0 405.543 2.044 20 0 HDADRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444564914 1074807786 /nfs/dbraw/zinc/80/77/86/1074807786.db2.gz ARNHVDPARBLMTK-UHFFFAOYSA-N 1 0 421.448 1.878 20 0 HDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)Nc1ccn(Cc2ccncc2)n1 ZINC000579028396 1074815513 /nfs/dbraw/zinc/81/55/13/1074815513.db2.gz HEFORKUTTLRMKF-FQEVSTJZSA-N 1 0 406.490 2.215 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000670503223 1074817640 /nfs/dbraw/zinc/81/76/40/1074817640.db2.gz VONMHMPTKSCDJK-QGZVFWFLSA-N 1 0 403.527 1.058 20 0 HDADRO COc1ccccc1CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000670503365 1074817662 /nfs/dbraw/zinc/81/76/62/1074817662.db2.gz MXMJQWFDNLLJRW-OAQYLSRUSA-N 1 0 424.545 1.759 20 0 HDADRO CC(C)[NH+](CCNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)C(C)C ZINC000670503922 1074819717 /nfs/dbraw/zinc/81/97/17/1074819717.db2.gz IIQGMPXHBJXJOH-UHFFFAOYSA-N 1 0 424.567 1.078 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1 ZINC000670503581 1074821596 /nfs/dbraw/zinc/82/15/96/1074821596.db2.gz WNVKMHHCCACROS-OALUTQOASA-N 1 0 400.523 1.313 20 0 HDADRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000429248037 1075094070 /nfs/dbraw/zinc/09/40/70/1075094070.db2.gz LPUSGXPCNONLGK-UHFFFAOYSA-N 1 0 407.540 1.752 20 0 HDADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000670511150 1075094872 /nfs/dbraw/zinc/09/48/72/1075094872.db2.gz QKPIJYLUAUFPGK-GASCZTMLSA-N 1 0 415.456 1.980 20 0 HDADRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)CC1 ZINC000446782949 1075096990 /nfs/dbraw/zinc/09/69/90/1075096990.db2.gz HGFWSWRLBJTHRM-UHFFFAOYSA-N 1 0 402.474 2.034 20 0 HDADRO COCC[NH+]1CCC(NC(=O)C(=O)NCCc2c(Cl)cccc2Cl)CC1 ZINC000477674640 1075104359 /nfs/dbraw/zinc/10/43/59/1075104359.db2.gz DSKKVESEYNMDIE-UHFFFAOYSA-N 1 0 402.322 1.879 20 0 HDADRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000509329148 1075104400 /nfs/dbraw/zinc/10/44/00/1075104400.db2.gz XFFCSJPPYLSKMR-KRWDZBQOSA-N 1 0 424.567 1.779 20 0 HDADRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1(CC)CC ZINC000429338593 1075104666 /nfs/dbraw/zinc/10/46/66/1075104666.db2.gz NISMAFGWMBVNHQ-MSOLQXFVSA-N 1 0 410.603 1.619 20 0 HDADRO CCO[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1(CC)CC ZINC000429338595 1075104870 /nfs/dbraw/zinc/10/48/70/1075104870.db2.gz NISMAFGWMBVNHQ-ROUUACIJSA-N 1 0 410.603 1.619 20 0 HDADRO Cc1cc(NC(=O)CN2CCN(C(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)CC2)no1 ZINC000448469789 1075110240 /nfs/dbraw/zinc/11/02/40/1075110240.db2.gz ZMBWIEJXTCZUJG-SFHVURJKSA-N 1 0 420.558 1.617 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000509328652 1075113288 /nfs/dbraw/zinc/11/32/88/1075113288.db2.gz STHUGOSQZWJRHH-QZTJIDSGSA-N 1 0 411.591 1.070 20 0 HDADRO CCCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000441177466 1075115715 /nfs/dbraw/zinc/11/57/15/1075115715.db2.gz VHMYYIBAGQSVPG-QZTJIDSGSA-N 1 0 419.570 2.360 20 0 HDADRO COC1CC[NH+](C2(CNC(=O)C(=O)Nc3ccc(OC(C)C)nn3)CCCC2)CC1 ZINC000551495382 1075124563 /nfs/dbraw/zinc/12/45/63/1075124563.db2.gz XQYDNIUNJUNDQA-UHFFFAOYSA-N 1 0 419.526 1.742 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3O[C@@H]3CCOC3)CC2)C1 ZINC000675401500 1075127093 /nfs/dbraw/zinc/12/70/93/1075127093.db2.gz AQWPSBCEEPYWSR-ZWKOTPCHSA-N 1 0 416.522 1.031 20 0 HDADRO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC000675405293 1075129198 /nfs/dbraw/zinc/12/91/98/1075129198.db2.gz YYCMOZZWKGWBCX-MJGOQNOKSA-N 1 0 413.522 1.784 20 0 HDADRO COc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)C[C@H](O)CN2CCOCC2)c1 ZINC000766122261 1075132655 /nfs/dbraw/zinc/13/26/55/1075132655.db2.gz SLOZELQLFBIELP-GGAORHGYSA-N 1 0 400.519 1.924 20 0 HDADRO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000675412976 1075137450 /nfs/dbraw/zinc/13/74/50/1075137450.db2.gz ZQIBKITWSLRGLY-MSOLQXFVSA-N 1 0 418.538 1.183 20 0 HDADRO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC000543626975 1075140945 /nfs/dbraw/zinc/14/09/45/1075140945.db2.gz ORTQEQWSRKSQRJ-MRXNPFEDSA-N 1 0 402.582 1.889 20 0 HDADRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000675433594 1075144063 /nfs/dbraw/zinc/14/40/63/1075144063.db2.gz YZTSKXBQPSIWKM-INIZCTEOSA-N 1 0 410.877 1.255 20 0 HDADRO COCCCn1ccc(NC(=O)C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1 ZINC000444519617 1075145754 /nfs/dbraw/zinc/14/57/54/1075145754.db2.gz OQRXMLPMMVHHCU-GOSISDBHSA-N 1 0 413.522 1.981 20 0 HDADRO O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000670526904 1075149311 /nfs/dbraw/zinc/14/93/11/1075149311.db2.gz JRQMONLVHKOEIM-GOSISDBHSA-N 1 0 406.571 1.271 20 0 HDADRO CCC[C@@H]1CN(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000537259215 1075154193 /nfs/dbraw/zinc/15/41/93/1075154193.db2.gz UWAQHKBYELZPQY-GOSISDBHSA-N 1 0 413.526 1.885 20 0 HDADRO O=C(Nc1ccn(-c2ccccc2)n1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467830022 1075155182 /nfs/dbraw/zinc/15/51/82/1075155182.db2.gz YDTFTIHGRGPEQQ-UHFFFAOYSA-N 1 0 411.506 1.914 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000442069574 1075163587 /nfs/dbraw/zinc/16/35/87/1075163587.db2.gz HXHCQXLRQHAMGS-LJQANCHMSA-N 1 0 405.458 2.066 20 0 HDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c2ccccc2O1 ZINC000675469075 1075163648 /nfs/dbraw/zinc/16/36/48/1075163648.db2.gz CPYYAXAJDSCDRI-HNNXBMFYSA-N 1 0 401.488 1.490 20 0 HDADRO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)Nc2cc(C3CC3)n(C)n2)CC1 ZINC000565572799 1075164687 /nfs/dbraw/zinc/16/46/87/1075164687.db2.gz WZGDLHFYHIPWKJ-UHFFFAOYSA-N 1 0 405.543 1.833 20 0 HDADRO C[C@@H]([NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)c1cnn(C)c1 ZINC000766143672 1075169651 /nfs/dbraw/zinc/16/96/51/1075169651.db2.gz BBTRGUAVAWRXCY-QWHCGFSZSA-N 1 0 400.526 1.558 20 0 HDADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1C ZINC000429352651 1075171380 /nfs/dbraw/zinc/17/13/80/1075171380.db2.gz IEFUUWBPTCLHPL-AWEZNQCLSA-N 1 0 408.568 1.696 20 0 HDADRO CN1CC[N@H+](CCCNC(=O)N2CCC(S(C)(=O)=O)CC2)[C@H](c2ccccc2)C1 ZINC000675480667 1075171442 /nfs/dbraw/zinc/17/14/42/1075171442.db2.gz SMYVKPDTTMWYDP-FQEVSTJZSA-N 1 0 422.595 1.584 20 0 HDADRO CCNC(=O)N1CC[C@@H](NC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)C1 ZINC000675482100 1075171795 /nfs/dbraw/zinc/17/17/95/1075171795.db2.gz CGHGYMKQIUFCBU-MRXNPFEDSA-N 1 0 411.510 1.097 20 0 HDADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cc1 ZINC000675490253 1075175021 /nfs/dbraw/zinc/17/50/21/1075175021.db2.gz PYZFGCYGJXXTEX-MRXNPFEDSA-N 1 0 403.504 1.906 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)c2ccccc2O1 ZINC000675491459 1075175595 /nfs/dbraw/zinc/17/55/95/1075175595.db2.gz NBUYSWSRRWPYLJ-GOSISDBHSA-N 1 0 417.531 1.748 20 0 HDADRO C[C@@H](C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21)N1C(=O)NC2(CCCC2)C1=O ZINC000675491932 1075176082 /nfs/dbraw/zinc/17/60/82/1075176082.db2.gz VYSLHFKJKMAQBM-GJZGRUSLSA-N 1 0 400.479 1.595 20 0 HDADRO COCC[NH2+]CCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000442162461 1075176110 /nfs/dbraw/zinc/17/61/10/1075176110.db2.gz AFNHKNOWBQTGGT-UHFFFAOYSA-N 1 0 414.293 1.860 20 0 HDADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC1 ZINC000675499441 1075180133 /nfs/dbraw/zinc/18/01/33/1075180133.db2.gz DKWLUSPWTCKOLF-UHFFFAOYSA-N 1 0 408.520 1.943 20 0 HDADRO CS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000675517084 1075181874 /nfs/dbraw/zinc/18/18/74/1075181874.db2.gz JDFLJTSNNZBLKJ-UHFFFAOYSA-N 1 0 407.536 1.299 20 0 HDADRO Cc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1S(=O)(=O)NC1CC1 ZINC000543632803 1075183893 /nfs/dbraw/zinc/18/38/93/1075183893.db2.gz HNASIZKGCUMBIG-SFHVURJKSA-N 1 0 424.567 1.650 20 0 HDADRO O=C(Nc1ccn(CCN2CCOCC2)n1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448361197 1075187703 /nfs/dbraw/zinc/18/77/03/1075187703.db2.gz FZXOJKCGLSQMIL-PKOBYXMFSA-N 1 0 402.543 1.696 20 0 HDADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCN(C)S(C)(=O)=O ZINC000675530684 1075192543 /nfs/dbraw/zinc/19/25/43/1075192543.db2.gz KUERJEGFBHQJJQ-DZFIZOCASA-N 1 0 410.584 1.724 20 0 HDADRO CS(=O)(=O)c1ccc(OCCCC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000675537118 1075194297 /nfs/dbraw/zinc/19/42/97/1075194297.db2.gz VFJAYTREBBDBHI-QGZVFWFLSA-N 1 0 410.536 1.619 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000675537468 1075194517 /nfs/dbraw/zinc/19/45/17/1075194517.db2.gz AWNVHDQUDGUSIO-YJBOKZPZSA-N 1 0 415.490 1.180 20 0 HDADRO CCOc1ccccc1N1C[C@H](C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000675536889 1075194565 /nfs/dbraw/zinc/19/45/65/1075194565.db2.gz NROZRFLGEIAPTM-AEFFLSMTSA-N 1 0 401.507 1.808 20 0 HDADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000466684765 1075195423 /nfs/dbraw/zinc/19/54/23/1075195423.db2.gz UPYVGAFUBPWEOO-HNAYVOBHSA-N 1 0 419.489 1.688 20 0 HDADRO COc1ccc(CN2C[C@@H](C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC2=O)cc1 ZINC000675538709 1075195914 /nfs/dbraw/zinc/19/59/14/1075195914.db2.gz MCACZQRSVDMKGM-PKOBYXMFSA-N 1 0 401.507 1.413 20 0 HDADRO CC[NH+](CC)CCOC1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000446727559 1075200025 /nfs/dbraw/zinc/20/00/25/1075200025.db2.gz WHYUQFIDFQFBQQ-UHFFFAOYSA-N 1 0 419.448 1.733 20 0 HDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCC(=O)NC1CCCC1 ZINC000675561014 1075203682 /nfs/dbraw/zinc/20/36/82/1075203682.db2.gz SENPQJRNZHNRDE-UHFFFAOYSA-N 1 0 424.567 1.014 20 0 HDADRO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)no1 ZINC000475453844 1075205828 /nfs/dbraw/zinc/20/58/28/1075205828.db2.gz SKYZGAHAMWZLIL-HZPDHXFCSA-N 1 0 410.540 1.757 20 0 HDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000675574456 1075209180 /nfs/dbraw/zinc/20/91/80/1075209180.db2.gz SVLAMHBUJKIXAA-DLBZAZTESA-N 1 0 411.568 1.770 20 0 HDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000675574459 1075209195 /nfs/dbraw/zinc/20/91/95/1075209195.db2.gz SVLAMHBUJKIXAA-IAGOWNOFSA-N 1 0 411.568 1.770 20 0 HDADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(OC)nn1)c1cccc(OC)c1 ZINC000556507144 1075209262 /nfs/dbraw/zinc/20/92/62/1075209262.db2.gz RKFKILHZAUJKHZ-INIZCTEOSA-N 1 0 401.467 1.632 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1 ZINC000675576131 1075209968 /nfs/dbraw/zinc/20/99/68/1075209968.db2.gz GJBKSFMMGDBTQG-POAQFYNOSA-N 1 0 410.522 1.830 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1 ZINC000675576132 1075210031 /nfs/dbraw/zinc/21/00/31/1075210031.db2.gz GJBKSFMMGDBTQG-YVWKXTFCSA-N 1 0 410.522 1.830 20 0 HDADRO CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cn1 ZINC000427123436 1075210957 /nfs/dbraw/zinc/21/09/57/1075210957.db2.gz JKXRDVMMBGGFPV-UHFFFAOYSA-N 1 0 413.526 1.646 20 0 HDADRO COCCn1ccc(NC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)n1 ZINC000580364484 1075212229 /nfs/dbraw/zinc/21/22/29/1075212229.db2.gz RFAXXYVXOMDBAR-UHFFFAOYSA-N 1 0 416.526 1.824 20 0 HDADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675582080 1075212641 /nfs/dbraw/zinc/21/26/41/1075212641.db2.gz SMDPWMVEEZGVKC-NFBKMPQASA-N 1 0 414.550 1.714 20 0 HDADRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)[NH+](C)C)cc1 ZINC000675584745 1075214528 /nfs/dbraw/zinc/21/45/28/1075214528.db2.gz KXGAKKGCSKJLEE-PMACEKPBSA-N 1 0 413.522 1.982 20 0 HDADRO O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000675586437 1075214870 /nfs/dbraw/zinc/21/48/70/1075214870.db2.gz RDLPSCXLICZUGS-VQTJNVASSA-N 1 0 411.506 1.954 20 0 HDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000466687690 1075215929 /nfs/dbraw/zinc/21/59/29/1075215929.db2.gz ZLINDWYFTNHAMU-HZPDHXFCSA-N 1 0 423.535 1.164 20 0 HDADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000438755328 1075219241 /nfs/dbraw/zinc/21/92/41/1075219241.db2.gz MUWRVSMIRQEFAX-QGZVFWFLSA-N 1 0 413.522 2.152 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccccc2OC[C@H]2CCCCO2)cn1 ZINC000675608712 1075220814 /nfs/dbraw/zinc/22/08/14/1075220814.db2.gz STEKJXLWQXCZAK-QGZVFWFLSA-N 1 0 415.494 1.970 20 0 HDADRO CCN(CC)C(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000675607357 1075222962 /nfs/dbraw/zinc/22/29/62/1075222962.db2.gz HDIIHNAIZRCHMM-UHFFFAOYSA-N 1 0 400.483 1.504 20 0 HDADRO CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000675607433 1075223320 /nfs/dbraw/zinc/22/33/20/1075223320.db2.gz DPNIMQZEUHYLPV-UHFFFAOYSA-N 1 0 414.510 1.940 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cn1 ZINC000675607306 1075223636 /nfs/dbraw/zinc/22/36/36/1075223636.db2.gz FRDARNNKGPGNSU-UHFFFAOYSA-N 1 0 402.430 1.288 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc(CN3CCCCC3=O)c2)cn1 ZINC000675608052 1075224464 /nfs/dbraw/zinc/22/44/64/1075224464.db2.gz QHXIRZKAVNSXQF-UHFFFAOYSA-N 1 0 412.494 1.534 20 0 HDADRO Cc1nc(COc2ccc(NC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)cc2)no1 ZINC000675608144 1075224578 /nfs/dbraw/zinc/22/45/78/1075224578.db2.gz UCUGGZAAADMCFV-UHFFFAOYSA-N 1 0 413.438 1.292 20 0 HDADRO O=C(Nc1cnn(CC(F)(F)F)c1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000675588092 1075226299 /nfs/dbraw/zinc/22/62/99/1075226299.db2.gz PSWULXFVNJRMKC-CQSZACIVSA-N 1 0 403.405 1.097 20 0 HDADRO O=C(Nc1cnn(Cc2ccccc2)c1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000675588325 1075226386 /nfs/dbraw/zinc/22/63/86/1075226386.db2.gz YLUMURFZVUNOPB-HXUWFJFHSA-N 1 0 411.506 1.583 20 0 HDADRO C[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cnn(CC4CC4)c3)cc2)CC1 ZINC000675588004 1075226738 /nfs/dbraw/zinc/22/67/38/1075226738.db2.gz OJJWMGJYZXPDCH-UHFFFAOYSA-N 1 0 410.522 1.295 20 0 HDADRO CCc1noc(-c2ccc(C)c(NC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)c2)n1 ZINC000675608846 1075227146 /nfs/dbraw/zinc/22/71/46/1075227146.db2.gz YEJIVCMNIJIAHC-UHFFFAOYSA-N 1 0 411.466 1.943 20 0 HDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@H](C)[C@H]1CCCOC1 ZINC000509354416 1075231339 /nfs/dbraw/zinc/23/13/39/1075231339.db2.gz QTRZYTSXPTZUQS-IRXDYDNUSA-N 1 0 411.568 1.770 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cc(C(C)C)on3)cc2)CC1 ZINC000441783966 1075232466 /nfs/dbraw/zinc/23/24/66/1075232466.db2.gz DHEICODPLNTACT-UHFFFAOYSA-N 1 0 413.522 2.190 20 0 HDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2cc(C(C)C)on2)CC1 ZINC000441793570 1075232807 /nfs/dbraw/zinc/23/28/07/1075232807.db2.gz UQNAKYKXDKCKPT-UHFFFAOYSA-N 1 0 413.522 2.190 20 0 HDADRO O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000675598445 1075235343 /nfs/dbraw/zinc/23/53/43/1075235343.db2.gz UYBLSBRZEDUXFH-ICSRJNTNSA-N 1 0 411.506 1.231 20 0 HDADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000675602489 1075239490 /nfs/dbraw/zinc/23/94/90/1075239490.db2.gz DJXZIERJLAGGQI-IBGZPJMESA-N 1 0 400.523 1.637 20 0 HDADRO C[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000429365869 1075240702 /nfs/dbraw/zinc/24/07/02/1075240702.db2.gz KEDWPLUIGUXFCK-INIZCTEOSA-N 1 0 408.568 1.682 20 0 HDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000675621866 1075242080 /nfs/dbraw/zinc/24/20/80/1075242080.db2.gz QCFAAXKJNYPASE-YPMHNXCESA-N 1 0 400.292 1.846 20 0 HDADRO CO[C@@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1Cl ZINC000675651521 1075247209 /nfs/dbraw/zinc/24/72/09/1075247209.db2.gz ALDNBFQXSFHSAO-LPHOPBHVSA-N 1 0 410.946 1.733 20 0 HDADRO COc1cc(OC)cc(OCCNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000675650369 1075247374 /nfs/dbraw/zinc/24/73/74/1075247374.db2.gz BAKZUOUQEXNLMO-MRXNPFEDSA-N 1 0 406.527 1.550 20 0 HDADRO CO[C@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1Cl ZINC000675651524 1075247441 /nfs/dbraw/zinc/24/74/41/1075247441.db2.gz ALDNBFQXSFHSAO-QFBILLFUSA-N 1 0 410.946 1.733 20 0 HDADRO COC[C@H](C)n1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000445160418 1075251031 /nfs/dbraw/zinc/25/10/31/1075251031.db2.gz PNUONUBFZDHJIE-QFBILLFUSA-N 1 0 401.511 2.369 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)CC1 ZINC000543642016 1075251054 /nfs/dbraw/zinc/25/10/54/1075251054.db2.gz RRKLNLCBIRPEOT-IBGZPJMESA-N 1 0 415.586 1.505 20 0 HDADRO Cc1cc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)ccc1S(N)(=O)=O ZINC000675665823 1075252015 /nfs/dbraw/zinc/25/20/15/1075252015.db2.gz YOIACVAFWSYBQP-UHFFFAOYSA-N 1 0 417.535 1.820 20 0 HDADRO CC(C)C[C@@H](CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)N1CCOCC1 ZINC000543641660 1075252245 /nfs/dbraw/zinc/25/22/45/1075252245.db2.gz KNIBZTQORYFAHZ-NRFANRHFSA-N 1 0 423.646 1.792 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCn2cnc3ccccc32)CC1 ZINC000509366657 1075266714 /nfs/dbraw/zinc/26/67/14/1075266714.db2.gz OZQJANUPENVOGM-UHFFFAOYSA-N 1 0 400.527 1.622 20 0 HDADRO Cn1cc([C@H]2CN(C(=O)c3ccnc(OCC[NH+](C)C)c3)CC23CCOCC3)cn1 ZINC001129050977 1075267737 /nfs/dbraw/zinc/26/77/37/1075267737.db2.gz FECRVLOCYISILM-LJQANCHMSA-N 1 0 413.522 1.792 20 0 HDADRO O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000509369052 1075269724 /nfs/dbraw/zinc/26/97/24/1075269724.db2.gz FOOKDJUVGRJXLG-UHFFFAOYSA-N 1 0 409.405 1.172 20 0 HDADRO C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000675782469 1075270909 /nfs/dbraw/zinc/27/09/09/1075270909.db2.gz UKAHJMJTYKJTNV-KRWDZBQOSA-N 1 0 408.568 1.286 20 0 HDADRO Cc1c([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cnn1-c1ccc(F)cc1 ZINC000675817667 1075276424 /nfs/dbraw/zinc/27/64/24/1075276424.db2.gz WSJZAQHHVJZYKM-OAHLLOKOSA-N 1 0 409.531 1.548 20 0 HDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000675820228 1075277266 /nfs/dbraw/zinc/27/72/66/1075277266.db2.gz XQOWNTYBJFOQTO-CQSZACIVSA-N 1 0 409.474 1.856 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000509370996 1075281434 /nfs/dbraw/zinc/28/14/34/1075281434.db2.gz KVIURIPTRHIQBT-UHFFFAOYSA-N 1 0 403.570 1.433 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000466705822 1075284504 /nfs/dbraw/zinc/28/45/04/1075284504.db2.gz PAVHOCBFIXNIMD-QFBILLFUSA-N 1 0 421.501 1.934 20 0 HDADRO COCCOCc1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000675859964 1075284602 /nfs/dbraw/zinc/28/46/02/1075284602.db2.gz IEMJMOZMRXVOCX-IBGZPJMESA-N 1 0 404.511 1.620 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000466705513 1075285216 /nfs/dbraw/zinc/28/52/16/1075285216.db2.gz OBNDKZMTSZGPSP-FUHWJXTLSA-N 1 0 424.501 1.659 20 0 HDADRO COc1cc(Br)cc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000525882730 1075287642 /nfs/dbraw/zinc/28/76/42/1075287642.db2.gz WTTJGKVNLBLMRP-UHFFFAOYSA-N 1 0 410.272 1.793 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000675898913 1075288104 /nfs/dbraw/zinc/28/81/04/1075288104.db2.gz RYEQBHJQXRYSMD-RDTXWAMCSA-N 1 0 416.349 1.972 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000675900021 1075288493 /nfs/dbraw/zinc/28/84/93/1075288493.db2.gz UAKKYSFUBBLELR-INIZCTEOSA-N 1 0 406.328 1.835 20 0 HDADRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000675887150 1075289567 /nfs/dbraw/zinc/28/95/67/1075289567.db2.gz YFXLNXSFESWXPY-IAGOWNOFSA-N 1 0 404.946 1.978 20 0 HDADRO COc1ccccc1N(CCC(N)=O)C(=O)CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429387847 1075308174 /nfs/dbraw/zinc/30/81/74/1075308174.db2.gz PTXUPJKJTXACGJ-KRWDZBQOSA-N 1 0 402.539 1.710 20 0 HDADRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@@]3(O)CCCc4ccccc43)ccn2)CC1 ZINC000731364028 1075309958 /nfs/dbraw/zinc/30/99/58/1075309958.db2.gz YTFHWOFSVRNICI-QHCPKHFHSA-N 1 0 409.534 1.857 20 0 HDADRO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(NC(=O)CC3CCCC3)CC2)CC1 ZINC000731354434 1075318415 /nfs/dbraw/zinc/31/84/15/1075318415.db2.gz OYQURLLCWCFJEO-KRWDZBQOSA-N 1 0 422.570 1.837 20 0 HDADRO COc1cccc(OCCN2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)c1 ZINC000675995355 1075319787 /nfs/dbraw/zinc/31/97/87/1075319787.db2.gz PYXZQRCJGGBGMF-LJQANCHMSA-N 1 0 402.539 1.886 20 0 HDADRO CC1CCC(N2C[C@H](C(=O)OCC(=O)NC3CC[NH+](C4CC4)CC3)CC2=O)CC1 ZINC000731392243 1075327143 /nfs/dbraw/zinc/32/71/43/1075327143.db2.gz WIWQZANNQYANNI-KOHRHEQBSA-N 1 0 405.539 1.700 20 0 HDADRO COc1cc(-c2noc(CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)n2)cc(OC)c1OC ZINC000676040391 1075338381 /nfs/dbraw/zinc/33/83/81/1075338381.db2.gz YCYUAFDGNQZMTJ-HOTGVXAUSA-N 1 0 418.494 1.793 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC(OCCCO)CC1)c1ccc(Cl)cc1 ZINC000676043385 1075338910 /nfs/dbraw/zinc/33/89/10/1075338910.db2.gz BQLULXRAWIHFBK-SFHVURJKSA-N 1 0 411.930 1.449 20 0 HDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](C)C1 ZINC000533003466 1075340697 /nfs/dbraw/zinc/34/06/97/1075340697.db2.gz KEKNUOWQOYLKGO-KBPBESRZSA-N 1 0 419.448 1.637 20 0 HDADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000804084070 1075351419 /nfs/dbraw/zinc/35/14/19/1075351419.db2.gz LHHPZCASJFQIBE-SFHVURJKSA-N 1 0 411.930 1.306 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000676092322 1075352162 /nfs/dbraw/zinc/35/21/62/1075352162.db2.gz CUNSPLNILWQPEI-UHFFFAOYSA-N 1 0 424.486 1.642 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cn1 ZINC000676094016 1075353249 /nfs/dbraw/zinc/35/32/49/1075353249.db2.gz ZHWDETLMHNSCKQ-LJQANCHMSA-N 1 0 413.478 1.422 20 0 HDADRO COc1cc2c(cc1OC)CCN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)CC2 ZINC000676093729 1075353565 /nfs/dbraw/zinc/35/35/65/1075353565.db2.gz ZOXFTVMOHHLLQK-UHFFFAOYSA-N 1 0 415.494 1.028 20 0 HDADRO COc1ccccc1CC1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676093210 1075354769 /nfs/dbraw/zinc/35/47/69/1075354769.db2.gz HGLIHKONONBWDY-UHFFFAOYSA-N 1 0 413.522 1.873 20 0 HDADRO O=C(NC[C@H](O)COc1ccc(F)c(F)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095001 1075355237 /nfs/dbraw/zinc/35/52/37/1075355237.db2.gz XFPUKLQMCFSJRQ-AWEZNQCLSA-N 1 0 417.372 1.040 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000676094677 1075355616 /nfs/dbraw/zinc/35/56/16/1075355616.db2.gz NMRSVNMNQLZPFD-AWEZNQCLSA-N 1 0 412.400 1.879 20 0 HDADRO CCO[C@H](CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CCCC1 ZINC000427541522 1075356917 /nfs/dbraw/zinc/35/69/17/1075356917.db2.gz HIBNUGHKGNFNAK-GOSISDBHSA-N 1 0 405.543 2.190 20 0 HDADRO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000731465684 1075357238 /nfs/dbraw/zinc/35/72/38/1075357238.db2.gz LOMQTXULFGIEBM-QGZVFWFLSA-N 1 0 420.517 1.897 20 0 HDADRO O=C(CC1CCCC1)NC1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676095757 1075357387 /nfs/dbraw/zinc/35/73/87/1075357387.db2.gz VHQMVSASHAZHNR-UHFFFAOYSA-N 1 0 424.505 1.893 20 0 HDADRO CCn1c(=O)c2ccccc2n(CC(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)c1=O ZINC000731469086 1075358096 /nfs/dbraw/zinc/35/80/96/1075358096.db2.gz NKHQJIXXYHFKPV-QGZVFWFLSA-N 1 0 406.486 1.703 20 0 HDADRO CCc1cc(N2CCC(NC(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)ncn1 ZINC000676096872 1075358326 /nfs/dbraw/zinc/35/83/26/1075358326.db2.gz FXOGEAKQCZIIBW-UHFFFAOYSA-N 1 0 420.477 1.343 20 0 HDADRO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000429396581 1075359910 /nfs/dbraw/zinc/35/99/10/1075359910.db2.gz CDDFPLJEOCHGEN-QZTJIDSGSA-N 1 0 416.570 1.483 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)cn1 ZINC000676097046 1075360594 /nfs/dbraw/zinc/36/05/94/1075360594.db2.gz MCAUNAQHTXDOLD-ZDUSSCGKSA-N 1 0 412.277 1.940 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cn1 ZINC000676097442 1075361632 /nfs/dbraw/zinc/36/16/32/1075361632.db2.gz MKMJECTZGYDJNH-GHMZBOCLSA-N 1 0 415.338 1.582 20 0 HDADRO CCOc1cc(Br)ccc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000550799311 1075362204 /nfs/dbraw/zinc/36/22/04/1075362204.db2.gz GKJJIAPOXOZALF-UHFFFAOYSA-N 1 0 424.299 2.183 20 0 HDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC1 ZINC000543656641 1075363342 /nfs/dbraw/zinc/36/33/42/1075363342.db2.gz AGVUBWFFCXERHO-INIZCTEOSA-N 1 0 421.485 1.753 20 0 HDADRO COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C(C)C)cc(C(=O)OC)c1 ZINC000429395956 1075363467 /nfs/dbraw/zinc/36/34/67/1075363467.db2.gz AJYZJGYIHXIDRD-WMZOPIPTSA-N 1 0 420.462 1.718 20 0 HDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1nc2nc(C)cc(C)n2n1 ZINC000440746106 1075364242 /nfs/dbraw/zinc/36/42/42/1075364242.db2.gz JJPSOZGJNFTAPX-UHFFFAOYSA-N 1 0 424.509 2.536 20 0 HDADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000676099414 1075365481 /nfs/dbraw/zinc/36/54/81/1075365481.db2.gz IHEYSHUZTJOHIN-OAHLLOKOSA-N 1 0 406.446 1.610 20 0 HDADRO CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000731484098 1075366155 /nfs/dbraw/zinc/36/61/55/1075366155.db2.gz DFUMGXWKCSKEIM-SFHVURJKSA-N 1 0 416.588 1.640 20 0 HDADRO CC(C)CNC(=O)C1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000731487246 1075367130 /nfs/dbraw/zinc/36/71/30/1075367130.db2.gz HKYAHPVAKZGRPQ-GOSISDBHSA-N 1 0 402.495 1.348 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000676087928 1075370017 /nfs/dbraw/zinc/37/00/17/1075370017.db2.gz PDUYWSMBILWRMT-UXHICEINSA-N 1 0 410.518 1.840 20 0 HDADRO CN(C(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000804086713 1075370075 /nfs/dbraw/zinc/37/00/75/1075370075.db2.gz CDPWXZZXTFEMOS-HLLBOEOZSA-N 1 0 408.543 1.634 20 0 HDADRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)N2CCOCC2)o1 ZINC000676089498 1075372480 /nfs/dbraw/zinc/37/24/80/1075372480.db2.gz IXDFOPNHKSBUKI-SFHVURJKSA-N 1 0 424.461 1.297 20 0 HDADRO CCCNC(=O)c1cccc(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000676089645 1075372609 /nfs/dbraw/zinc/37/26/09/1075372609.db2.gz MBCRFXZDFMJSPX-UHFFFAOYSA-N 1 0 406.446 1.662 20 0 HDADRO C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)N1CCc2sccc2C1 ZINC000676089229 1075373278 /nfs/dbraw/zinc/37/32/78/1075373278.db2.gz IIDYCRRELQIYHD-CQSZACIVSA-N 1 0 404.540 1.008 20 0 HDADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000676090837 1075374113 /nfs/dbraw/zinc/37/41/13/1075374113.db2.gz IZQGUUXEEIGYOM-GOSISDBHSA-N 1 0 415.494 1.764 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccnc(OC3CCCC3)c2)cn1 ZINC000676090628 1075374406 /nfs/dbraw/zinc/37/44/06/1075374406.db2.gz WBZWLFFIZDPXPB-UHFFFAOYSA-N 1 0 400.483 1.416 20 0 HDADRO CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1OC ZINC000448484308 1075375498 /nfs/dbraw/zinc/37/54/98/1075375498.db2.gz CJNCGCASPXGXEF-AWEZNQCLSA-N 1 0 403.483 1.668 20 0 HDADRO C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676091076 1075375511 /nfs/dbraw/zinc/37/55/11/1075375511.db2.gz YLEZROCMFNBOTC-OAHLLOKOSA-N 1 0 410.482 1.184 20 0 HDADRO O=C(NCc1cccc(CN2CCOCC2)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676091935 1075375872 /nfs/dbraw/zinc/37/58/72/1075375872.db2.gz OTZQUPSSFAOAEL-UHFFFAOYSA-N 1 0 420.473 1.354 20 0 HDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804089879 1075381050 /nfs/dbraw/zinc/38/10/50/1075381050.db2.gz ZDGVNJYUMOHHBX-YESZJQIVSA-N 1 0 410.559 1.881 20 0 HDADRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000804091091 1075389963 /nfs/dbraw/zinc/38/99/63/1075389963.db2.gz WFKOZDLAENEPQQ-SJORKVTESA-N 1 0 422.570 1.929 20 0 HDADRO O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000676131096 1075391237 /nfs/dbraw/zinc/39/12/37/1075391237.db2.gz MUGNQFVUNDWUMA-NQIIRXRSSA-N 1 0 408.502 1.977 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)n2)cc1 ZINC000509740899 1075397167 /nfs/dbraw/zinc/39/71/67/1075397167.db2.gz AQBWABMGMVMKAN-QFBILLFUSA-N 1 0 411.506 1.964 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)CC2)C1 ZINC000676151908 1075401166 /nfs/dbraw/zinc/40/11/66/1075401166.db2.gz YKQNZNMNQLIKEB-HTAPYJJXSA-N 1 0 419.570 1.116 20 0 HDADRO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000731599507 1075406692 /nfs/dbraw/zinc/40/66/92/1075406692.db2.gz FLKYMCQKKKUFIP-FQEVSTJZSA-N 1 0 420.521 1.665 20 0 HDADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000543659988 1075408706 /nfs/dbraw/zinc/40/87/06/1075408706.db2.gz ZMBUOBWMRPALGU-HXUWFJFHSA-N 1 0 401.532 1.798 20 0 HDADRO Cn1cccc1C(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000676167460 1075409708 /nfs/dbraw/zinc/40/97/08/1075409708.db2.gz KHRKHJNELBVGHK-UYAOXDASSA-N 1 0 417.554 1.260 20 0 HDADRO C[NH+]1CCN(c2ccc(CNC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)cn2)CC1 ZINC000731604902 1075409893 /nfs/dbraw/zinc/40/98/93/1075409893.db2.gz YQXJXTYMXWNHKD-UHFFFAOYSA-N 1 0 422.464 1.448 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000676169652 1075410745 /nfs/dbraw/zinc/41/07/45/1075410745.db2.gz YIMGBFNDCRSMSF-RBUKOAKNSA-N 1 0 407.559 1.297 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)CC1 ZINC000543661020 1075411790 /nfs/dbraw/zinc/41/17/90/1075411790.db2.gz HIIBSLNCBYDFPR-UHFFFAOYSA-N 1 0 416.505 1.683 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNC(=O)C(F)(F)Oc2ccc(C=O)cc2)CC1 ZINC000731618855 1075415644 /nfs/dbraw/zinc/41/56/44/1075415644.db2.gz GPQWDUJHUOUGRD-UHFFFAOYSA-N 1 0 404.417 1.934 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000676168084 1075416751 /nfs/dbraw/zinc/41/67/51/1075416751.db2.gz MRDUCCOLXOLJGL-RTBURBONSA-N 1 0 416.570 1.881 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccoc2COc2ccc(C=O)cc2)C1 ZINC000731626817 1075419887 /nfs/dbraw/zinc/41/98/87/1075419887.db2.gz HADDIUDXNZFQOY-QGZVFWFLSA-N 1 0 413.474 1.988 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000504352441 1075426488 /nfs/dbraw/zinc/42/64/88/1075426488.db2.gz RFEBQSUJKKARDG-OAHLLOKOSA-N 1 0 402.474 1.890 20 0 HDADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000556528131 1075427031 /nfs/dbraw/zinc/42/70/31/1075427031.db2.gz ZTCKGPSJHACCOO-SJCJKPOMSA-N 1 0 421.860 2.025 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000448507478 1075428591 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ZINC000731683872 1075468289 /nfs/dbraw/zinc/46/82/89/1075468289.db2.gz KVRMOHOHSQDQBX-INIZCTEOSA-N 1 0 402.605 1.305 20 0 HDADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)Nc1ccn(C)n1 ZINC000448539508 1075479426 /nfs/dbraw/zinc/47/94/26/1075479426.db2.gz VMOQNSDERKUJSP-QGZVFWFLSA-N 1 0 407.478 1.949 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CN(C)CCO1 ZINC000676278773 1075479830 /nfs/dbraw/zinc/47/98/30/1075479830.db2.gz JRFNSPPPYQLQJU-FXAWDEMLSA-N 1 0 402.539 1.489 20 0 HDADRO COCCCn1ccc(NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000429416962 1075485265 /nfs/dbraw/zinc/48/52/65/1075485265.db2.gz FMTUOCFWQJXRCS-OAQYLSRUSA-N 1 0 401.511 2.020 20 0 HDADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000676280866 1075485388 /nfs/dbraw/zinc/48/53/88/1075485388.db2.gz UJCJJXMGZPFKKG-VQIMIIECSA-N 1 0 406.527 1.181 20 0 HDADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000676280863 1075485634 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CN(C)C(=O)CN1CCC(NC(=O)N(CCc2ccccc2)CC[NH+](C)C)CC1 ZINC000731761953 1075516742 /nfs/dbraw/zinc/51/67/42/1075516742.db2.gz QIBPWZPFQBDZRG-UHFFFAOYSA-N 1 0 403.571 1.355 20 0 HDADRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676345243 1075517933 /nfs/dbraw/zinc/51/79/33/1075517933.db2.gz NAIQRENTPZRUOI-INIZCTEOSA-N 1 0 401.511 1.593 20 0 HDADRO CN1C(=O)c2ccc(S(=O)(=O)NCc3ccc(CC[NH+](C)C)cc3)cc2C1=O ZINC000466728843 1075519108 /nfs/dbraw/zinc/51/91/08/1075519108.db2.gz LBILJSSNXRRHFF-UHFFFAOYSA-N 1 0 401.488 1.495 20 0 HDADRO Cc1nc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)nn1C ZINC000559572379 1075519891 /nfs/dbraw/zinc/51/98/91/1075519891.db2.gz MRSYHMGOPJEQIM-UHFFFAOYSA-N 1 0 412.416 1.671 20 0 HDADRO Cc1nc(NC(=O)C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)nn1C ZINC000550473281 1075520906 /nfs/dbraw/zinc/52/09/06/1075520906.db2.gz MJKAXLGXNIGKTO-UHFFFAOYSA-N 1 0 420.517 2.271 20 0 HDADRO C[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000731780553 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ZINC000676715380 1075658212 /nfs/dbraw/zinc/65/82/12/1075658212.db2.gz VRTMEUHECWVSGT-SFHVURJKSA-N 1 0 409.552 1.247 20 0 HDADRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)C2)CC1 ZINC000533445449 1075660174 /nfs/dbraw/zinc/66/01/74/1075660174.db2.gz KVXLUOPJHZAXQZ-SFHVURJKSA-N 1 0 414.533 1.937 20 0 HDADRO CCOCC[NH+]1CCN(Cn2nc(N3CCOCC3)n(CC(C)C)c2=S)CC1 ZINC000732180371 1075662959 /nfs/dbraw/zinc/66/29/59/1075662959.db2.gz HWPIMQLHCJDAGF-UHFFFAOYSA-N 1 0 412.604 1.518 20 0 HDADRO COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000027594260 1075664222 /nfs/dbraw/zinc/66/42/22/1075664222.db2.gz VGRVJMROEILLID-IBGZPJMESA-N 1 0 423.510 1.783 20 0 HDADRO C[NH+](C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000676721049 1075666862 /nfs/dbraw/zinc/66/68/62/1075666862.db2.gz GIOXFGREKIIRHL-UHFFFAOYSA-N 1 0 418.475 1.110 20 0 HDADRO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000732210705 1075667182 /nfs/dbraw/zinc/66/71/82/1075667182.db2.gz DZCMXMOJWIIRDU-LJQANCHMSA-N 1 0 404.511 1.668 20 0 HDADRO CCOC(=O)Cc1cccc(S(=O)(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000509433401 1075671093 /nfs/dbraw/zinc/67/10/93/1075671093.db2.gz CYQJHWFELKYQJV-SFHVURJKSA-N 1 0 409.552 1.193 20 0 HDADRO CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000676740596 1075671882 /nfs/dbraw/zinc/67/18/82/1075671882.db2.gz CBVVLDOHEQMEBB-YOEHRIQHSA-N 1 0 414.959 1.810 20 0 HDADRO CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000505060547 1075672927 /nfs/dbraw/zinc/67/29/27/1075672927.db2.gz GPHTYRJBCBSPSI-SFHVURJKSA-N 1 0 404.536 1.286 20 0 HDADRO Cn1ccnc1[C@H]1CCCN(C(=O)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000506429184 1075675627 /nfs/dbraw/zinc/67/56/27/1075675627.db2.gz MXBHFMGWVQDHHW-IBGZPJMESA-N 1 0 409.534 1.342 20 0 HDADRO C[C@@H](NC(=O)N1CC[C@H](N(C)Cc2cc(=O)[nH]c(N)n2)C1)c1ccc2n[nH]cc2c1 ZINC000553992168 1075676523 /nfs/dbraw/zinc/67/65/23/1075676523.db2.gz IHCTYKWNCFWZFA-WBMJQRKESA-N 1 0 410.482 1.618 20 0 HDADRO COc1cccc([C@@H](O)CNC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000732240647 1075677218 /nfs/dbraw/zinc/67/72/18/1075677218.db2.gz HUALXRWINPAJAM-QFIPXVFZSA-N 1 0 412.534 1.975 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000732245615 1075678995 /nfs/dbraw/zinc/67/89/95/1075678995.db2.gz BRZPOHUCYBHNLN-MLGOLLRUSA-N 1 0 417.337 1.913 20 0 HDADRO O=C(NCCCCN1C(=O)c2ccccc2C1=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000732246355 1075679402 /nfs/dbraw/zinc/67/94/02/1075679402.db2.gz RDTOAUQJBJWXQA-HZPDHXFCSA-N 1 0 400.479 1.225 20 0 HDADRO COc1cccc([C@@H](O)CNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000732245154 1075679412 /nfs/dbraw/zinc/67/94/12/1075679412.db2.gz RPGVLYWEPOIUMC-FQEVSTJZSA-N 1 0 414.506 1.519 20 0 HDADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000732247288 1075680295 /nfs/dbraw/zinc/68/02/95/1075680295.db2.gz DDGGEMWWYIZQDZ-QGZVFWFLSA-N 1 0 416.632 1.695 20 0 HDADRO CC1CC[NH+](CCCNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000028069716 1075681915 /nfs/dbraw/zinc/68/19/15/1075681915.db2.gz RIKVBRMEOJIAEN-LJQANCHMSA-N 1 0 423.579 1.996 20 0 HDADRO CCc1ccccc1Nc1nc(N)nc(CN2CC[N@H+](CCC(=O)OC)C[C@@H]2C)n1 ZINC000540420516 1075684689 /nfs/dbraw/zinc/68/46/89/1075684689.db2.gz YXEUERNTIVCKQM-HNNXBMFYSA-N 1 0 413.526 1.251 20 0 HDADRO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000536767494 1075692600 /nfs/dbraw/zinc/69/26/00/1075692600.db2.gz QULPJMIRZFJQFB-CYBMUJFWSA-N 1 0 406.450 1.445 20 0 HDADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000509438203 1075695613 /nfs/dbraw/zinc/69/56/13/1075695613.db2.gz MMAAROIQYMDRBL-LJQANCHMSA-N 1 0 415.582 1.256 20 0 HDADRO CNC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@@H]32)cc1 ZINC001084992790 1075697845 /nfs/dbraw/zinc/69/78/45/1075697845.db2.gz TWQPIXXFUBRUSQ-UBHOZABWSA-N 1 0 409.530 1.892 20 0 HDADRO CNc1cc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cc(Cl)n1 ZINC000732287518 1075699269 /nfs/dbraw/zinc/69/92/69/1075699269.db2.gz WCPRKXNEITVXMG-UHFFFAOYSA-N 1 0 403.918 1.899 20 0 HDADRO Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cn2)cc1 ZINC000429468151 1075700458 /nfs/dbraw/zinc/70/04/58/1075700458.db2.gz LLCIEBIKFXHLAV-KRWDZBQOSA-N 1 0 411.506 1.873 20 0 HDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000550838189 1075700486 /nfs/dbraw/zinc/70/04/86/1075700486.db2.gz CRJPOWHLGILBCK-IUODEOHRSA-N 1 0 413.444 1.618 20 0 HDADRO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CCCO1 ZINC000433645290 1075701403 /nfs/dbraw/zinc/70/14/03/1075701403.db2.gz BEIPMMSNFYNJSR-OAHLLOKOSA-N 1 0 419.913 2.081 20 0 HDADRO C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)Nc3nnc(C(C)(C)C)s3)CC2)C[C@@H](C)O1 ZINC000588734902 1075701416 /nfs/dbraw/zinc/70/14/16/1075701416.db2.gz SGHAKRNYIRFPHM-ZIAGYGMSSA-N 1 0 423.583 2.122 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000545907561 1075704707 /nfs/dbraw/zinc/70/47/07/1075704707.db2.gz DSIRUBNVHQKFPY-WIYYLYMNSA-N 1 0 417.513 2.507 20 0 HDADRO CC(C)[NH+]1CCN(c2ccc(C(=O)O[C@H]3CCN(c4cnn(C)c4)C3=O)cc2)CC1 ZINC000732336468 1075708150 /nfs/dbraw/zinc/70/81/50/1075708150.db2.gz WJQMVSIQFDGQEJ-FQEVSTJZSA-N 1 0 411.506 1.913 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CCCC1 ZINC000483993108 1075718016 /nfs/dbraw/zinc/71/80/16/1075718016.db2.gz JYWMDJUWOZVAOT-UHFFFAOYSA-N 1 0 404.902 1.909 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2nc3ccccn3n2)CC1 ZINC000546134972 1075719224 /nfs/dbraw/zinc/71/92/24/1075719224.db2.gz KXYNJKXWRVMCLP-UHFFFAOYSA-N 1 0 401.515 1.677 20 0 HDADRO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000509256876 1075721382 /nfs/dbraw/zinc/72/13/82/1075721382.db2.gz LOCDVFMIKXJDPZ-HNNXBMFYSA-N 1 0 400.570 1.496 20 0 HDADRO CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000429471378 1075723638 /nfs/dbraw/zinc/72/36/38/1075723638.db2.gz GNTHMQLCDUNSRF-ZDUSSCGKSA-N 1 0 410.540 1.178 20 0 HDADRO CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000429471377 1075723713 /nfs/dbraw/zinc/72/37/13/1075723713.db2.gz GNTHMQLCDUNSRF-CYBMUJFWSA-N 1 0 410.540 1.178 20 0 HDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000509254537 1075724915 /nfs/dbraw/zinc/72/49/15/1075724915.db2.gz BKAPJVZNAYHNCC-JKSUJKDBSA-N 1 0 414.597 1.742 20 0 HDADRO C[NH+](C)CCOc1ccc(CCNc2cc(S(=O)(=O)N3CCCC3)ccn2)cc1 ZINC000553034131 1075725798 /nfs/dbraw/zinc/72/57/98/1075725798.db2.gz WQRAYZLNMIDFSL-UHFFFAOYSA-N 1 0 418.563 2.461 20 0 HDADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCNc2nc3ccccc3s2)cc1 ZINC000590365537 1075727617 /nfs/dbraw/zinc/72/76/17/1075727617.db2.gz QFGCADGRTXPTRA-UHFFFAOYSA-N 1 0 411.531 2.567 20 0 HDADRO Cc1onc(N)c1S(=O)(=O)NCCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000583349691 1075727981 /nfs/dbraw/zinc/72/79/81/1075727981.db2.gz RSRADFPCBJBOIH-GJZGRUSLSA-N 1 0 422.551 2.053 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1 ZINC000533004342 1075728443 /nfs/dbraw/zinc/72/84/43/1075728443.db2.gz XMYYOEKDMUKJTQ-UHFFFAOYSA-N 1 0 415.338 1.727 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCc3c(Br)cccc3C2)n1 ZINC000446710402 1075730352 /nfs/dbraw/zinc/73/03/52/1075730352.db2.gz GTROKIYSJWAFQK-UHFFFAOYSA-N 1 0 420.311 1.731 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC(C)(C)c2cccc(Cl)c2F)n1 ZINC000469630867 1075731296 /nfs/dbraw/zinc/73/12/96/1075731296.db2.gz IJCQVMWIGYNNGF-UHFFFAOYSA-N 1 0 409.893 2.270 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cc(Cl)ccc2OC(F)F)n1 ZINC000446734025 1075731584 /nfs/dbraw/zinc/73/15/84/1075731584.db2.gz BOMCVDJYXFBEDQ-UHFFFAOYSA-N 1 0 415.828 1.954 20 0 HDADRO Cn1cc(CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c2ccc(Cl)cc21 ZINC000445201247 1075731646 /nfs/dbraw/zinc/73/16/46/1075731646.db2.gz XTJKTMNWAWIIQF-UHFFFAOYSA-N 1 0 416.913 1.887 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc(OCC(F)(F)F)c2)n1 ZINC000448482889 1075731743 /nfs/dbraw/zinc/73/17/43/1075731743.db2.gz GETMXDDEFYTWSR-UHFFFAOYSA-N 1 0 413.400 1.641 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cccc(COC(C)(C)C)c2)n1 ZINC000446709564 1075731842 /nfs/dbraw/zinc/73/18/42/1075731842.db2.gz AMHSZAZQACDOKH-UHFFFAOYSA-N 1 0 401.511 2.015 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(Sc2nccn2C)cc1 ZINC000429473233 1075732273 /nfs/dbraw/zinc/73/22/73/1075732273.db2.gz KLQXTYFADFIXEA-HNNXBMFYSA-N 1 0 416.551 1.262 20 0 HDADRO C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427519532 1075732453 /nfs/dbraw/zinc/73/24/53/1075732453.db2.gz QHDRVWHLNFMULP-IEBWSBKVSA-N 1 0 409.534 2.568 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)n1 ZINC000581578798 1075732935 /nfs/dbraw/zinc/73/29/35/1075732935.db2.gz UFKZPCQNHUAUIU-UHFFFAOYSA-N 1 0 424.509 1.900 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2c(F)cc(Br)cc2F)n1 ZINC000555035770 1075732943 /nfs/dbraw/zinc/73/29/43/1075732943.db2.gz LBXBFMBCYUSCKV-UHFFFAOYSA-N 1 0 416.226 2.063 20 0 HDADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509257790 1075734571 /nfs/dbraw/zinc/73/45/71/1075734571.db2.gz VOXRWGJKWHHWSP-JKSUJKDBSA-N 1 0 414.597 1.740 20 0 HDADRO Cn1c([C@@H]2CCS(=O)(=O)C2)nn(CN2CC[NH+](Cc3ccccc3)CC2)c1=S ZINC000732408468 1075736729 /nfs/dbraw/zinc/73/67/29/1075736729.db2.gz BQFFAAOCXFJOIM-QGZVFWFLSA-N 1 0 421.592 1.628 20 0 HDADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000509442515 1075736836 /nfs/dbraw/zinc/73/68/36/1075736836.db2.gz QBSQDZNDNPSQIB-HXUWFJFHSA-N 1 0 415.582 1.258 20 0 HDADRO Cn1nc(NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1OC(F)F ZINC000581065082 1075738022 /nfs/dbraw/zinc/73/80/22/1075738022.db2.gz QVFLEAZLEFEISV-OAHLLOKOSA-N 1 0 408.453 2.132 20 0 HDADRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000732413215 1075738651 /nfs/dbraw/zinc/73/86/51/1075738651.db2.gz QVHKMYNAHVUMAW-ZWKOTPCHSA-N 1 0 400.479 1.341 20 0 HDADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCCC[C@@H]3CN3CCCC3=O)cn2)CC1 ZINC000732441573 1075745216 /nfs/dbraw/zinc/74/52/16/1075745216.db2.gz MWBFPXXCWHIOAN-LJQANCHMSA-N 1 0 414.554 1.520 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1OCc1cscn1 ZINC000429477306 1075745762 /nfs/dbraw/zinc/74/57/62/1075745762.db2.gz PPEOXIAYZZBHFN-HNNXBMFYSA-N 1 0 417.535 1.413 20 0 HDADRO O=C(NCc1ccc(-n2cncn2)nc1)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000732446696 1075747734 /nfs/dbraw/zinc/74/77/34/1075747734.db2.gz VGACSHUEYORYME-FQEVSTJZSA-N 1 0 421.505 1.405 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000490540550 1075752574 /nfs/dbraw/zinc/75/25/74/1075752574.db2.gz HVIHWXUIODLTLR-GOSISDBHSA-N 1 0 407.522 1.547 20 0 HDADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)c3cnc(C4CC4)nc3N)cc2)CC1 ZINC000493964241 1075755059 /nfs/dbraw/zinc/75/50/59/1075755059.db2.gz BVUGCMVMPWURAY-UHFFFAOYSA-N 1 0 408.506 1.928 20 0 HDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000732474982 1075756666 /nfs/dbraw/zinc/75/66/66/1075756666.db2.gz NYFWCGVWSVCPBG-ZBFHGGJFSA-N 1 0 408.852 1.635 20 0 HDADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000582353001 1075758976 /nfs/dbraw/zinc/75/89/76/1075758976.db2.gz JRUKYFOSTDAVKZ-UHFFFAOYSA-N 1 0 410.522 2.396 20 0 HDADRO COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)c1 ZINC000732485070 1075762348 /nfs/dbraw/zinc/76/23/48/1075762348.db2.gz ODICRXSJCVEXSR-SFHVURJKSA-N 1 0 401.463 1.554 20 0 HDADRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC1 ZINC000470606547 1075764327 /nfs/dbraw/zinc/76/43/27/1075764327.db2.gz NWDTZTZKLPYKMB-KRWDZBQOSA-N 1 0 404.511 1.608 20 0 HDADRO COc1ccc([C@H](Cc2ccncc2)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000671746564 1075774648 /nfs/dbraw/zinc/77/46/48/1075774648.db2.gz COICESBNUHAFIO-NRFANRHFSA-N 1 0 418.563 1.541 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000732487404 1075775234 /nfs/dbraw/zinc/77/52/34/1075775234.db2.gz AEWHVYVDKOBINY-MGPUTAFESA-N 1 0 414.481 1.754 20 0 HDADRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000550838024 1075776881 /nfs/dbraw/zinc/77/68/81/1075776881.db2.gz WMHPGLCTCAFMHJ-UHFFFAOYSA-N 1 0 420.311 2.031 20 0 HDADRO CN1CCC(CNC(=O)Nc2nc3cc(Cl)ccn3n2)([NH+]2CCCCC2)CC1 ZINC000562093058 1075776887 /nfs/dbraw/zinc/77/68/87/1075776887.db2.gz UWCVLNGVVBYANS-UHFFFAOYSA-N 1 0 405.934 2.455 20 0 HDADRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000671768933 1075779001 /nfs/dbraw/zinc/77/90/01/1075779001.db2.gz IHKWPHSGTUJMHC-BPIHKTFHSA-N 1 0 422.595 1.671 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCCc3ccc(Cl)cc3)n2)CC1 ZINC000426909619 1075779497 /nfs/dbraw/zinc/77/94/97/1075779497.db2.gz PJMRXGYLHOSYCM-UHFFFAOYSA-N 1 0 403.914 2.491 20 0 HDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)COCCNC(=O)OC(C)(C)C)CC1 ZINC000732552453 1075784638 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ZINC000730057786 1076429204 /nfs/dbraw/zinc/42/92/04/1076429204.db2.gz JURFCNLJDGTQHM-INIZCTEOSA-N 1 0 421.519 1.962 20 0 HDADRO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000730083619 1076431348 /nfs/dbraw/zinc/43/13/48/1076431348.db2.gz RBPVYEZKWNBSSX-ARFHVFGLSA-N 1 0 401.573 1.690 20 0 HDADRO Cc1cccc(C2N=NC(=S)N2CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000730083253 1076432046 /nfs/dbraw/zinc/43/20/46/1076432046.db2.gz GQPHEFOSBMARTN-IRXDYDNUSA-N 1 0 401.536 1.600 20 0 HDADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1 ZINC000730092330 1076447730 /nfs/dbraw/zinc/44/77/30/1076447730.db2.gz FSTACBHJAVMQPQ-QHCPKHFHSA-N 1 0 409.486 1.766 20 0 HDADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000730106023 1076458000 /nfs/dbraw/zinc/45/80/00/1076458000.db2.gz QLLXLFYVZKHYRG-CKEIUWERSA-N 1 0 415.538 1.521 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000730123968 1076464811 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XDWZDTRCPWUBLR-LJQANCHMSA-N 1 0 419.547 1.494 20 0 HDADRO CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000730312812 1076527276 /nfs/dbraw/zinc/52/72/76/1076527276.db2.gz VRMNZTZMRGEFBH-GOSISDBHSA-N 1 0 405.520 1.363 20 0 HDADRO O=C(COC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000730314560 1076530017 /nfs/dbraw/zinc/53/00/17/1076530017.db2.gz IONCPSSUJUSZRX-KRWDZBQOSA-N 1 0 409.552 1.364 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)C1 ZINC000730385140 1076553553 /nfs/dbraw/zinc/55/35/53/1076553553.db2.gz PJVMOWKBEMBSIN-OAHLLOKOSA-N 1 0 403.458 1.423 20 0 HDADRO CC(C)[N@@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@@H](C)O ZINC000730419147 1076574727 /nfs/dbraw/zinc/57/47/27/1076574727.db2.gz GFOOKIHSXLYURN-GIIHOQTISA-N 1 0 409.552 1.223 20 0 HDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=S)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000730467584 1076580564 /nfs/dbraw/zinc/58/05/64/1076580564.db2.gz GDOPNWBFHSERMR-IBGZPJMESA-N 1 0 418.607 1.977 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000730559307 1076594468 /nfs/dbraw/zinc/59/44/68/1076594468.db2.gz DBFMDHFJVBOVPP-MRXNPFEDSA-N 1 0 415.506 1.925 20 0 HDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1 ZINC000730550991 1076599490 /nfs/dbraw/zinc/59/94/90/1076599490.db2.gz DJXBWZJPYGMICO-UHFFFAOYSA-N 1 0 410.927 1.847 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@@H](O)c2cccc(F)c2)cc1 ZINC000730680485 1076636740 /nfs/dbraw/zinc/63/67/40/1076636740.db2.gz UKSCBUXXHWVMIZ-LJQANCHMSA-N 1 0 403.454 1.945 20 0 HDADRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2csc(NC(=O)Cc3cccs3)n2)C1 ZINC000730790111 1076659419 /nfs/dbraw/zinc/65/94/19/1076659419.db2.gz WBEJNXXYFASCAZ-ZDUSSCGKSA-N 1 0 408.549 1.765 20 0 HDADRO CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000730825196 1076662622 /nfs/dbraw/zinc/66/26/22/1076662622.db2.gz MMIJJXAEHRUCQH-HOTGVXAUSA-N 1 0 411.547 1.273 20 0 HDADRO NS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1Br 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420.844 1.437 20 0 HDADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425285 718919002 /nfs/dbraw/zinc/91/90/02/718919002.db2.gz RGUFQEWAECENDS-INIZCTEOSA-N 1 0 420.844 1.957 20 0 HDADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H]3[NH2+]C[C@H]32)c1CN1CC[C@@H](CO)C1 ZINC001164448992 718998323 /nfs/dbraw/zinc/99/83/23/718998323.db2.gz KZXJQBHKHAKPGY-AYOQOUSVSA-N 1 0 401.555 1.821 20 0 HDADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H]3[NH2+]C[C@@H]32)c1CN1CC[C@H](CO)C1 ZINC001164448994 718998732 /nfs/dbraw/zinc/99/87/32/718998732.db2.gz KZXJQBHKHAKPGY-SNRMKQJTSA-N 1 0 401.555 1.821 20 0 HDADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(C(=O)OC)nc1Cl ZINC001164618886 719014295 /nfs/dbraw/zinc/01/42/95/719014295.db2.gz UMKSUQGSONICLG-ICCXJUOJSA-N 1 0 403.813 1.796 20 0 HDADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1 ZINC001164616180 719020125 /nfs/dbraw/zinc/02/01/25/719020125.db2.gz KNWDQXXDUHKZPA-USWWRNFRSA-N 1 0 423.869 1.413 20 0 HDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)CC4CC4)C3)n2)CC1 ZINC001164654805 719325490 /nfs/dbraw/zinc/32/54/90/719325490.db2.gz MYWSFLFSNPQKPK-YDHSSHFGSA-N 1 0 413.566 1.734 20 0 HDADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1C ZINC000301638448 719440790 /nfs/dbraw/zinc/44/07/90/719440790.db2.gz FRMNTTAOUPDAIF-HZPDHXFCSA-N 1 0 403.552 1.660 20 0 HDADRO CC(C)NS(=O)(=O)c1ccc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164679798 719639351 /nfs/dbraw/zinc/63/93/51/719639351.db2.gz NILXAEUWXOBCSX-UHFFFAOYSA-N 1 0 406.556 1.440 20 0 HDADRO CC(C)N(C)Cc1nn(-c2nc(Cl)nc3c2S(=O)(=O)CC3)c2c1CC[NH2+]C2 ZINC001164681760 719651085 /nfs/dbraw/zinc/65/10/85/719651085.db2.gz QTZXVSATFFRIOP-UHFFFAOYSA-N 1 0 410.931 1.131 20 0 HDADRO CCOC(=O)N1CCc2nnc(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)cc2C1 ZINC001164690310 719741562 /nfs/dbraw/zinc/74/15/62/719741562.db2.gz ZHMSRBXHFODBAU-UHFFFAOYSA-N 1 0 416.526 1.172 20 0 HDADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)COc1cncc(Cl)n1)CC2 ZINC001164689581 719743346 /nfs/dbraw/zinc/74/33/46/719743346.db2.gz IIOGXERJWDRSPZ-UHFFFAOYSA-N 1 0 403.861 1.778 20 0 HDADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001164705725 719871703 /nfs/dbraw/zinc/87/17/03/719871703.db2.gz OCWRWKKGYPETHG-DENIHFKCSA-N 1 0 402.539 1.909 20 0 HDADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164708752 719921376 /nfs/dbraw/zinc/92/13/76/719921376.db2.gz OQGUJHFOGDPIFC-UHFFFAOYSA-N 1 0 423.565 1.361 20 0 HDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)nc3cnccc31)C2 ZINC001164814971 720132506 /nfs/dbraw/zinc/13/25/06/720132506.db2.gz UUOVPSYJCVVPJS-OPAMFIHVSA-N 1 0 411.506 1.996 20 0 HDADRO COc1ccc2c(c1)ncnc2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719474 720182064 /nfs/dbraw/zinc/18/20/64/720182064.db2.gz VGWHCKXDBKBTKV-HXUWFJFHSA-N 1 0 423.521 1.983 20 0 HDADRO Cn1nnc2c1CCN(c1cncc(N3CCCC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715207 720190864 /nfs/dbraw/zinc/19/08/64/720190864.db2.gz JUHXBJQEXZZPSO-GOSISDBHSA-N 1 0 412.542 1.422 20 0 HDADRO Cn1nnc2c1CCN(c1ccc(Cn3cncn3)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717079 720197217 /nfs/dbraw/zinc/19/72/17/720197217.db2.gz RZLLRLYROFLKNY-IBGZPJMESA-N 1 0 423.525 1.066 20 0 HDADRO COc1ncc(Cl)c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164714548 720203068 /nfs/dbraw/zinc/20/30/68/720203068.db2.gz GJZUNRALCGNQLP-OAHLLOKOSA-N 1 0 407.906 1.483 20 0 HDADRO COc1nc(C)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1C ZINC001164713449 720203408 /nfs/dbraw/zinc/20/34/08/720203408.db2.gz CJCRROOXTJRTAF-QGZVFWFLSA-N 1 0 401.515 1.447 20 0 HDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C(N)=O)c(Cl)cn1)CCC2 ZINC001164812956 720212703 /nfs/dbraw/zinc/21/27/03/720212703.db2.gz NKVYYWWMCWCBCE-UHFFFAOYSA-N 1 0 404.902 1.641 20 0 HDADRO COC(=O)c1cc(OC)cnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813410 720217726 /nfs/dbraw/zinc/21/77/26/720217726.db2.gz LPQAOFXRISKZFM-UHFFFAOYSA-N 1 0 415.494 1.684 20 0 HDADRO 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409.450 1.267 20 0 HDADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)cc-2n1 ZINC001164742662 720689490 /nfs/dbraw/zinc/68/94/90/720689490.db2.gz WGUCZAYGHJJQKY-UONOGXRCSA-N 1 0 424.461 1.490 20 0 HDADRO CCOC(=O)c1cc2cccnc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737618 720693812 /nfs/dbraw/zinc/69/38/12/720693812.db2.gz GPNVMDFIYNWUFZ-DLBZAZTESA-N 1 0 420.473 1.938 20 0 HDADRO CCc1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCOCC2)n1 ZINC001164746946 720730084 /nfs/dbraw/zinc/73/00/84/720730084.db2.gz ZBVJRKZNRDLTLB-ZWKOTPCHSA-N 1 0 411.510 1.008 20 0 HDADRO FC(F)(COc1ccc(Cl)nn1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743421 720762263 /nfs/dbraw/zinc/76/22/63/720762263.db2.gz QAEFMTICOMVKEP-QWHCGFSZSA-N 1 0 412.828 1.729 20 0 HDADRO Clc1nc2c(Cl)ncnc2c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164748288 720793806 /nfs/dbraw/zinc/79/38/06/720793806.db2.gz QILRXBCKISJRQI-QWRGUYRKSA-N 1 0 419.276 1.859 20 0 HDADRO 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/nfs/dbraw/zinc/03/67/61/721036761.db2.gz WGNDQVUUKNBRTQ-QFIPXVFZSA-N 1 0 408.506 1.382 20 0 HDADRO c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(CN5CCOCC5)cn4)CC[N@@H+]3C2)c1 ZINC001164867979 721052240 /nfs/dbraw/zinc/05/22/40/721052240.db2.gz LPJWOBLYAXYPKB-FGZHOGPDSA-N 1 0 409.534 1.789 20 0 HDADRO Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164761633 721065303 /nfs/dbraw/zinc/06/53/03/721065303.db2.gz CGEXNYRSNPQVPO-SPEDKVCISA-N 1 0 424.549 1.338 20 0 HDADRO CCOC(=O)c1c[n-]c2nc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164768654 721094649 /nfs/dbraw/zinc/09/46/49/721094649.db2.gz OCAAOWAKKQTKPL-CVEARBPZSA-N 1 0 409.494 1.826 20 0 HDADRO COC(OC)c1c(CO)ccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865932 721121654 /nfs/dbraw/zinc/12/16/54/721121654.db2.gz QAABBVWNWWAEEP-RBUKOAKNSA-N 1 0 414.506 1.740 20 0 HDADRO CCNS(=O)(=O)c1cccnc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164772223 721159781 /nfs/dbraw/zinc/15/97/81/721159781.db2.gz UKXBCSRNHHTMRV-IAGOWNOFSA-N 1 0 404.540 1.072 20 0 HDADRO c1cncc(CO[C@@H]2C[C@H]3CN(c4cc(N5CCSCC5)ncn4)CC[N@@H+]3C2)c1 ZINC001164880985 721169500 /nfs/dbraw/zinc/16/95/00/721169500.db2.gz YOQQMWAOYIXYFW-RBUKOAKNSA-N 1 0 412.563 1.905 20 0 HDADRO CN1CCc2nc(Cl)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2C1 ZINC001164872198 721183486 /nfs/dbraw/zinc/18/34/86/721183486.db2.gz GUPZWRIGDJMWFV-SJORKVTESA-N 1 0 414.941 1.993 20 0 HDADRO CCNC(=O)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867459 721196314 /nfs/dbraw/zinc/19/63/14/721196314.db2.gz GHKJTQPFWLYJMM-HOTGVXAUSA-N 1 0 416.913 1.754 20 0 HDADRO CNC(=O)[C@]12CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164871362 721207235 /nfs/dbraw/zinc/20/72/35/721207235.db2.gz YRGFRVJSWRKVNN-WMZHIEFXSA-N 1 0 421.549 1.687 20 0 HDADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)cc(O[C@H]5CCOC5)n4)C[C@@H]3C2)cn1 ZINC001164762798 721243171 /nfs/dbraw/zinc/24/31/71/721243171.db2.gz LIZCCQQSDOKNAG-IKGGRYGDSA-N 1 0 418.929 1.990 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3ccnc(Cl)n3)CC2)C1 ZINC001164874165 721259607 /nfs/dbraw/zinc/25/96/07/721259607.db2.gz JIBFEUIKBRDPBA-UHFFFAOYSA-N 1 0 417.888 1.682 20 0 HDADRO COC(OC)c1cc(C)cnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164872053 721281023 /nfs/dbraw/zinc/28/10/23/721281023.db2.gz ABAPEOUYLIQIJM-UHFFFAOYSA-N 1 0 420.554 1.688 20 0 HDADRO CC(=O)Nc1c(C)ccnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164873606 721282780 /nfs/dbraw/zinc/28/27/80/721282780.db2.gz OXWSUQXIPWKPGO-UHFFFAOYSA-N 1 0 403.527 1.355 20 0 HDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)n2)CC1 ZINC001164882731 721350707 /nfs/dbraw/zinc/35/07/07/721350707.db2.gz HNWLDJXHXFMXDD-LEWJYISDSA-N 1 0 421.545 1.811 20 0 HDADRO C[NH+]1CCN(c2cccc(N3C[C@H]4OCC(=O)N(c5cccc(F)c5)[C@H]4C3)n2)CC1 ZINC001164885710 721365909 /nfs/dbraw/zinc/36/59/09/721365909.db2.gz YOFJYDONSRTHAU-RBUKOAKNSA-N 1 0 411.481 1.593 20 0 HDADRO CN(C)c1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164889962 721380849 /nfs/dbraw/zinc/38/08/49/721380849.db2.gz NBBASZFOHYBDKZ-UZLBHIALSA-N 1 0 408.978 1.961 20 0 HDADRO COC(=O)c1ccc(C)nc1N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894639 721388007 /nfs/dbraw/zinc/38/80/07/721388007.db2.gz ZKTOCGQAJGLCMC-XMSQKQJNSA-N 1 0 402.539 1.942 20 0 HDADRO CCOC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164887790 721391135 /nfs/dbraw/zinc/39/11/35/721391135.db2.gz IJYXRGPUMPFJFA-UTKZUKDTSA-N 1 0 403.527 1.419 20 0 HDADRO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncccc4S(C)(=O)=O)C3)O2)CC1 ZINC001164884979 721399707 /nfs/dbraw/zinc/39/97/07/721399707.db2.gz BKKHUKAJTRDIKS-FXAWDEMLSA-N 1 0 408.568 1.251 20 0 HDADRO COC(=O)c1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1F ZINC001164893044 721400441 /nfs/dbraw/zinc/40/04/41/721400441.db2.gz ZXBBGHJHLUTESU-IIBYNOLFSA-N 1 0 406.502 1.773 20 0 HDADRO COC(=O)c1cc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1F ZINC001164893040 721400584 /nfs/dbraw/zinc/40/05/84/721400584.db2.gz ZXBBGHJHLUTESU-IERDGZPVSA-N 1 0 406.502 1.773 20 0 HDADRO CCOC(=O)c1cncc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164890937 721408524 /nfs/dbraw/zinc/40/85/24/721408524.db2.gz UMNZFHVTLSXNMK-DYESRHJHSA-N 1 0 403.527 1.419 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc5ccc(=O)n(C)c5n4)C3)O2)CC1 ZINC001164889508 721413683 /nfs/dbraw/zinc/41/36/83/721413683.db2.gz RFELGAUCYPNDJT-XXBNENTESA-N 1 0 411.550 1.699 20 0 HDADRO CCOC(=O)c1ncnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164885783 721417617 /nfs/dbraw/zinc/41/76/17/721417617.db2.gz HJEYPHDIYDFWKE-PGRDOPGGSA-N 1 0 417.554 1.727 20 0 HDADRO CCOC(=O)Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164888231 721418303 /nfs/dbraw/zinc/41/83/03/721418303.db2.gz NQTPQWXCALJQAN-SIKLNZKXSA-N 1 0 417.554 1.348 20 0 HDADRO COC(=O)c1cc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1C ZINC001164884462 721419904 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QBYIMDDXVQCPEB-IBGZPJMESA-N 1 0 418.538 1.997 20 0 HDADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccnc1C(=O)OC)CC2 ZINC001164787855 721453441 /nfs/dbraw/zinc/45/34/41/721453441.db2.gz QYAPGKLVFHAZTC-SFHVURJKSA-N 1 0 418.538 1.997 20 0 HDADRO O=C(C[C@]12COC[C@@H]1CN(c1cccc(OCC[NH+]3CCCC3)n1)C2)NCC1CC1 ZINC001164895303 721482942 /nfs/dbraw/zinc/48/29/42/721482942.db2.gz KYFITIMROJYNRY-CVDCTZTESA-N 1 0 414.550 1.925 20 0 HDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncccc2C(=O)N2CCCC2)CC3)CC1 ZINC001164796250 721508071 /nfs/dbraw/zinc/50/80/71/721508071.db2.gz QOKXKYVRRKAQKM-UHFFFAOYSA-N 1 0 409.538 1.282 20 0 HDADRO COC(=O)c1cccc2nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)ncc21 ZINC001164794214 721511254 /nfs/dbraw/zinc/51/12/54/721511254.db2.gz LDXFGNRQGNGOCE-UHFFFAOYSA-N 1 0 421.505 1.381 20 0 HDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)nc4ncsc42)CC3)CC1 ZINC001164794883 721513692 /nfs/dbraw/zinc/51/36/92/721513692.db2.gz XUYLLICBLWHMCD-UHFFFAOYSA-N 1 0 404.931 1.704 20 0 HDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nccc(-c4cccnc4F)n2)CC3)CC1 ZINC001164797246 721516376 /nfs/dbraw/zinc/51/63/76/721516376.db2.gz IWDGEABJTCWNLX-UHFFFAOYSA-N 1 0 408.485 1.642 20 0 HDADRO COC(=O)/C=C/c1cc(C)cnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164798348 721517143 /nfs/dbraw/zinc/51/71/43/721517143.db2.gz SECFOLCCIBOFIG-SNAWJCMRSA-N 1 0 410.522 1.540 20 0 HDADRO COc1cc(C)c2ncnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1 ZINC001164796110 721523205 /nfs/dbraw/zinc/52/32/05/721523205.db2.gz VPPXKNQVQKECKS-UHFFFAOYSA-N 1 0 407.522 1.911 20 0 HDADRO C[C@@H]1C(=O)Nc2cnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2N1C ZINC001164907131 721536476 /nfs/dbraw/zinc/53/64/76/721536476.db2.gz MFPLIPYHNLSPRD-UKPHBRMFSA-N 1 0 412.469 1.734 20 0 HDADRO C[NH+]1CCN(c2cccc(N3CCO[C@]4(CCCN(c5cnccn5)C4)C3)n2)CC1 ZINC001164902845 721580035 /nfs/dbraw/zinc/58/00/35/721580035.db2.gz JJEVPZOTJJCCNY-QFIPXVFZSA-N 1 0 409.538 1.499 20 0 HDADRO CN(Cc1cccnc1)[C@@H]1CN(c2ccc(OC3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164808168 721580526 /nfs/dbraw/zinc/58/05/26/721580526.db2.gz PZUZPIVMDBXORA-VIZSFHNOSA-N 1 0 424.549 1.871 20 0 HDADRO Cn1cc(C(=O)N[C@H]2CN(c3ccc(C[N@H+](C)C4CC4)cn3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001165013408 721757597 /nfs/dbraw/zinc/75/75/97/721757597.db2.gz LNGGBBDVLQXKND-QKNQBKEWSA-N 1 0 410.522 1.576 20 0 HDADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(S(N)(=O)=O)ccn3)C[C@H]21 ZINC001165024109 721827422 /nfs/dbraw/zinc/82/74/22/721827422.db2.gz JSWWILXJIMBASI-KFKAGJAMSA-N 1 0 401.536 1.861 20 0 HDADRO C[NH+]1CCN(c2ccc(N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)nn2)CC1 ZINC001164925316 721837751 /nfs/dbraw/zinc/83/77/51/721837751.db2.gz OMBLEDJNKZPWCD-AVRDEDQJSA-N 1 0 410.522 1.293 20 0 HDADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]21 ZINC001164947315 721950380 /nfs/dbraw/zinc/95/03/80/721950380.db2.gz XDCJZRKZJHALCI-UXHICEINSA-N 1 0 412.538 1.528 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CCc4onc(COc5ccccn5)c4C3)nn2)CC1 ZINC001164969468 722082842 /nfs/dbraw/zinc/08/28/42/722082842.db2.gz OLHCQIRJNKHJRV-UHFFFAOYSA-N 1 0 407.478 1.753 20 0 HDADRO NC(=O)c1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164980831 722103297 /nfs/dbraw/zinc/10/32/97/722103297.db2.gz KOJJHSXZYBTEBN-RDJZCZTQSA-N 1 0 401.898 1.956 20 0 HDADRO NC(=O)c1ncc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973108 722110263 /nfs/dbraw/zinc/11/02/63/722110263.db2.gz GOYWOWTWMYDAQL-LSDHHAIUSA-N 1 0 402.886 1.351 20 0 HDADRO CC1(C)C(=O)Nc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164979673 722136955 /nfs/dbraw/zinc/13/69/55/722136955.db2.gz LSOLBWBAHKUSFN-DLBZAZTESA-N 1 0 408.506 1.829 20 0 HDADRO Cc1nc(-n2cncn2)cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979731 722151781 /nfs/dbraw/zinc/15/17/81/722151781.db2.gz LVDILHCNFYSZSY-RTBURBONSA-N 1 0 406.494 1.488 20 0 HDADRO Cc1nc(CN2CCO[C@H]3CCN(c4ncc5c(n4)CC[NH2+]C5)CC[C@H]32)cs1 ZINC001164988450 722177614 /nfs/dbraw/zinc/17/76/14/722177614.db2.gz RIDYHXNRTXZHRF-MOPGFXCFSA-N 1 0 400.552 1.757 20 0 HDADRO Cc1nc(CN2CCO[C@H]3CCN(c4cc5c(nn4)CC[NH2+]C5)CC[C@@H]32)cs1 ZINC001164986949 722184061 /nfs/dbraw/zinc/18/40/61/722184061.db2.gz GHUUOVRWNQASPB-OALUTQOASA-N 1 0 400.552 1.757 20 0 HDADRO COCCO[C@H]1CCN(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]1Cc1cnn(C)c1 ZINC001164998727 722223925 /nfs/dbraw/zinc/22/39/25/722223925.db2.gz DYVJUCCJJJYZNV-UXHICEINSA-N 1 0 414.554 1.420 20 0 HDADRO COc1cnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1NC(C)C ZINC001164999806 722250224 /nfs/dbraw/zinc/25/02/24/722250224.db2.gz COJUHLYTWBRXOE-UHFFFAOYSA-N 1 0 403.531 1.991 20 0 HDADRO O=C(C[N@@H+]1CCOC[C@H](C2CCC2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000429043965 1073458483 /nfs/dbraw/zinc/45/84/83/1073458483.db2.gz TWMFSXNFTVPABL-OAQYLSRUSA-N 1 0 415.534 1.524 20 0 HDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001004708998 1073560101 /nfs/dbraw/zinc/56/01/01/1073560101.db2.gz NFGDHFXVIMLRAE-HMGBVJPOSA-N 1 0 401.551 1.926 20 0 HDADRO O=C(NCC1(c2ccc(F)cc2)CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000671415543 1073566646 /nfs/dbraw/zinc/56/66/46/1073566646.db2.gz LZSYANNWTAWHGD-IBGZPJMESA-N 1 0 403.498 1.591 20 0 HDADRO O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429104973 1073585989 /nfs/dbraw/zinc/58/59/89/1073585989.db2.gz QBGPTVVCHXXZFT-KRWDZBQOSA-N 1 0 402.495 1.345 20 0 HDADRO Cc1cccc(N2CC[NH+](CCC(=O)NCCCN3CCCS3(=O)=O)CC2)c1 ZINC000673656262 1073587665 /nfs/dbraw/zinc/58/76/65/1073587665.db2.gz JEIIMEMXDOTJBP-UHFFFAOYSA-N 1 0 408.568 1.049 20 0 HDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 ZINC000673658227 1073605337 /nfs/dbraw/zinc/60/53/37/1073605337.db2.gz GXYXRTXBMVGPEY-ROUUACIJSA-N 1 0 401.555 1.708 20 0 HDADRO CN(C(=O)c1ccc(NC(=O)c2cccn3c(=O)[nH]nc23)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000509124181 1073613758 /nfs/dbraw/zinc/61/37/58/1073613758.db2.gz QODAKCCMTJGYAQ-MRXNPFEDSA-N 1 0 408.462 1.853 20 0 HDADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccn2)cc1 ZINC000673661528 1073615803 /nfs/dbraw/zinc/61/58/03/1073615803.db2.gz HBMWPAABYWFHAA-OAQYLSRUSA-N 1 0 409.534 1.654 20 0 HDADRO NC(=O)c1ccccc1N1CC[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000673668977 1073623239 /nfs/dbraw/zinc/62/32/39/1073623239.db2.gz UPSXPDSCQXQRIO-SFHVURJKSA-N 1 0 422.533 1.088 20 0 HDADRO C[C@@H](NC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)C1CC[NH+](C)CC1 ZINC000673671472 1073626208 /nfs/dbraw/zinc/62/62/08/1073626208.db2.gz ZGIRFNBMZHINBX-DNVCBOLYSA-N 1 0 413.522 1.383 20 0 HDADRO NC(=O)C1(c2ccccc2)CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000673672311 1073627574 /nfs/dbraw/zinc/62/75/74/1073627574.db2.gz BLGHLBQLOMJFSZ-UHFFFAOYSA-N 1 0 421.545 1.639 20 0 HDADRO C[NH+](C)CCn1ccc2ccc(NC(=O)COc3ccc(S(N)(=O)=O)cc3)cc21 ZINC000673701987 1073644231 /nfs/dbraw/zinc/64/42/31/1073644231.db2.gz SMEVQZNFYNVFBX-UHFFFAOYSA-N 1 0 416.503 1.868 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)NC)C1 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HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000804218244 1074719106 /nfs/dbraw/zinc/71/91/06/1074719106.db2.gz QTGDUHIXESWDAP-XLAORIBOSA-N 1 0 424.586 1.985 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)CCN2C1=O ZINC000675105510 1074721041 /nfs/dbraw/zinc/72/10/41/1074721041.db2.gz OWDCDMSNNHYAJS-VYDXJSESSA-N 1 0 419.551 1.809 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000477029592 1074722970 /nfs/dbraw/zinc/72/29/70/1074722970.db2.gz BXVZSHLVTHDDPS-QGZVFWFLSA-N 1 0 402.539 1.596 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000477031473 1074731749 /nfs/dbraw/zinc/73/17/49/1074731749.db2.gz HQPJYLLDVAJLDZ-HNNXBMFYSA-N 1 0 408.930 1.471 20 0 HDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000766092601 1074734436 /nfs/dbraw/zinc/73/44/36/1074734436.db2.gz BPZXORANZSXTJJ-NSHDSACASA-N 1 0 404.383 1.421 20 0 HDADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1=O ZINC000675129816 1074735546 /nfs/dbraw/zinc/73/55/46/1074735546.db2.gz UKNLWRRMGYZHDU-IAGOWNOFSA-N 1 0 414.506 1.004 20 0 HDADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1=O ZINC000675129815 1074735585 /nfs/dbraw/zinc/73/55/85/1074735585.db2.gz UKNLWRRMGYZHDU-DLBZAZTESA-N 1 0 414.506 1.004 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000477033399 1074736126 /nfs/dbraw/zinc/73/61/26/1074736126.db2.gz MQBOYPMIUFYTQG-LBPRGKRZSA-N 1 0 415.437 1.822 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)nn1[C@H](C)C1CC1 ZINC000542290867 1074737708 /nfs/dbraw/zinc/73/77/08/1074737708.db2.gz XTPOAEBELVHPKJ-HZPDHXFCSA-N 1 0 403.527 1.718 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)nn1-c1ccc(F)cc1F ZINC000568134816 1074741371 /nfs/dbraw/zinc/74/13/71/1074741371.db2.gz JMLYQKAPXSRGCN-UHFFFAOYSA-N 1 0 417.460 2.388 20 0 HDADRO Cc1nc(-c2ccccc2)[nH]c1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000675143790 1074742362 /nfs/dbraw/zinc/74/23/62/1074742362.db2.gz DHHAIPIHNOAGJU-QGZVFWFLSA-N 1 0 404.536 1.966 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000675160727 1074748239 /nfs/dbraw/zinc/74/82/39/1074748239.db2.gz BLDQCJSBUHFKLZ-KRWDZBQOSA-N 1 0 423.583 1.619 20 0 HDADRO COC(=O)c1ccc2c(c1)nc(C)n(C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)c2=O ZINC000142680314 1074749599 /nfs/dbraw/zinc/74/95/99/1074749599.db2.gz WALQVFCKSWYDJX-IBGZPJMESA-N 1 0 407.470 1.911 20 0 HDADRO Cc1c(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000675188289 1074752150 /nfs/dbraw/zinc/75/21/50/1074752150.db2.gz JJKLZSFFYMNHMF-PKOBYXMFSA-N 1 0 408.506 1.447 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)/C=C\c3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000766097533 1074753714 /nfs/dbraw/zinc/75/37/14/1074753714.db2.gz MGBQSUUGHZLJAF-ODCSTRKQSA-N 1 0 424.545 1.732 20 0 HDADRO CCO[C@H](C)c1noc(CN2CCN(C(=O)N[C@@H](CC)C[NH+]3CCCC3)CC2)n1 ZINC000675200518 1074756079 /nfs/dbraw/zinc/75/60/79/1074756079.db2.gz UUCAEXNCOZLFRH-SJORKVTESA-N 1 0 408.547 1.869 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000477054553 1074758678 /nfs/dbraw/zinc/75/86/78/1074758678.db2.gz FUMVSNWMFPUQSF-QFBILLFUSA-N 1 0 408.518 1.162 20 0 HDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc4c(c3)S(=O)(=O)N(C3CC3)C4=O)CC[C@@H]21 ZINC000766098471 1074765047 /nfs/dbraw/zinc/76/50/47/1074765047.db2.gz QZTICIXHHQPZLW-YOEHRIQHSA-N 1 0 403.504 1.550 20 0 HDADRO CN(C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000675261191 1074772834 /nfs/dbraw/zinc/77/28/34/1074772834.db2.gz JLVNOUNZYASXPF-UHFFFAOYSA-N 1 0 412.556 1.905 20 0 HDADRO CCc1ccc(C(=O)N2CC[N@@H+](CC)C[C@@H]2CC)cc1S(=O)(=O)N1CCOCC1 ZINC001128974103 1074774741 /nfs/dbraw/zinc/77/47/41/1074774741.db2.gz CXSIHABXFSRFQZ-IBGZPJMESA-N 1 0 423.579 1.826 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000477079619 1074781996 /nfs/dbraw/zinc/78/19/96/1074781996.db2.gz BBWIUDFCGPWCTR-DQLDELGASA-N 1 0 416.566 1.936 20 0 HDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 ZINC000675290923 1074782480 /nfs/dbraw/zinc/78/24/80/1074782480.db2.gz FHORCWHLIYRHBK-ZWKOTPCHSA-N 1 0 404.486 1.032 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000477081319 1074788006 /nfs/dbraw/zinc/78/80/06/1074788006.db2.gz LIHTUWAEFHQNMG-LPHOPBHVSA-N 1 0 424.973 1.676 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000477081318 1074788206 /nfs/dbraw/zinc/78/82/06/1074788206.db2.gz LIHTUWAEFHQNMG-APWZRJJASA-N 1 0 424.973 1.676 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675295056 1074789536 /nfs/dbraw/zinc/78/95/36/1074789536.db2.gz JAQGBKHHPYDBSM-BBRMVZONSA-N 1 0 408.449 1.177 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675295059 1074789748 /nfs/dbraw/zinc/78/97/48/1074789748.db2.gz JAQGBKHHPYDBSM-XJKSGUPXSA-N 1 0 408.449 1.177 20 0 HDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000675306992 1074795525 /nfs/dbraw/zinc/79/55/25/1074795525.db2.gz DENOHTBDUUCUAJ-YJBOKZPZSA-N 1 0 420.941 1.798 20 0 HDADRO O=C(NCc1ccc(-n2ccnc2)c(F)c1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507175995 1074802891 /nfs/dbraw/zinc/80/28/91/1074802891.db2.gz GCKDRBHTPMYBIE-UHFFFAOYSA-N 1 0 405.393 1.847 20 0 HDADRO CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427250844 1074803748 /nfs/dbraw/zinc/80/37/48/1074803748.db2.gz VASZZSRRUHBCJF-IRXDYDNUSA-N 1 0 405.543 2.140 20 0 HDADRO CCC1(CC)[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)[C@H]1OC ZINC000427298412 1074804299 /nfs/dbraw/zinc/80/42/99/1074804299.db2.gz CFUZJSDVYJOBEJ-ZTFGCOKTSA-N 1 0 405.543 2.044 20 0 HDADRO COc1ccccc1CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000670503364 1074817593 /nfs/dbraw/zinc/81/75/93/1074817593.db2.gz MXMJQWFDNLLJRW-NRFANRHFSA-N 1 0 424.545 1.759 20 0 HDADRO CC(C)N1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2S1(=O)=O ZINC000766114365 1074821295 /nfs/dbraw/zinc/82/12/95/1074821295.db2.gz SSXWCZHEJRXIRM-WBVHZDCISA-N 1 0 405.520 1.796 20 0 HDADRO COC(=O)c1ccc(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1Cl ZINC000590609135 1075093989 /nfs/dbraw/zinc/09/39/89/1075093989.db2.gz UENWWBWSOFWVID-UHFFFAOYSA-N 1 0 419.869 2.167 20 0 HDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000521292501 1075096968 /nfs/dbraw/zinc/09/69/68/1075096968.db2.gz QBPFYAOKUXMADB-GOSISDBHSA-N 1 0 420.558 1.903 20 0 HDADRO C[NH+](C)CCOc1ccccc1N1CCN(Cc2nnnn2CC(F)(F)F)CC1 ZINC000429336929 1075103820 /nfs/dbraw/zinc/10/38/20/1075103820.db2.gz WZQXGERZPAJKFS-UHFFFAOYSA-N 1 0 413.448 1.498 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000429338686 1075104391 /nfs/dbraw/zinc/10/43/91/1075104391.db2.gz YONUSIJVOQXZBM-ZDUSSCGKSA-N 1 0 415.416 1.379 20 0 HDADRO CN(C)C(=O)Cn1cc(NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000429337903 1075115403 /nfs/dbraw/zinc/11/54/03/1075115403.db2.gz ZTVCOTGWSQMAMI-OAQYLSRUSA-N 1 0 414.510 1.072 20 0 HDADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429249636 1075118360 /nfs/dbraw/zinc/11/83/60/1075118360.db2.gz SQIFOQHJGPENAF-OAHLLOKOSA-N 1 0 407.540 1.832 20 0 HDADRO CN(C(=O)C[N@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000041623624 1075118532 /nfs/dbraw/zinc/11/85/32/1075118532.db2.gz NCHUHNQFWIQXCM-UHFFFAOYSA-N 1 0 401.555 1.843 20 0 HDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC000041667565 1075121048 /nfs/dbraw/zinc/12/10/48/1075121048.db2.gz GMZWQLXGSFGVKR-UHFFFAOYSA-N 1 0 410.518 1.618 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cc(F)ccc3OC(F)F)CC2)C1 ZINC000675404671 1075129620 /nfs/dbraw/zinc/12/96/20/1075129620.db2.gz UWPSGJUHGMXBMN-AWEZNQCLSA-N 1 0 414.428 1.604 20 0 HDADRO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000675410757 1075132592 /nfs/dbraw/zinc/13/25/92/1075132592.db2.gz LREXWLUYDDDSQY-KGLIPLIRSA-N 1 0 404.467 1.026 20 0 HDADRO O=C(CCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000509334486 1075136637 /nfs/dbraw/zinc/13/66/37/1075136637.db2.gz LJYDXFQKDKJHKS-IBGZPJMESA-N 1 0 413.440 1.806 20 0 HDADRO COCCCS(=O)(=O)c1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000470436559 1075140962 /nfs/dbraw/zinc/14/09/62/1075140962.db2.gz DSYFAMKASFZVPQ-UHFFFAOYSA-N 1 0 409.512 1.899 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000509246304 1075149257 /nfs/dbraw/zinc/14/92/57/1075149257.db2.gz JHJSRAZCQCGLDD-UHFFFAOYSA-N 1 0 410.540 1.498 20 0 HDADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000670527115 1075151114 /nfs/dbraw/zinc/15/11/14/1075151114.db2.gz ZDNZGPAJEFPBKU-RBUKOAKNSA-N 1 0 406.571 1.080 20 0 HDADRO 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402.514 1.951 20 0 HDADRO CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000676722003 1075667943 /nfs/dbraw/zinc/66/79/43/1075667943.db2.gz URLGEHYHJBZKJA-UHFFFAOYSA-N 1 0 404.492 1.138 20 0 HDADRO O=C(CN1CCCC[C@@H]1CN1CCCC1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000732211930 1075668121 /nfs/dbraw/zinc/66/81/21/1075668121.db2.gz JFLAHOMJYFJOBZ-HXUWFJFHSA-N 1 0 420.598 1.615 20 0 HDADRO CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732214744 1075669885 /nfs/dbraw/zinc/66/98/85/1075669885.db2.gz VKJGAGJTZXBOMR-AVRDEDQJSA-N 1 0 413.522 1.129 20 0 HDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CN(C)CCO1 ZINC000676740301 1075671937 /nfs/dbraw/zinc/67/19/37/1075671937.db2.gz UAPYBBZMRFMFSU-DFQSSKMNSA-N 1 0 416.566 1.239 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)CN(C3CC3)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000732203152 1075675678 /nfs/dbraw/zinc/67/56/78/1075675678.db2.gz NAHOICPMNXYEJX-HXUWFJFHSA-N 1 0 420.579 1.419 20 0 HDADRO CCOC(=O)C1=C(C[NH2+]C2(CO)CCOCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000732204859 1075675730 /nfs/dbraw/zinc/67/57/30/1075675730.db2.gz USEZVWOKVAWHIJ-KRWDZBQOSA-N 1 0 423.897 1.642 20 0 HDADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001545675297 1075677944 /nfs/dbraw/zinc/67/79/44/1075677944.db2.gz VOFGEYGWYVASDK-YQVWRLOYSA-N 1 0 411.554 1.709 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc(CCNC(=O)OC(C)(C)C)cc1 ZINC000732245415 1075678979 /nfs/dbraw/zinc/67/89/79/1075678979.db2.gz UWOBOVKCSVQUGQ-IBGZPJMESA-N 1 0 419.570 1.799 20 0 HDADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000732223227 1075681561 /nfs/dbraw/zinc/68/15/61/1075681561.db2.gz PZOCFZQXMVCCFS-UHFFFAOYSA-N 1 0 413.521 1.100 20 0 HDADRO CCc1ccccc1Nc1nc(N)nc(C[N@H+](CC(C)(C)O)C2CCOCC2)n1 ZINC000533481845 1075683942 /nfs/dbraw/zinc/68/39/42/1075683942.db2.gz TWDILOFVXYLVGO-UHFFFAOYSA-N 1 0 400.527 1.934 20 0 HDADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000141615105 1075686210 /nfs/dbraw/zinc/68/62/10/1075686210.db2.gz XDWKGRUKTWXPDJ-QGZVFWFLSA-N 1 0 406.483 1.301 20 0 HDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000141701560 1075686864 /nfs/dbraw/zinc/68/68/64/1075686864.db2.gz IMEUPSTZSQBXDJ-AWEZNQCLSA-N 1 0 408.549 1.805 20 0 HDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000141701764 1075686878 /nfs/dbraw/zinc/68/68/78/1075686878.db2.gz IMEUPSTZSQBXDJ-CQSZACIVSA-N 1 0 408.549 1.805 20 0 HDADRO CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000429464701 1075691540 /nfs/dbraw/zinc/69/15/40/1075691540.db2.gz JTZGPRGUZXDUDL-MRXNPFEDSA-N 1 0 403.527 1.362 20 0 HDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000543582691 1075692863 /nfs/dbraw/zinc/69/28/63/1075692863.db2.gz WFLRTTJJFBQDAG-ZDUSSCGKSA-N 1 0 423.457 1.712 20 0 HDADRO CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000732287982 1075698926 /nfs/dbraw/zinc/69/89/26/1075698926.db2.gz KRXUWAXGJPQWHG-GOSISDBHSA-N 1 0 414.579 1.871 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000463264337 1075699626 /nfs/dbraw/zinc/69/96/26/1075699626.db2.gz GCOXLHLWZYTFRK-ZBFHGGJFSA-N 1 0 401.540 1.472 20 0 HDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C1 ZINC000485007005 1075701045 /nfs/dbraw/zinc/70/10/45/1075701045.db2.gz BJXVKUNZNOBYLC-KRWDZBQOSA-N 1 0 411.554 1.771 20 0 HDADRO CN(C)C(=O)Cn1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000562140817 1075701445 /nfs/dbraw/zinc/70/14/45/1075701445.db2.gz ZMYPBLBKGPRJKT-JOCHJYFZSA-N 1 0 410.522 2.101 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000509440750 1075711100 /nfs/dbraw/zinc/71/11/00/1075711100.db2.gz SXXIXKZASNWIGF-UHFFFAOYSA-N 1 0 405.586 1.583 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CCCC1 ZINC000559390893 1075717691 /nfs/dbraw/zinc/71/76/91/1075717691.db2.gz DEGNRASBIQRVMA-UHFFFAOYSA-N 1 0 415.460 2.009 20 0 HDADRO CN(C)C(=O)Cn1ccc(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC000491479514 1075720727 /nfs/dbraw/zinc/72/07/27/1075720727.db2.gz MAZQPFSQGRNJAT-UHFFFAOYSA-N 1 0 402.499 1.624 20 0 HDADRO Cc1ccccc1Nc1nc(N)nc(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000533308338 1075722044 /nfs/dbraw/zinc/72/20/44/1075722044.db2.gz AKFDARUPAXUWKI-SFHVURJKSA-N 1 0 410.570 1.528 20 0 HDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cccc(CNc3ccncn3)c2)CC1 ZINC000571722027 1075724600 /nfs/dbraw/zinc/72/46/00/1075724600.db2.gz VMEJFOFYDDKXPT-UHFFFAOYSA-N 1 0 410.522 1.619 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000429472663 1075724818 /nfs/dbraw/zinc/72/48/18/1075724818.db2.gz TVAKLSYHAUSUPV-KRWDZBQOSA-N 1 0 423.517 1.630 20 0 HDADRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)ccn1 ZINC000434889694 1075725529 /nfs/dbraw/zinc/72/55/29/1075725529.db2.gz SJXWDOUWDAJDFA-UHFFFAOYSA-N 1 0 415.494 2.097 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)n1 ZINC000437354473 1075728760 /nfs/dbraw/zinc/72/87/60/1075728760.db2.gz SHHXWRUCJXJYHM-UHFFFAOYSA-N 1 0 409.494 1.666 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(OCC3CCCCC3)CC2)n1 ZINC000532606664 1075728771 /nfs/dbraw/zinc/72/87/71/1075728771.db2.gz KAAMDPILRKDGCR-UHFFFAOYSA-N 1 0 405.543 1.971 20 0 HDADRO CCn1nc(C(=O)O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1=O ZINC000732372386 1075728739 /nfs/dbraw/zinc/72/87/39/1075728739.db2.gz UEGFUYIQCIKIIR-MRXNPFEDSA-N 1 0 412.490 1.589 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC2(Cc3ccc(Cl)cc3)CCC2)n1 ZINC000551043192 1075730953 /nfs/dbraw/zinc/73/09/53/1075730953.db2.gz ODRXRVCMQDHWPC-UHFFFAOYSA-N 1 0 403.914 2.318 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCn2ccc3cc(Cl)ccc32)n1 ZINC000506744791 1075731589 /nfs/dbraw/zinc/73/15/89/1075731589.db2.gz UCCIGQYWUDARGD-UHFFFAOYSA-N 1 0 402.886 1.808 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCOc2cccc(Cl)c2Cl)n1 ZINC000532997819 1075731641 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ZINC000733170033 1076000668 /nfs/dbraw/zinc/00/06/68/1076000668.db2.gz IZIMIRSEVODOQQ-GJZGRUSLSA-N 1 0 408.465 1.540 20 0 HDADRO CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001081101485 1076001359 /nfs/dbraw/zinc/00/13/59/1076001359.db2.gz BROADLFKAKZPRA-YENHRIDLSA-N 1 0 403.567 1.839 20 0 HDADRO CCN(CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081114970 1076002848 /nfs/dbraw/zinc/00/28/48/1076002848.db2.gz RFUPSHSUJAJNOK-RMMWZPCPSA-N 1 0 403.567 1.839 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)no1 ZINC000514015853 1076015222 /nfs/dbraw/zinc/01/52/22/1076015222.db2.gz PKZQGOBQAZRQLJ-DNVCBOLYSA-N 1 0 424.571 1.202 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)C2)no1 ZINC000514017292 1076015704 /nfs/dbraw/zinc/01/57/04/1076015704.db2.gz GFBGUSRIYNBGMF-SJLPKXTDSA-N 1 0 420.558 1.885 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C2)no1 ZINC000514020476 1076016016 /nfs/dbraw/zinc/01/60/16/1076016016.db2.gz OTLAGIGYIMZPFR-DLBZAZTESA-N 1 0 408.547 1.741 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)C2)no1 ZINC000514025274 1076016279 /nfs/dbraw/zinc/01/62/79/1076016279.db2.gz UYVFWTYSCBHPDV-UKPHBRMFSA-N 1 0 404.515 1.390 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H](C)C[N@@H+]3CCC[C@H](C)C3)C2)no1 ZINC000514026187 1076016650 /nfs/dbraw/zinc/01/66/50/1076016650.db2.gz DNIRPIJILXOWSN-XYJFISCASA-N 1 0 420.558 1.885 20 0 HDADRO COCc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@H](OC)C2)cc1 ZINC001081973379 1076021181 /nfs/dbraw/zinc/02/11/81/1076021181.db2.gz KZMQXUBYNAWTFY-WRTQPQOASA-N 1 0 404.507 1.200 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)CC1 ZINC000727031286 1076029173 /nfs/dbraw/zinc/02/91/73/1076029173.db2.gz PUQGSIJJJWICBX-QGZVFWFLSA-N 1 0 407.511 1.763 20 0 HDADRO CCOC(=O)N(C)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000727034648 1076029415 /nfs/dbraw/zinc/02/94/15/1076029415.db2.gz RBLCRDMTEFHPEX-KRWDZBQOSA-N 1 0 411.547 1.191 20 0 HDADRO COc1ccc(C)cc1NC(=O)[C@H](C)ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O ZINC000733306151 1076033956 /nfs/dbraw/zinc/03/39/56/1076033956.db2.gz GVGKZHJHJGALKT-ZDUSSCGKSA-N 1 0 415.494 1.827 20 0 HDADRO C[C@@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)N1c2ccccc2C[C@@H]1C ZINC000733305728 1076034308 /nfs/dbraw/zinc/03/43/08/1076034308.db2.gz CMPYYZZCEVLQHR-UONOGXRCSA-N 1 0 411.506 1.849 20 0 HDADRO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)C1 ZINC000727093346 1076043171 /nfs/dbraw/zinc/04/31/71/1076043171.db2.gz GYJFASRUYRPUHR-GOSISDBHSA-N 1 0 421.513 1.754 20 0 HDADRO CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)n(C)c1 ZINC000727096283 1076043356 /nfs/dbraw/zinc/04/33/56/1076043356.db2.gz OLBCQXHISFTBCB-UHFFFAOYSA-N 1 0 402.480 1.889 20 0 HDADRO 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O=C(COC(=O)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733423441 1076066569 /nfs/dbraw/zinc/06/65/69/1076066569.db2.gz JCAVKNWCYAIZIG-OAHLLOKOSA-N 1 0 412.533 1.152 20 0 HDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3cccn(C)c3=O)CC2)cc1 ZINC000733505227 1076085919 /nfs/dbraw/zinc/08/59/19/1076085919.db2.gz MIOVRVGKIRJNPW-UHFFFAOYSA-N 1 0 413.474 1.285 20 0 HDADRO C[C@H]1CN(C(=O)C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C[C@H](C)O1 ZINC000727323829 1076093179 /nfs/dbraw/zinc/09/31/79/1076093179.db2.gz PBVMFYLVEUILOY-GJZGRUSLSA-N 1 0 403.479 1.702 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)c1 ZINC000727334362 1076098793 /nfs/dbraw/zinc/09/87/93/1076098793.db2.gz YCVUCAGRMCBDTI-HSZRJFAPSA-N 1 0 409.486 1.766 20 0 HDADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000727398817 1076113329 /nfs/dbraw/zinc/11/33/29/1076113329.db2.gz HCKHHWDLLIQWSI-UHFFFAOYSA-N 1 0 415.515 1.941 20 0 HDADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)COC[C@@H]2CCCO2)CC1 ZINC000733594623 1076121252 /nfs/dbraw/zinc/12/12/52/1076121252.db2.gz GISURWIQFILTBX-FQEVSTJZSA-N 1 0 404.507 1.768 20 0 HDADRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)/C=C\c2cccc(Br)c2)CC1 ZINC000727452946 1076131624 /nfs/dbraw/zinc/13/16/24/1076131624.db2.gz RGVHVFZIMUVBLP-WDZFZDKYSA-N 1 0 416.341 1.455 20 0 HDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000733648369 1076140133 /nfs/dbraw/zinc/14/01/33/1076140133.db2.gz IFEHMSWIEPFXJA-RTWAWAEBSA-N 1 0 417.554 1.179 20 0 HDADRO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000733665478 1076145457 /nfs/dbraw/zinc/14/54/57/1076145457.db2.gz QBZUHKNZEFLTQN-OAHLLOKOSA-N 1 0 411.524 1.036 20 0 HDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1 ZINC000733669943 1076151946 /nfs/dbraw/zinc/15/19/46/1076151946.db2.gz NJMXSPSBGUNDHJ-QGZVFWFLSA-N 1 0 414.506 1.968 20 0 HDADRO CO[C@H](CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C(F)(F)F ZINC000733672920 1076155453 /nfs/dbraw/zinc/15/54/53/1076155453.db2.gz APANVIGNRIRZIX-OAHLLOKOSA-N 1 0 402.417 1.066 20 0 HDADRO COC[C@@H](C)NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727607660 1076179097 /nfs/dbraw/zinc/17/90/97/1076179097.db2.gz PNQJLGSCGHARER-MRXNPFEDSA-N 1 0 404.511 1.981 20 0 HDADRO CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)cn1 ZINC000727610329 1076180058 /nfs/dbraw/zinc/18/00/58/1076180058.db2.gz JWQAVOXQSNIMAC-UHFFFAOYSA-N 1 0 421.498 1.596 20 0 HDADRO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1cccc(NS(C)(=O)=O)c1)C(F)(F)F ZINC000727645619 1076199297 /nfs/dbraw/zinc/19/92/97/1076199297.db2.gz VRUIMPCOODRIJJ-HNNXBMFYSA-N 1 0 406.430 1.721 20 0 HDADRO COCC[N@@H+](CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)CC(C)C ZINC000733793532 1076199838 /nfs/dbraw/zinc/19/98/38/1076199838.db2.gz HNLDIHUQUWRSNC-HXUWFJFHSA-N 1 0 406.483 1.098 20 0 HDADRO CC(C)N1C(=O)c2ccc(C(=O)NCC3([NH+](C)C)CCOCC3)cc2S1(=O)=O ZINC000733809502 1076210677 /nfs/dbraw/zinc/21/06/77/1076210677.db2.gz SCYWBYHHLQHQNX-UHFFFAOYSA-N 1 0 409.508 1.080 20 0 HDADRO C[NH+](C)C1(CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CCOCC1 ZINC000733809255 1076211212 /nfs/dbraw/zinc/21/12/12/1076211212.db2.gz DRIDGSWIORLQEP-UHFFFAOYSA-N 1 0 424.548 1.139 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCc2oncc2C1 ZINC001545676868 1076213609 /nfs/dbraw/zinc/21/36/09/1076213609.db2.gz LWMPTYUCYZZDHH-OAHLLOKOSA-N 1 0 401.515 1.682 20 0 HDADRO C[C@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[N@H+](C)C1CC1 ZINC000727742476 1076216449 /nfs/dbraw/zinc/21/64/49/1076216449.db2.gz RULMWUJZABMAAM-CZUORRHYSA-N 1 0 421.519 1.223 20 0 HDADRO C[C@H]1C[NH+](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)C[C@H](C)O1 ZINC000727765821 1076219826 /nfs/dbraw/zinc/21/98/26/1076219826.db2.gz IWIZUAVJJWCCNR-XEYPJELSSA-N 1 0 419.522 1.374 20 0 HDADRO CCN(CC)S(=O)(=O)N1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000733873894 1076226437 /nfs/dbraw/zinc/22/64/37/1076226437.db2.gz GVEDJSWLWATGPP-UHFFFAOYSA-N 1 0 422.551 1.839 20 0 HDADRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753122 1076226442 /nfs/dbraw/zinc/22/64/42/1076226442.db2.gz LOUBSABFURINDY-WMLDXEAASA-N 1 0 406.533 1.731 20 0 HDADRO COc1ccc(OC)c([C@@H](O)CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000733850495 1076227347 /nfs/dbraw/zinc/22/73/47/1076227347.db2.gz OXNLGIJFGWRBCJ-INIZCTEOSA-N 1 0 411.418 1.073 20 0 HDADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)Cc1ccccc1 ZINC000727754575 1076227420 /nfs/dbraw/zinc/22/74/20/1076227420.db2.gz FEJYCSUVCPRURG-PXNSSMCTSA-N 1 0 416.547 1.786 20 0 HDADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000733854005 1076230335 /nfs/dbraw/zinc/23/03/35/1076230335.db2.gz ONKOSZPURWNFIJ-IAGOWNOFSA-N 1 0 411.510 1.714 20 0 HDADRO C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000727755820 1076230403 /nfs/dbraw/zinc/23/04/03/1076230403.db2.gz KCNOPQLVZZNUMR-OAHLLOKOSA-N 1 0 417.535 1.696 20 0 HDADRO O=C(NCc1cccc(N2CCOC2=O)c1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000733856813 1076233364 /nfs/dbraw/zinc/23/33/64/1076233364.db2.gz ZKIWKQOUVFRCLK-UHFFFAOYSA-N 1 0 406.402 1.479 20 0 HDADRO Cc1ccc(C2N=NC(=S)N2CC(=O)NCCCN2CCC[N@@H+](C)CC2)cc1 ZINC000733882316 1076238383 /nfs/dbraw/zinc/23/83/83/1076238383.db2.gz GYAXETMVZAQNDI-UHFFFAOYSA-N 1 0 402.568 1.686 20 0 HDADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)Nc3cnn(C(C)(C)C)c3)CC2)C[C@H](C)O1 ZINC000532598255 1076238573 /nfs/dbraw/zinc/23/85/73/1076238573.db2.gz HLOSWUKLSJQYRX-IYBDPMFKSA-N 1 0 405.543 1.924 20 0 HDADRO CC(C)C[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Br)[NH+](C)C ZINC000733884242 1076239432 /nfs/dbraw/zinc/23/94/32/1076239432.db2.gz NQOFSWOOQJASOW-LLVKDONJSA-N 1 0 406.346 1.803 20 0 HDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1Br ZINC000733884238 1076239484 /nfs/dbraw/zinc/23/94/84/1076239484.db2.gz REZNTPCGRWTWBG-GFCCVEGCSA-N 1 0 418.357 1.723 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)C2)no1 ZINC000533127675 1076241638 /nfs/dbraw/zinc/24/16/38/1076241638.db2.gz QGZHJSCCPNIEJN-IRXDYDNUSA-N 1 0 406.531 1.495 20 0 HDADRO CC(C)Cn1nccc1NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000533456625 1076243380 /nfs/dbraw/zinc/24/33/80/1076243380.db2.gz OGXDVNJUCFULCU-CALCHBBNSA-N 1 0 405.543 1.825 20 0 HDADRO C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000733888545 1076250289 /nfs/dbraw/zinc/25/02/89/1076250289.db2.gz GEZDXAJBCYUPKK-KKSFZXQISA-N 1 0 417.531 1.872 20 0 HDADRO CN(c1ncnc2c1c(Br)nn2C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000733893540 1076254867 /nfs/dbraw/zinc/25/48/67/1076254867.db2.gz BMCHPRGXFHHYIJ-CYBMUJFWSA-N 1 0 408.348 1.731 20 0 HDADRO CN1Cc2ccccc2[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000536050956 1076255256 /nfs/dbraw/zinc/25/52/56/1076255256.db2.gz TXVVREQZWZNFIH-FCHUYYIVSA-N 1 0 423.561 1.761 20 0 HDADRO CCOC(=O)N1CCN(C(=O)C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000733896560 1076256817 /nfs/dbraw/zinc/25/68/17/1076256817.db2.gz IUFVPHSPGSKKKL-FQEVSTJZSA-N 1 0 414.547 1.816 20 0 HDADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000536858709 1076256852 /nfs/dbraw/zinc/25/68/52/1076256852.db2.gz OTUCXIJMTFOUNN-KRWDZBQOSA-N 1 0 415.556 1.994 20 0 HDADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000733897023 1076258149 /nfs/dbraw/zinc/25/81/49/1076258149.db2.gz HUVGFMFLOZCIEF-XMMPIXPASA-N 1 0 424.545 1.992 20 0 HDADRO O=S(=O)(NCC[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000733898343 1076259008 /nfs/dbraw/zinc/25/90/08/1076259008.db2.gz QXCNQTDSMYXDIL-NRFANRHFSA-N 1 0 403.548 1.582 20 0 HDADRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCCOC(=O)NC(N)=O)C2)cc1 ZINC000733899037 1076260083 /nfs/dbraw/zinc/26/00/83/1076260083.db2.gz YNZMNJDVSXLENK-OAHLLOKOSA-N 1 0 412.512 1.180 20 0 HDADRO CC(C)[NH+]1CCC(NC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)CC1 ZINC000733903028 1076261946 /nfs/dbraw/zinc/26/19/46/1076261946.db2.gz GDEGVPCJUIKBKQ-HXUWFJFHSA-N 1 0 408.449 1.721 20 0 HDADRO O=C(CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)NCc1ccccn1 ZINC000727829993 1076263583 /nfs/dbraw/zinc/26/35/83/1076263583.db2.gz QEJDAUKGAMLPJA-FQEVSTJZSA-N 1 0 408.550 1.627 20 0 HDADRO C[N@@H+](Cc1ccccc1)CC1CCN(CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000727822722 1076267770 /nfs/dbraw/zinc/26/77/70/1076267770.db2.gz LMNPLASFTDAYNN-UHFFFAOYSA-N 1 0 400.523 1.889 20 0 HDADRO CC(C)[N@@H+]1CCCN(Cn2nc(N3CCOCC3)n(C[C@H]3CCCO3)c2=S)CC1 ZINC000727823181 1076268010 /nfs/dbraw/zinc/26/80/10/1076268010.db2.gz CPHHYZVAAMSWPS-GOSISDBHSA-N 1 0 424.615 1.803 20 0 HDADRO O=C(CCn1cc[nH]c(=O)c1=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000727853865 1076272695 /nfs/dbraw/zinc/27/26/95/1076272695.db2.gz REPWOFOSXBWVJS-UHFFFAOYSA-N 1 0 413.478 1.380 20 0 HDADRO C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)c2ccccc2)CC1 ZINC000727860207 1076274760 /nfs/dbraw/zinc/27/47/60/1076274760.db2.gz XOWKSSRAVHHEJA-ULQDDVLXSA-N 1 0 412.456 1.548 20 0 HDADRO C[NH+](C)C[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1 ZINC000733980515 1076281477 /nfs/dbraw/zinc/28/14/77/1076281477.db2.gz MNDBFWMSTKDHTP-CQSZACIVSA-N 1 0 414.959 1.546 20 0 HDADRO COc1cccc(/C=C(\C(=O)NCC2([NH+](C)C)CCOCC2)n2nnnc2C)c1 ZINC000733980325 1076281543 /nfs/dbraw/zinc/28/15/43/1076281543.db2.gz CVWMDXLUYRBPOA-QGOAFFKASA-N 1 0 400.483 1.215 20 0 HDADRO C[NH+](C)C[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1 ZINC000733980514 1076281582 /nfs/dbraw/zinc/28/15/82/1076281582.db2.gz MNDBFWMSTKDHTP-AWEZNQCLSA-N 1 0 414.959 1.546 20 0 HDADRO C[NH+](C)C[C@@H]1CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000733979963 1076281801 /nfs/dbraw/zinc/28/18/01/1076281801.db2.gz DXSUYAAFVOYDHV-HNNXBMFYSA-N 1 0 404.536 1.258 20 0 HDADRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000734002265 1076288607 /nfs/dbraw/zinc/28/86/07/1076288607.db2.gz KKWFAVNOFBXVFN-OAQYLSRUSA-N 1 0 410.559 1.596 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCCOc3cccnc3)c2)C1 ZINC000734010739 1076289303 /nfs/dbraw/zinc/28/93/03/1076289303.db2.gz ICMYXALUPHCXFN-LJQANCHMSA-N 1 0 411.506 1.657 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@](C)(O)c2ccc(F)cc2F)CC1 ZINC000734012802 1076289738 /nfs/dbraw/zinc/28/97/38/1076289738.db2.gz MGAAJAUEFPAPKL-FQEVSTJZSA-N 1 0 412.481 1.414 20 0 HDADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCCS(=O)(=O)CC)CC1 ZINC000727941948 1076292217 /nfs/dbraw/zinc/29/22/17/1076292217.db2.gz NCTWYIGYALJALI-HNNXBMFYSA-N 1 0 414.547 1.763 20 0 HDADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)CC1 ZINC000727952520 1076296317 /nfs/dbraw/zinc/29/63/17/1076296317.db2.gz NPUJBKQURMGZMT-UHFFFAOYSA-N 1 0 400.479 1.611 20 0 HDADRO CCCOC(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000728060062 1076314377 /nfs/dbraw/zinc/31/43/77/1076314377.db2.gz NPPBHYDGCVEXSA-MRXNPFEDSA-N 1 0 411.524 1.119 20 0 HDADRO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCO[C@@H]2C[N@H+](CCCc3ccccc3)C[C@@H]21 ZINC001083151320 1076316791 /nfs/dbraw/zinc/31/67/91/1076316791.db2.gz ULCRERAIVXTUIS-RTOMLYRKSA-N 1 0 400.519 1.582 20 0 HDADRO O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000728052648 1076320011 /nfs/dbraw/zinc/32/00/11/1076320011.db2.gz ABZKGSPDQBVQOW-IBGZPJMESA-N 1 0 407.555 1.713 20 0 HDADRO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000728053054 1076321319 /nfs/dbraw/zinc/32/13/19/1076321319.db2.gz GKRIDEQAWHWFSK-RXVVDRJESA-N 1 0 417.550 1.608 20 0 HDADRO CC(C)(O)C[NH+]1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000728054594 1076321985 /nfs/dbraw/zinc/32/19/85/1076321985.db2.gz RNVWILRQLSKZEN-UHFFFAOYSA-N 1 0 405.467 1.010 20 0 HDADRO CC(=O)[C@@H]1CC(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)=NN1c1ccccc1 ZINC000728073101 1076333931 /nfs/dbraw/zinc/33/39/31/1076333931.db2.gz PUTIORJDNRJGLM-UXHICEINSA-N 1 0 413.522 1.269 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)C1 ZINC000728078319 1076334751 /nfs/dbraw/zinc/33/47/51/1076334751.db2.gz YNYSUBSHWGAQJM-CYBMUJFWSA-N 1 0 405.499 1.617 20 0 HDADRO CCOc1ccc(N2C[C@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cc1 ZINC000728078111 1076334885 /nfs/dbraw/zinc/33/48/85/1076334885.db2.gz STKMZFALZWLBDV-IAGOWNOFSA-N 1 0 416.522 1.142 20 0 HDADRO CCc1noc2ncc(C(=O)OCC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc12 ZINC000728103645 1076340649 /nfs/dbraw/zinc/34/06/49/1076340649.db2.gz QOAFNXKQUWNODO-OAHLLOKOSA-N 1 0 404.467 1.415 20 0 HDADRO O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000728144598 1076344021 /nfs/dbraw/zinc/34/40/21/1076344021.db2.gz ZASAWMPVRGCRCC-QGZVFWFLSA-N 1 0 404.486 1.688 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@](N)(c2cccc(F)c2)C(F)(F)F)CC1 ZINC000497568087 1076352333 /nfs/dbraw/zinc/35/23/33/1076352333.db2.gz PPSQWWFNKJOHCX-GOSISDBHSA-N 1 0 418.435 1.601 20 0 HDADRO COc1cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc(OC)c1OCC(N)=O ZINC000027399543 1076360166 /nfs/dbraw/zinc/36/01/66/1076360166.db2.gz CLDQMWGQCRJBSO-UHFFFAOYSA-N 1 0 421.538 1.693 20 0 HDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)C1 ZINC000729984247 1076407521 /nfs/dbraw/zinc/40/75/21/1076407521.db2.gz YEDJGBKXZIMTMX-QGZVFWFLSA-N 1 0 422.485 1.932 20 0 HDADRO CCOCC[NH+]1CCN(CC2=C(C(=O)OCC)[C@H](c3ccccc3)NC(=O)N2)CC1 ZINC000729994853 1076410020 /nfs/dbraw/zinc/41/00/20/1076410020.db2.gz MBZWYXPXHAXQBP-FQEVSTJZSA-N 1 0 416.522 1.512 20 0 HDADRO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000730085099 1076432381 /nfs/dbraw/zinc/43/23/81/1076432381.db2.gz ATNKHAXOTZHJHY-AABGKKOBSA-N 1 0 414.506 1.242 20 0 HDADRO CCOc1ccc(N2C[C@H](C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2=O)cc1 ZINC000730083100 1076432384 /nfs/dbraw/zinc/43/23/84/1076432384.db2.gz BLCPOZRCGSZWTA-NSISKUIASA-N 1 0 401.507 1.496 20 0 HDADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000730093107 1076448657 /nfs/dbraw/zinc/44/86/57/1076448657.db2.gz YLRAADNOOCCRPU-SFHVURJKSA-N 1 0 418.538 1.994 20 0 HDADRO CC(=O)c1ccc(N2CCN(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000730134223 1076460366 /nfs/dbraw/zinc/46/03/66/1076460366.db2.gz SVFWILWDDXOKDC-MRXNPFEDSA-N 1 0 405.518 1.496 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000730227342 1076485144 /nfs/dbraw/zinc/48/51/44/1076485144.db2.gz CHMWXFZECANAOB-INIZCTEOSA-N 1 0 423.521 1.206 20 0 HDADRO O=C(C[NH+]1CCC(CCO)CC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000730260155 1076502083 /nfs/dbraw/zinc/50/20/83/1076502083.db2.gz BHBCSISFHFOVIW-RQZCQDPDSA-N 1 0 421.563 1.226 20 0 HDADRO CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000730264019 1076504750 /nfs/dbraw/zinc/50/47/50/1076504750.db2.gz KMYCFQYNQHDEFU-HZPDHXFCSA-N 1 0 410.559 1.691 20 0 HDADRO CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000730264017 1076504817 /nfs/dbraw/zinc/50/48/17/1076504817.db2.gz KMYCFQYNQHDEFU-CVEARBPZSA-N 1 0 410.559 1.691 20 0 HDADRO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000730266562 1076507907 /nfs/dbraw/zinc/50/79/07/1076507907.db2.gz YJHFUKDBVPLEBX-CABCVRRESA-N 1 0 410.559 1.724 20 0 HDADRO COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000730286736 1076514433 /nfs/dbraw/zinc/51/44/33/1076514433.db2.gz WQHDCCZTKPKHJU-OAHLLOKOSA-N 1 0 418.567 1.385 20 0 HDADRO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000730289973 1076515197 /nfs/dbraw/zinc/51/51/97/1076515197.db2.gz LPFMWBAHFVRAIY-BRHWKXANSA-N 1 0 408.612 1.730 20 0 HDADRO O=C(Nc1c(F)cccc1-n1cccn1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000730385630 1076566560 /nfs/dbraw/zinc/56/65/60/1076566560.db2.gz HYPLNFPSIXTDDW-UHFFFAOYSA-N 1 0 414.485 1.190 20 0 HDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000730559714 1076595097 /nfs/dbraw/zinc/59/50/97/1076595097.db2.gz JQDYTVQVFRRLLY-IRXDYDNUSA-N 1 0 412.600 1.925 20 0 HDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000730547742 1076598531 /nfs/dbraw/zinc/59/85/31/1076598531.db2.gz CDEYNHXRAYFYEV-JOCHJYFZSA-N 1 0 409.490 1.439 20 0 HDADRO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1 ZINC000730551450 1076599837 /nfs/dbraw/zinc/59/98/37/1076599837.db2.gz LLUWZCSOVIDBAE-UHFFFAOYSA-N 1 0 408.499 1.675 20 0 HDADRO CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000730561495 1076603044 /nfs/dbraw/zinc/60/30/44/1076603044.db2.gz GSYHDKMTDSBVQM-SFHVURJKSA-N 1 0 424.567 1.111 20 0 HDADRO Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000730561509 1076603773 /nfs/dbraw/zinc/60/37/73/1076603773.db2.gz GWTSWJBSNANILY-DXAMHKDYSA-N 1 0 409.538 1.608 20 0 HDADRO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000730780435 1076652574 /nfs/dbraw/zinc/65/25/74/1076652574.db2.gz QOXRJNJSCSHDFX-GFCCVEGCSA-N 1 0 416.341 1.797 20 0 HDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]2C[C@@H]2C)C1 ZINC000730789594 1076658834 /nfs/dbraw/zinc/65/88/34/1076658834.db2.gz PWOHHIQFBHRNHR-KKUMJFAQSA-N 1 0 405.495 1.749 20 0 HDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000730789718 1076659461 /nfs/dbraw/zinc/65/94/61/1076659461.db2.gz SJEFJVGENWSHQW-CQSZACIVSA-N 1 0 417.959 1.867 20 0 HDADRO CCN1C(=O)c2ccc(C(=O)NCC(C)(C)[NH+]3CCC(OC)CC3)cc2S1(=O)=O ZINC000730790029 1076659929 /nfs/dbraw/zinc/65/99/29/1076659929.db2.gz VEYADTRWRPZHNV-UHFFFAOYSA-N 1 0 423.535 1.470 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000730825968 1076663059 /nfs/dbraw/zinc/66/30/59/1076663059.db2.gz SYOAKRHAPLHGOW-GDBMZVCRSA-N 1 0 416.444 1.625 20 0 HDADRO C[N@@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)C[C@@H]1CCCOC1 ZINC000730808090 1076665814 /nfs/dbraw/zinc/66/58/14/1076665814.db2.gz BEKBKZNQGVVCNI-LAUBAEHRSA-N 1 0 402.495 1.319 20 0 HDADRO COCC[N@@H+]1CC[C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 ZINC000730841936 1076671102 /nfs/dbraw/zinc/67/11/02/1076671102.db2.gz SBFQZIXIRPLYRP-WMZHIEFXSA-N 1 0 424.501 1.444 20 0 HDADRO O=C(COC(=O)c1cc(F)ccc1N1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000730861779 1076676680 /nfs/dbraw/zinc/67/66/80/1076676680.db2.gz FXAAQXCBAILNQH-UHFFFAOYSA-N 1 0 405.470 1.562 20 0 HDADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)CC1 ZINC000730916269 1076690217 /nfs/dbraw/zinc/69/02/17/1076690217.db2.gz YWPDUIBDGRTVSB-UHFFFAOYSA-N 1 0 418.494 1.587 20 0 HDADRO CC[N@@H+]1CC[C@H](CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000730936558 1076696454 /nfs/dbraw/zinc/69/64/54/1076696454.db2.gz MMASGKFRKWBNAD-OAHLLOKOSA-N 1 0 404.536 1.306 20 0 HDADRO Cc1cc(C(=O)NC2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)c(C)o1 ZINC000730939241 1076698464 /nfs/dbraw/zinc/69/84/64/1076698464.db2.gz AYSZLWHBGRCDJT-UHFFFAOYSA-N 1 0 405.520 1.981 20 0 HDADRO COC(=O)CCCNC(=S)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000730949328 1076700121 /nfs/dbraw/zinc/70/01/21/1076700121.db2.gz CPSLAUNGOCNOIM-QGZVFWFLSA-N 1 0 406.552 1.301 20 0 HDADRO Cc1cc2nc(C)cc(C(=O)NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)n2n1 ZINC000730971183 1076701979 /nfs/dbraw/zinc/70/19/79/1076701979.db2.gz SLYDXQZHICSUNV-IBGZPJMESA-N 1 0 420.517 1.973 20 0 HDADRO COC(=O)N[C@H](C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1)C(C)C ZINC000730968426 1076703611 /nfs/dbraw/zinc/70/36/11/1076703611.db2.gz YOBJBRUNCXDGDH-SFHVURJKSA-N 1 0 404.511 1.746 20 0 HDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C ZINC000731007187 1076709174 /nfs/dbraw/zinc/70/91/74/1076709174.db2.gz IQHOVVUHNKIEFO-MCRQTXEHSA-N 1 0 400.483 1.215 20 0 HDADRO CC(C)(C)OC(=O)NCC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000731008935 1076710448 /nfs/dbraw/zinc/71/04/48/1076710448.db2.gz XOFUHPFOKZTACB-QGZVFWFLSA-N 1 0 404.511 1.525 20 0 HDADRO Cc1cc(NC(=O)CON=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000731027865 1076713338 /nfs/dbraw/zinc/71/33/38/1076713338.db2.gz ATBPPGLMWSCZAD-UHFFFAOYSA-N 1 0 400.483 1.628 20 0 HDADRO CSCC[C@@H]1NC(=S)N(Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1=O ZINC000731041756 1076716898 /nfs/dbraw/zinc/71/68/98/1076716898.db2.gz UKIHMYVZABWZNC-SJORKVTESA-N 1 0 420.604 1.722 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000731159062 1076739218 /nfs/dbraw/zinc/73/92/18/1076739218.db2.gz CKHLZCVNODDKRX-IPMKNSEASA-N 1 0 409.644 1.658 20 0 HDADRO C[NH+]1CCC(NC(=S)N2CCN(CCNC(=O)c3ccccc3F)CC2)CC1 ZINC000731160726 1076739557 /nfs/dbraw/zinc/73/95/57/1076739557.db2.gz VVQYHKFHZRVWIJ-UHFFFAOYSA-N 1 0 407.559 1.142 20 0 HDADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000731160240 1076739590 /nfs/dbraw/zinc/73/95/90/1076739590.db2.gz NDIDRQHNFPJTAH-QZTJIDSGSA-N 1 0 411.660 1.761 20 0 HDADRO Cn1cc(/C=C\C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)c(=O)n(C)c1=O ZINC000731198830 1076751536 /nfs/dbraw/zinc/75/15/36/1076751536.db2.gz IWNNJSQMIXECCS-HJWRWDBZSA-N 1 0 418.538 1.027 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc3cccnc3c2N)C1 ZINC000731246668 1076768536 /nfs/dbraw/zinc/76/85/36/1076768536.db2.gz TXZUCNFMMCBMSD-INIZCTEOSA-N 1 0 400.479 1.447 20 0 HDADRO NS(=O)(=O)c1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)co1 ZINC001473641208 1126198156 /nfs/dbraw/zinc/19/81/56/1126198156.db2.gz IVJRZPZIXICKMQ-INIZCTEOSA-N 1 0 415.309 1.699 20 0 HDADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001164390075 718824177 /nfs/dbraw/zinc/82/41/77/718824177.db2.gz LSDYMAHGSXSPLU-RFUYNDQBSA-N 1 0 424.908 1.560 20 0 HDADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[NH2+]C[C@]2(CO)C1 ZINC001164408700 718851297 /nfs/dbraw/zinc/85/12/97/718851297.db2.gz SPPRIIYNWPZBCS-MEDUHNTESA-N 1 0 402.829 1.260 20 0 HDADRO COc1ccccc1-c1cc(C(F)(F)N2CCNC(=O)C23C[NH2+]C3)c(Cl)nn1 ZINC001164413815 718879539 /nfs/dbraw/zinc/87/95/39/718879539.db2.gz NWFZEAIGHINCSD-UHFFFAOYSA-N 1 0 409.824 1.629 20 0 HDADRO 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COc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(S(C)(=O)=O)n1 ZINC001164623654 719079819 /nfs/dbraw/zinc/07/98/19/719079819.db2.gz KDQZNJWVFHBDIR-IRXDYDNUSA-N 1 0 402.520 1.990 20 0 HDADRO COCCN1CCN(C)C2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)C1=O ZINC001164639156 719279744 /nfs/dbraw/zinc/27/97/44/719279744.db2.gz IRIKPBBSJQLNDE-UHFFFAOYSA-N 1 0 401.555 1.437 20 0 HDADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC001164668922 719375026 /nfs/dbraw/zinc/37/50/26/719375026.db2.gz OWBFOXIBDGFGLF-MSOLQXFVSA-N 1 0 413.503 1.496 20 0 HDADRO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)nc2N1C1CCCC1 ZINC001164667656 719393441 /nfs/dbraw/zinc/39/34/41/719393441.db2.gz OJQBKBHHYYYXSL-KBAYOESNSA-N 1 0 400.527 1.500 20 0 HDADRO CCN(CC)S(=O)(=O)c1ccc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc1 ZINC001164680578 719638716 /nfs/dbraw/zinc/63/87/16/719638716.db2.gz WQFGEHNFQBDPDO-UHFFFAOYSA-N 1 0 420.583 1.784 20 0 HDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(-c3ccccc3)nc(N(C)C)n1)CC2 ZINC001164687321 719725303 /nfs/dbraw/zinc/72/53/03/719725303.db2.gz VZGKBQOLORSRRI-UHFFFAOYSA-N 1 0 409.538 1.785 20 0 HDADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)cc1C(N)=O)CC2 ZINC001164687618 719738083 /nfs/dbraw/zinc/73/80/83/719738083.db2.gz ZVAOSQPAJFLVFV-UHFFFAOYSA-N 1 0 415.872 1.560 20 0 HDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncccc1C(=O)Nc1cc(C)on1)CC2 ZINC001164689841 719739473 /nfs/dbraw/zinc/73/94/73/719739473.db2.gz LKGAELLOYCPZTM-UHFFFAOYSA-N 1 0 412.494 1.811 20 0 HDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CC2 ZINC001164690126 719756176 /nfs/dbraw/zinc/75/61/76/719756176.db2.gz UCNCYEWQGKTPJG-AWEZNQCLSA-N 1 0 409.918 1.479 20 0 HDADRO C[N@H+](Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)nc1)C1CC1 ZINC001164701606 719884642 /nfs/dbraw/zinc/88/46/42/719884642.db2.gz NWDXAYNQCKYEKP-NEWSRXKRSA-N 1 0 408.506 1.803 20 0 HDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)N3CCOCC3)cn1)C2 ZINC001164813184 720075721 /nfs/dbraw/zinc/07/57/21/720075721.db2.gz SXIDBRNHDFCFBZ-OFNKIYASSA-N 1 0 414.550 1.739 20 0 HDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)C2 ZINC001164814141 720096454 /nfs/dbraw/zinc/09/64/54/720096454.db2.gz VOLCLEXMMKCYBX-YWZLYKJASA-N 1 0 419.551 1.546 20 0 HDADRO COC(=O)c1cccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164712981 720167793 /nfs/dbraw/zinc/16/77/93/720167793.db2.gz IZJRSFLONVCTLA-KRWDZBQOSA-N 1 0 400.483 1.213 20 0 HDADRO Cn1nnc2c1CCN(c1ncc(Cl)cc1C(N)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001164715582 720170319 /nfs/dbraw/zinc/17/03/19/720170319.db2.gz UUTNHIRWRZTZKP-INIZCTEOSA-N 1 0 419.917 1.179 20 0 HDADRO COC(=O)c1cccnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164712361 720171964 /nfs/dbraw/zinc/17/19/64/720171964.db2.gz FXNVEZZTNYJLRV-QGZVFWFLSA-N 1 0 400.483 1.213 20 0 HDADRO CCOC(=O)c1cccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164715928 720176484 /nfs/dbraw/zinc/17/64/84/720176484.db2.gz DRTCBDKTCMCJEI-GOSISDBHSA-N 1 0 414.510 1.603 20 0 HDADRO COc1nc(Cl)nc(C)c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718343 720182136 /nfs/dbraw/zinc/18/21/36/720182136.db2.gz OVZYUDKHSQUKOF-OAHLLOKOSA-N 1 0 421.933 1.792 20 0 HDADRO COc1cccc2cnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc21 ZINC001164715941 720184046 /nfs/dbraw/zinc/18/40/46/720184046.db2.gz FAJJIBFHTAHEOV-SFHVURJKSA-N 1 0 423.521 1.983 20 0 HDADRO CC(C)COc1nccnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164714970 720202011 /nfs/dbraw/zinc/20/20/11/720202011.db2.gz HWBXSUNOFGQFSB-SFHVURJKSA-N 1 0 415.542 1.856 20 0 HDADRO Cn1nnc2c1CCN(c1c(Cl)nccc1C(N)=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717187 720203323 /nfs/dbraw/zinc/20/33/23/720203323.db2.gz UMXWLGXQWTYZBC-OAHLLOKOSA-N 1 0 419.917 1.179 20 0 HDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(Cl)cc1C(N)=O)CCC2 ZINC001164815247 720213689 /nfs/dbraw/zinc/21/36/89/720213689.db2.gz XVLJSVPJARFJTJ-UHFFFAOYSA-N 1 0 404.902 1.641 20 0 HDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1C(C)(C)C(=O)N3)CCC2 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C[NH+]1CCN(c2cccc(N3CCC4(C[C@@H](c5ccncc5)C(=O)N4)CC3)n2)CC1 ZINC001164897362 721504532 /nfs/dbraw/zinc/50/45/32/721504532.db2.gz LIRBVSIERNAPBN-IBGZPJMESA-N 1 0 406.534 1.871 20 0 HDADRO COC(=O)c1cc(Cl)cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164794121 721510642 /nfs/dbraw/zinc/51/06/42/721510642.db2.gz GNCJRONWWFEBSE-UHFFFAOYSA-N 1 0 404.902 1.486 20 0 HDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nnc(Cl)c4c2CCCC4)CC3)CC1 ZINC001164794547 721512769 /nfs/dbraw/zinc/51/27/69/721512769.db2.gz RTFACKZSCKQHON-UHFFFAOYSA-N 1 0 401.946 1.973 20 0 HDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(NC(=O)C(C)(C)C)nn2)CC3)CC1 ZINC001164794858 721512984 /nfs/dbraw/zinc/51/29/84/721512984.db2.gz XIRYWVWMSZBGFY-UHFFFAOYSA-N 1 0 412.542 1.425 20 0 HDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(C(=O)NC(C)(C)C)ccn2)CC3)CC1 ZINC001164797715 721516335 /nfs/dbraw/zinc/51/63/35/721516335.db2.gz LNLIMKZCNXQEMT-UHFFFAOYSA-N 1 0 411.554 1.574 20 0 HDADRO CCOC(=O)c1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ccc1Cl ZINC001164796871 721517111 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COC(=O)c1cccc2nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)ncc21 ZINC001165011949 721735169 /nfs/dbraw/zinc/73/51/69/721735169.db2.gz YSCHFOVEEAZYFB-UHFFFAOYSA-N 1 0 411.506 1.939 20 0 HDADRO COC(=O)c1cc2cnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc2n1C ZINC001165010275 721744441 /nfs/dbraw/zinc/74/44/41/721744441.db2.gz LHANRAZQPYTONE-UHFFFAOYSA-N 1 0 414.510 1.278 20 0 HDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(S(=O)(=O)NC3CC3)cn2)CC1 ZINC001165010888 721745243 /nfs/dbraw/zinc/74/52/43/721745243.db2.gz QLGNOUCLTXAINB-UHFFFAOYSA-N 1 0 421.567 1.045 20 0 HDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(C(=O)NC3CCCC3)nn2)CC1 ZINC001165012192 721746941 /nfs/dbraw/zinc/74/69/41/721746941.db2.gz BZPIQSSMCCGBPE-UHFFFAOYSA-N 1 0 414.554 1.672 20 0 HDADRO CCNC(=O)c1cc(Cl)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165012198 721750449 /nfs/dbraw/zinc/75/04/49/721750449.db2.gz CBKNQZGDUTYRLR-UHFFFAOYSA-N 1 0 408.934 1.403 20 0 HDADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)cn3)C[C@H]21 ZINC001165028884 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KJHDBJBJWMBQSP-RTBURBONSA-N 1 0 407.584 1.471 20 0 HDADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC001164932959 721878528 /nfs/dbraw/zinc/87/85/28/721878528.db2.gz KJHDBJBJWMBQSP-RBUKOAKNSA-N 1 0 407.584 1.471 20 0 HDADRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1 ZINC001164931491 721881501 /nfs/dbraw/zinc/88/15/01/721881501.db2.gz FTPNYRHPYKNDOL-SJORKVTESA-N 1 0 400.527 1.127 20 0 HDADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1c(Cl)nnc(Cl)c1N1CCOCC1 ZINC001164930021 721890803 /nfs/dbraw/zinc/89/08/03/721890803.db2.gz BGFCHPZZNMAFQL-KBPBESRZSA-N 1 0 415.369 1.835 20 0 HDADRO Cn1ccc(CN2CCOCC23CCN(c2nc(Cl)nc4c2CC[NH2+]C4)CC3)n1 ZINC001164933544 721903458 /nfs/dbraw/zinc/90/34/58/721903458.db2.gz OHIFIYUYWRILQZ-UHFFFAOYSA-N 1 0 417.945 1.381 20 0 HDADRO CC(=O)Oc1cc2ncnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2cc1OC(C)=O ZINC001165037069 721914416 /nfs/dbraw/zinc/91/44/16/721914416.db2.gz GJLTXTGRZDFMCQ-INIZCTEOSA-N 1 0 414.462 1.781 20 0 HDADRO 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402.499 1.647 20 0 HDADRO COCCn1ccc2c1ncnc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002873 722254097 /nfs/dbraw/zinc/25/40/97/722254097.db2.gz VPVOSUHDVFIKAX-UHFFFAOYSA-N 1 0 413.526 1.763 20 0 HDADRO CNC(=O)c1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ccc1Cl ZINC001165002591 722254422 /nfs/dbraw/zinc/25/44/22/722254422.db2.gz RDFHZTRHIZIXLJ-UHFFFAOYSA-N 1 0 406.918 1.780 20 0 HDADRO COc1ccc(S(=O)(=O)N[C@H](C(=O)NCCC2CC[NH+](C)CC2)C(C)C)cc1 ZINC000624265828 1073472990 /nfs/dbraw/zinc/47/29/90/1073472990.db2.gz VYSLUARAOUBWNV-IBGZPJMESA-N 1 0 411.568 1.846 20 0 HDADRO FC(F)(F)Cn1nnnc1CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000429054051 1073476028 /nfs/dbraw/zinc/47/60/28/1073476028.db2.gz HHYOJTUNWYWZCU-MRXNPFEDSA-N 1 0 424.475 1.665 20 0 HDADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000429055162 1073481925 /nfs/dbraw/zinc/48/19/25/1073481925.db2.gz SGGAFCYNXLMQSG-FQEVSTJZSA-N 1 0 412.538 1.528 20 0 HDADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000673643041 1073487661 /nfs/dbraw/zinc/48/76/61/1073487661.db2.gz KIDARIUIZKZBGO-IBGZPJMESA-N 1 0 422.533 1.866 20 0 HDADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000429079799 1073524553 /nfs/dbraw/zinc/52/45/53/1073524553.db2.gz BGWJJHNQQULIIM-YESZJQIVSA-N 1 0 400.531 1.513 20 0 HDADRO C[NH+](C)CCn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C3)cn1 ZINC001004677464 1073524579 /nfs/dbraw/zinc/52/45/79/1073524579.db2.gz LEMDAERTENYDFV-NNIGNNQHSA-N 1 0 401.555 1.989 20 0 HDADRO CCn1c(=O)[nH]c2cc(C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)ccc2c1=O ZINC000625182670 1073550197 /nfs/dbraw/zinc/55/01/97/1073550197.db2.gz KMRRDCZYUPZTMX-MRXNPFEDSA-N 1 0 400.479 1.449 20 0 HDADRO O=C(CCC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)N1CC(=O)Nc2ccccc21 ZINC000625190517 1073557773 /nfs/dbraw/zinc/55/77/73/1073557773.db2.gz QHGKOBXSPRZWHG-QGZVFWFLSA-N 1 0 414.506 1.465 20 0 HDADRO Cc1c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)ccc2c[nH+]cn21 ZINC001004721041 1073570703 /nfs/dbraw/zinc/57/07/03/1073570703.db2.gz GGYXFLXLYFSLJI-SFNMYTPWSA-N 1 0 406.486 1.928 20 0 HDADRO COC(=O)c1cc(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccn1 ZINC000429112121 1073612105 /nfs/dbraw/zinc/61/21/05/1073612105.db2.gz HWYZGEKWTBFKKV-UHFFFAOYSA-N 1 0 404.511 1.424 20 0 HDADRO NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000673668360 1073621087 /nfs/dbraw/zinc/62/10/87/1073621087.db2.gz LGTYSPBLQPTEFY-WZONZLPQSA-N 1 0 408.502 1.117 20 0 HDADRO C[C@H](NC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)C1CC[NH+](C)CC1 ZINC000673671474 1073626087 /nfs/dbraw/zinc/62/60/87/1073626087.db2.gz ZGIRFNBMZHINBX-KXBFYZLASA-N 1 0 413.522 1.383 20 0 HDADRO C[C@H]1C[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C(=O)N1c1cnn(C)c1 ZINC000673684829 1073640117 /nfs/dbraw/zinc/64/01/17/1073640117.db2.gz KUZMZCCAIWSWNW-JXFKEZNVSA-N 1 0 410.522 1.091 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000673716687 1073648679 /nfs/dbraw/zinc/64/86/79/1073648679.db2.gz YQVODZUFNHHTRA-SFHVURJKSA-N 1 0 402.520 1.479 20 0 HDADRO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)cc1Cn1cccn1 ZINC000766021439 1073658384 /nfs/dbraw/zinc/65/83/84/1073658384.db2.gz ABHROBOAITZNRS-SIKLNZKXSA-N 1 0 413.566 1.997 20 0 HDADRO O=C(Cn1cc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cn1)NC1CCCCC1 ZINC000673738083 1073670576 /nfs/dbraw/zinc/67/05/76/1073670576.db2.gz PYQLJMRZFDGDSI-FQEVSTJZSA-N 1 0 417.554 1.659 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000673749061 1073672390 /nfs/dbraw/zinc/67/23/90/1073672390.db2.gz DBENWQFRGHJEAY-LJQANCHMSA-N 1 0 410.518 1.837 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000673748803 1073673124 /nfs/dbraw/zinc/67/31/24/1073673124.db2.gz BXQWVDWLRMJACH-HNNXBMFYSA-N 1 0 407.474 1.771 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000673756373 1073690619 /nfs/dbraw/zinc/69/06/19/1073690619.db2.gz CEUPAHQMOZKTBI-QGZVFWFLSA-N 1 0 410.522 1.030 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000673758230 1073692831 /nfs/dbraw/zinc/69/28/31/1073692831.db2.gz XFUNTPAPOSORGT-OAHLLOKOSA-N 1 0 411.506 1.645 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000673749975 1073694189 /nfs/dbraw/zinc/69/41/89/1073694189.db2.gz HBAMWRALFDTYTL-INIZCTEOSA-N 1 0 405.524 1.044 20 0 HDADRO COC(=O)C[C@@](C)([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccn1 ZINC000509139339 1073707808 /nfs/dbraw/zinc/70/78/08/1073707808.db2.gz NOWHBMYBBMNXQC-JOCHJYFZSA-N 1 0 411.506 1.583 20 0 HDADRO CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000673780729 1073715575 /nfs/dbraw/zinc/71/55/75/1073715575.db2.gz AIKYDXMLCLPDME-INIZCTEOSA-N 1 0 417.963 1.076 20 0 HDADRO COCCOc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000483581659 1073715639 /nfs/dbraw/zinc/71/56/39/1073715639.db2.gz FFNKHTWIESYYQC-MJGOQNOKSA-N 1 0 418.538 1.135 20 0 HDADRO O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)c2cccn3c(=O)[nH]nc23)cc1 ZINC000509144363 1073721176 /nfs/dbraw/zinc/72/11/76/1073721176.db2.gz OKAAKHLRZUSCGG-UHFFFAOYSA-N 1 0 408.462 1.191 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC1 ZINC000509144235 1073723215 /nfs/dbraw/zinc/72/32/15/1073723215.db2.gz NZUYKLXBIAVSMH-RTWAWAEBSA-N 1 0 416.566 1.245 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000673789719 1073735548 /nfs/dbraw/zinc/73/55/48/1073735548.db2.gz YVZVLOICFNJDCX-GOSISDBHSA-N 1 0 416.909 1.986 20 0 HDADRO Cn1cc(C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)C2)cn1 ZINC000673789220 1073744250 /nfs/dbraw/zinc/74/42/50/1073744250.db2.gz QNXGWQXCULMGPS-KRWDZBQOSA-N 1 0 413.522 1.780 20 0 HDADRO C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673810659 1073753982 /nfs/dbraw/zinc/75/39/82/1073753982.db2.gz ZBONUSZFKOKDIR-QGZVFWFLSA-N 1 0 411.510 1.818 20 0 HDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000673817283 1073772371 /nfs/dbraw/zinc/77/23/71/1073772371.db2.gz RDIHRACWGBWNTO-UXHICEINSA-N 1 0 402.514 1.731 20 0 HDADRO Cc1nc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000673829748 1073780708 /nfs/dbraw/zinc/78/07/08/1073780708.db2.gz QGLOVNWTYCGIDY-UHFFFAOYSA-N 1 0 407.360 1.070 20 0 HDADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000429148567 1073781698 /nfs/dbraw/zinc/78/16/98/1073781698.db2.gz CWGOEJYXTWZWIS-JOCHJYFZSA-N 1 0 412.490 1.651 20 0 HDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000509157433 1073784928 /nfs/dbraw/zinc/78/49/28/1073784928.db2.gz VUFWJWMUWQMVCS-PXNSSMCTSA-N 1 0 403.523 1.328 20 0 HDADRO C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)c2)CC1 ZINC000057055250 1073786155 /nfs/dbraw/zinc/78/61/55/1073786155.db2.gz AHUAXGMDIUYIIT-LJQANCHMSA-N 1 0 407.518 1.816 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000429151459 1073788362 /nfs/dbraw/zinc/78/83/62/1073788362.db2.gz NKQZYHGSLMZHEC-UHFFFAOYSA-N 1 0 419.526 1.415 20 0 HDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCCN2c2ncccn2)CC1 ZINC000673831078 1073789086 /nfs/dbraw/zinc/78/90/86/1073789086.db2.gz GLPBZAIPNRVJGB-NRFANRHFSA-N 1 0 408.550 1.899 20 0 HDADRO CN1CC[N@H+](CCCNC(=O)[C@@H]2CCCN2c2ncccn2)[C@@H](c2ccccc2)C1 ZINC000673830804 1073790124 /nfs/dbraw/zinc/79/01/24/1073790124.db2.gz OEPNDWYCZQYMFZ-LEWJYISDSA-N 1 0 408.550 1.940 20 0 HDADRO CN1CC[N@H+](CCCNC(=O)[C@H]2CCCN2c2ncccn2)[C@@H](c2ccccc2)C1 ZINC000673830805 1073790386 /nfs/dbraw/zinc/79/03/86/1073790386.db2.gz OEPNDWYCZQYMFZ-NHCUHLMSSA-N 1 0 408.550 1.940 20 0 HDADRO COc1ccccc1C[C@H]([NH2+][C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)C(C)C ZINC000543490061 1073796978 /nfs/dbraw/zinc/79/69/78/1073796978.db2.gz AXFBUEQTLCKJOA-HIFRSBDPSA-N 1 0 402.495 1.103 20 0 HDADRO CS(=O)(=O)c1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl ZINC000429153955 1073806476 /nfs/dbraw/zinc/80/64/76/1073806476.db2.gz XULNIYHQBSBDNK-HNNXBMFYSA-N 1 0 415.943 1.607 20 0 HDADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1 ZINC000673844192 1073820083 /nfs/dbraw/zinc/82/00/83/1073820083.db2.gz DMYJFQRBANBOKI-HXUWFJFHSA-N 1 0 410.522 1.710 20 0 HDADRO COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)cc1OC ZINC000543494473 1073831227 /nfs/dbraw/zinc/83/12/27/1073831227.db2.gz IUHGEEJAZLLTEL-YOEHRIQHSA-N 1 0 407.511 1.450 20 0 HDADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673867873 1073833217 /nfs/dbraw/zinc/83/32/17/1073833217.db2.gz SHFXMHYBHUOBSH-QGZVFWFLSA-N 1 0 400.531 1.172 20 0 HDADRO COc1ccc(F)cc1CN1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673868921 1073834303 /nfs/dbraw/zinc/83/43/03/1073834303.db2.gz JPHHSOVWBFCABF-UHFFFAOYSA-N 1 0 404.490 1.942 20 0 HDADRO CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673870668 1073835103 /nfs/dbraw/zinc/83/51/03/1073835103.db2.gz PKNMIOGAKGFCNK-UHFFFAOYSA-N 1 0 423.539 1.781 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCc2cccc(C(=O)N3CCOCC3)c2)cn1 ZINC000673870186 1073835593 /nfs/dbraw/zinc/83/55/93/1073835593.db2.gz JVXIVKLHKQPJKA-UHFFFAOYSA-N 1 0 400.483 1.239 20 0 HDADRO COc1ccc(OC)c(CN2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)c1 ZINC000673871533 1073836372 /nfs/dbraw/zinc/83/63/72/1073836372.db2.gz MEBCPPPCQYTRFG-UHFFFAOYSA-N 1 0 416.526 1.812 20 0 HDADRO Cc1ccc(OCC(=O)N2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)cc1 ZINC000673871151 1073836739 /nfs/dbraw/zinc/83/67/39/1073836739.db2.gz XDMMKRCJYOIVOE-UHFFFAOYSA-N 1 0 414.510 1.508 20 0 HDADRO CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673867852 1073845806 /nfs/dbraw/zinc/84/58/06/1073845806.db2.gz SAANXDNULBRPEI-UHFFFAOYSA-N 1 0 423.539 1.781 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cn1 ZINC000673868241 1073847163 /nfs/dbraw/zinc/84/71/63/1073847163.db2.gz ZVWGDGGBXILDEG-UHFFFAOYSA-N 1 0 400.483 1.239 20 0 HDADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000543497595 1073849913 /nfs/dbraw/zinc/84/99/13/1073849913.db2.gz UKPWQVLBOOMISB-KBXCAEBGSA-N 1 0 424.567 1.678 20 0 HDADRO CCNC(=O)COc1ccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cc1OC ZINC000673886440 1073857419 /nfs/dbraw/zinc/85/74/19/1073857419.db2.gz VTFZXWPMSKLOMO-KRWDZBQOSA-N 1 0 405.495 1.080 20 0 HDADRO CC(C)[C@@H](NC(=O)CN1CC[NH+](C(C)(C)CO)CC1)c1ccc2c(c1)OCCO2 ZINC000673894657 1073864977 /nfs/dbraw/zinc/86/49/77/1073864977.db2.gz BOHLBPOGSWGBFG-OAQYLSRUSA-N 1 0 405.539 1.660 20 0 HDADRO COc1cc(CCNC(=O)CN2CC[NH+](C(C)(C)CO)CC2)ccc1OC(F)F ZINC000673896621 1073866664 /nfs/dbraw/zinc/86/66/64/1073866664.db2.gz YGSBQXWIZDTFMX-UHFFFAOYSA-N 1 0 415.481 1.344 20 0 HDADRO CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000673907343 1073872725 /nfs/dbraw/zinc/87/27/25/1073872725.db2.gz XIQFQSNZHCEHBX-IBGZPJMESA-N 1 0 411.568 1.674 20 0 HDADRO CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673907004 1073873263 /nfs/dbraw/zinc/87/32/63/1073873263.db2.gz UDZAKPYLFKHQHJ-IBGZPJMESA-N 1 0 411.568 1.359 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N[C@@H](C)C3CC[NH+](C)CC3)C2=O)c1 ZINC000673913597 1073881155 /nfs/dbraw/zinc/88/11/55/1073881155.db2.gz QAIDVNONVUVQHH-LIRRHRJNSA-N 1 0 404.511 1.839 20 0 HDADRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc(Cl)c1OCC(N)=O ZINC000673929560 1073899095 /nfs/dbraw/zinc/89/90/95/1073899095.db2.gz KHCRPQBWFXWMAM-HXPMCKFVSA-N 1 0 424.885 1.023 20 0 HDADRO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543506415 1073904193 /nfs/dbraw/zinc/90/41/93/1073904193.db2.gz RHEJKKBJCROUGZ-LSDHHAIUSA-N 1 0 421.523 1.119 20 0 HDADRO CC(C)N(CCCNC(=O)C[NH2+][C@@H](C)[C@H]1OCCc2sccc21)S(C)(=O)=O ZINC000429168291 1073914495 /nfs/dbraw/zinc/91/44/95/1073914495.db2.gz OOVJYBXNBRLJRR-KBXCAEBGSA-N 1 0 417.597 1.516 20 0 HDADRO C[C@@]1(c2ccc(C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)cc2)NC(=O)NC1=O ZINC000673963166 1073946614 /nfs/dbraw/zinc/94/66/14/1073946614.db2.gz GGROPKOANXOJNL-UTKZUKDTSA-N 1 0 400.479 1.068 20 0 HDADRO C[C@]1(c2ccc(C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)cc2)NC(=O)NC1=O ZINC000673963165 1073946654 /nfs/dbraw/zinc/94/66/54/1073946654.db2.gz GGROPKOANXOJNL-LAUBAEHRSA-N 1 0 400.479 1.068 20 0 HDADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000509179464 1073948404 /nfs/dbraw/zinc/94/84/04/1073948404.db2.gz AZSZBCXUGDBWPY-LJQANCHMSA-N 1 0 409.552 1.675 20 0 HDADRO CN(Cc1cnn(C)c1)C(=O)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000670440947 1073963842 /nfs/dbraw/zinc/96/38/42/1073963842.db2.gz NAKXQUOLGSSRPW-PWRODBHTSA-N 1 0 409.534 1.795 20 0 HDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CCO[C@H]1C1CC1 ZINC001005014907 1073965916 /nfs/dbraw/zinc/96/59/16/1073965916.db2.gz MTUMFDNXXOEGAE-UEDWAMCQSA-N 1 0 401.551 1.926 20 0 HDADRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)N1CCC[C@H](O)C1 ZINC000670441356 1073967938 /nfs/dbraw/zinc/96/79/38/1073967938.db2.gz NYSGDIGOZXMZFU-FDFHNCONSA-N 1 0 407.514 1.754 20 0 HDADRO CCc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2)ncn1 ZINC000673980609 1073972676 /nfs/dbraw/zinc/97/26/76/1073972676.db2.gz SNGKQFIFFBFMGX-LJQANCHMSA-N 1 0 415.586 1.476 20 0 HDADRO COc1ccccc1C(=O)N1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000673983626 1073975716 /nfs/dbraw/zinc/97/57/16/1073975716.db2.gz YGDXKIVXHVFUSO-HXUWFJFHSA-N 1 0 406.552 1.600 20 0 HDADRO CSc1nc2nc(C)c(CC(=O)N3CCC[C@@H]([NH+]4CCOCC4)CC3)c(C)n2n1 ZINC000670444240 1073991214 /nfs/dbraw/zinc/99/12/14/1073991214.db2.gz XPZSIRAGGQCWEH-MRXNPFEDSA-N 1 0 418.567 1.719 20 0 HDADRO NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000466574801 1073992687 /nfs/dbraw/zinc/99/26/87/1073992687.db2.gz PJLVGTIFBRCVFV-WOJBJXKFSA-N 1 0 402.539 1.877 20 0 HDADRO CCc1cc(N2CCC(NC(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)ncn1 ZINC000673985676 1074001066 /nfs/dbraw/zinc/00/10/66/1074001066.db2.gz NRYUIQOSEGBLEG-RBUKOAKNSA-N 1 0 402.543 1.248 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2)c1 ZINC000673985466 1074001105 /nfs/dbraw/zinc/00/11/05/1074001105.db2.gz TXCDCKKHJCSVFF-NDXORKPFSA-N 1 0 418.538 1.523 20 0 HDADRO C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CCN(CCO)CC1)C1CCCCC1 ZINC000543529011 1074009418 /nfs/dbraw/zinc/00/94/18/1074009418.db2.gz TXPFJTHJNWKRNJ-UHFFFAOYSA-N 1 0 402.539 1.526 20 0 HDADRO CNC(=O)N[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000466582846 1074020804 /nfs/dbraw/zinc/02/08/04/1074020804.db2.gz ALMKBPLXWDMQJP-SFHVURJKSA-N 1 0 402.543 1.220 20 0 HDADRO O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000543531295 1074021631 /nfs/dbraw/zinc/02/16/31/1074021631.db2.gz DSBCQNRWSPLFFF-UHFFFAOYSA-N 1 0 420.535 1.056 20 0 HDADRO COc1c(F)cc(F)cc1NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543532012 1074025976 /nfs/dbraw/zinc/02/59/76/1074025976.db2.gz GGISKBWEAUBGJN-UHFFFAOYSA-N 1 0 424.492 1.788 20 0 HDADRO COC(=O)c1csc(NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000543532912 1074031383 /nfs/dbraw/zinc/03/13/83/1074031383.db2.gz DXSUIYMLTUEKQG-UHFFFAOYSA-N 1 0 422.551 1.349 20 0 HDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCc3nc(COC)nn3C2)[C@@H](C)C1 ZINC000466586057 1074034740 /nfs/dbraw/zinc/03/47/40/1074034740.db2.gz BYDPHWAPLUGXMV-ULQDDVLXSA-N 1 0 408.547 1.176 20 0 HDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3nc(COC)nn3C2)[C@@H](C)C1 ZINC000466586055 1074034885 /nfs/dbraw/zinc/03/48/85/1074034885.db2.gz BYDPHWAPLUGXMV-BBWFWOEESA-N 1 0 408.547 1.176 20 0 HDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543535330 1074035756 /nfs/dbraw/zinc/03/57/56/1074035756.db2.gz XGLSIYOXFNDSOD-CABCVRRESA-N 1 0 422.551 1.184 20 0 HDADRO COC(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000543535188 1074036173 /nfs/dbraw/zinc/03/61/73/1074036173.db2.gz UNFWMKATVGYNHN-UHFFFAOYSA-N 1 0 416.522 1.288 20 0 HDADRO C[NH+](C)C1CCN(CCNC(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC1 ZINC000674001874 1074038116 /nfs/dbraw/zinc/03/81/16/1074038116.db2.gz XQNYTUDVHSLJJW-UHFFFAOYSA-N 1 0 407.536 1.733 20 0 HDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000466589069 1074040972 /nfs/dbraw/zinc/04/09/72/1074040972.db2.gz VQFDHECIXUYIKD-UZLBHIALSA-N 1 0 420.579 1.763 20 0 HDADRO CCOC(=O)[C@]1(C)CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CCO1 ZINC001649123440 1074048166 /nfs/dbraw/zinc/04/81/66/1074048166.db2.gz VZUYMLNBAMUBDT-OIBXWCBGSA-N 1 0 416.518 1.706 20 0 HDADRO CCOC(=O)[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCO1 ZINC001649123317 1074054000 /nfs/dbraw/zinc/05/40/00/1074054000.db2.gz VHTHEPKEABXXLI-LQWHRVPQSA-N 1 0 406.527 1.415 20 0 HDADRO C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000466601665 1074066192 /nfs/dbraw/zinc/06/61/92/1074066192.db2.gz OHLUHUCWWDVJBT-NRSPTQNISA-N 1 0 414.550 1.632 20 0 HDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1 ZINC000674019788 1074075939 /nfs/dbraw/zinc/07/59/39/1074075939.db2.gz DESWNYFCFDPILX-UHFFFAOYSA-N 1 0 403.570 1.481 20 0 HDADRO Cc1ccc(C(=O)N[C@@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)cc1 ZINC000229086205 1074078254 /nfs/dbraw/zinc/07/82/54/1074078254.db2.gz DNWGDBTVQKHXPI-RTBURBONSA-N 1 0 402.539 1.453 20 0 HDADRO C[N@H+](CCNC(=O)NCC1(NS(C)(=O)=O)CCCCC1)Cc1ccc(F)cc1 ZINC000674031672 1074091663 /nfs/dbraw/zinc/09/16/63/1074091663.db2.gz DISULVQVAMTVFR-UHFFFAOYSA-N 1 0 414.547 1.809 20 0 HDADRO CC[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1OCC(=O)NC ZINC000674029562 1074097393 /nfs/dbraw/zinc/09/73/93/1074097393.db2.gz RRWPWHHQXOKFKT-LJQANCHMSA-N 1 0 419.570 1.588 20 0 HDADRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(C)C ZINC000543559525 1074103773 /nfs/dbraw/zinc/10/37/73/1074103773.db2.gz PQQTVEALPCYPCU-UHFFFAOYSA-N 1 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CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)c(C)c2)CC1 ZINC000674041067 1074127349 /nfs/dbraw/zinc/12/73/49/1074127349.db2.gz HWGDUSFMYBAHGL-UHFFFAOYSA-N 1 0 424.567 1.015 20 0 HDADRO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)c2C1 ZINC000674041140 1074127923 /nfs/dbraw/zinc/12/79/23/1074127923.db2.gz ACXMSVDOENPFKO-CQSZACIVSA-N 1 0 409.552 1.925 20 0 HDADRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000674049170 1074142974 /nfs/dbraw/zinc/14/29/74/1074142974.db2.gz KHFCOROIXNGBAP-ACIOBRDBSA-N 1 0 402.583 1.445 20 0 HDADRO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c(=O)[nH]c1=O ZINC000543574849 1074148139 /nfs/dbraw/zinc/14/81/39/1074148139.db2.gz RIGXSSHCFDIWLX-HNNXBMFYSA-N 1 0 421.542 1.575 20 0 HDADRO COc1ccc(S(=O)(=O)NCCC(=O)NCC[NH+]2CCCCCC2)cc1OC ZINC000059403105 1074150885 /nfs/dbraw/zinc/15/08/85/1074150885.db2.gz ZYHHCZDRVSNSNJ-UHFFFAOYSA-N 1 0 413.540 1.364 20 0 HDADRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1 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CCCCN(C(=O)C[N@H+](C)C1(CO)CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000429238963 1074528151 /nfs/dbraw/zinc/52/81/51/1074528151.db2.gz RXFROBOGZAEFKX-UHFFFAOYSA-N 1 0 409.531 1.167 20 0 HDADRO Cc1ccc(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(N2CCOCC2)c1 ZINC000674707833 1074536156 /nfs/dbraw/zinc/53/61/56/1074536156.db2.gz SFWKUBXOCSLZDS-NRFANRHFSA-N 1 0 415.582 1.753 20 0 HDADRO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC000674758485 1074550026 /nfs/dbraw/zinc/55/00/26/1074550026.db2.gz MZZWCFWLFFYZME-LPHOPBHVSA-N 1 0 415.987 1.663 20 0 HDADRO COCCOc1cc(C)ccc1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674783469 1074563414 /nfs/dbraw/zinc/56/34/14/1074563414.db2.gz IVZQTOCIXRAHLN-HXUWFJFHSA-N 1 0 420.554 1.226 20 0 HDADRO COCCOc1cc(C)ccc1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674783468 1074563477 /nfs/dbraw/zinc/56/34/77/1074563477.db2.gz IVZQTOCIXRAHLN-FQEVSTJZSA-N 1 0 420.554 1.226 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000674782879 1074563912 /nfs/dbraw/zinc/56/39/12/1074563912.db2.gz ALZGRZGBPSYKMN-SJORKVTESA-N 1 0 423.508 1.249 20 0 HDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC1CCN(c2cccs2)CC1 ZINC000674783954 1074564310 /nfs/dbraw/zinc/56/43/10/1074564310.db2.gz XOAYWABJHNCSQE-QGZVFWFLSA-N 1 0 407.584 1.959 20 0 HDADRO C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000674800617 1074574290 /nfs/dbraw/zinc/57/42/90/1074574290.db2.gz KYIWWFMPYMPXKJ-SJLPKXTDSA-N 1 0 411.543 1.474 20 0 HDADRO CC[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674872208 1074593570 /nfs/dbraw/zinc/59/35/70/1074593570.db2.gz MYWPIVFTHFWLRZ-SFTDATJTSA-N 1 0 415.582 1.833 20 0 HDADRO Cn1cnc(S(=O)(=O)NCC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000674876140 1074598841 /nfs/dbraw/zinc/59/88/41/1074598841.db2.gz BWRHLTWJSVBFLD-QGZVFWFLSA-N 1 0 405.524 1.042 20 0 HDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cccc(CN2CCCC2=O)c1 ZINC000674899434 1074606601 /nfs/dbraw/zinc/60/66/01/1074606601.db2.gz DFXUEZQEYGADRB-UHFFFAOYSA-N 1 0 412.490 1.931 20 0 HDADRO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000674892280 1074609160 /nfs/dbraw/zinc/60/91/60/1074609160.db2.gz BEBOHRGHJGKMGM-BRWVUGGUSA-N 1 0 408.449 1.311 20 0 HDADRO CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)C1 ZINC001168753812 1074613532 /nfs/dbraw/zinc/61/35/32/1074613532.db2.gz WCJDWNQWBDOADQ-XMSQKQJNSA-N 1 0 421.513 1.931 20 0 HDADRO CN(C(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670487736 1074637250 /nfs/dbraw/zinc/63/72/50/1074637250.db2.gz CLPGRRJYTQTMBT-LJQANCHMSA-N 1 0 411.550 1.454 20 0 HDADRO Cc1c(C(=O)N2CCS(=O)(=O)C(C)(C)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000674964075 1074639795 /nfs/dbraw/zinc/63/97/95/1074639795.db2.gz IOQCVELCWJSXRH-UHFFFAOYSA-N 1 0 417.535 1.213 20 0 HDADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CCC(OCCCO)CC1 ZINC000674972330 1074647978 /nfs/dbraw/zinc/64/79/78/1074647978.db2.gz QTWJCMZZXCZFLG-UHFFFAOYSA-N 1 0 404.555 1.377 20 0 HDADRO C[C@@H]1CN(CN2C(=O)c3ccc(Br)cc3C2=O)CC[N@@H+]1CC(C)(C)O ZINC000766087641 1074665792 /nfs/dbraw/zinc/66/57/92/1074665792.db2.gz JUFFIWQEOQKLRX-GFCCVEGCSA-N 1 0 410.312 1.780 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000477009882 1074692112 /nfs/dbraw/zinc/69/21/12/1074692112.db2.gz UBDFIEAIMVVTQD-NSHDSACASA-N 1 0 401.410 1.479 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NCc3ccc(C[NH+](CC)CC)cc3)CCN2C1=O ZINC000675085336 1074701470 /nfs/dbraw/zinc/70/14/70/1074701470.db2.gz SJFOISVCQATPLO-SFHVURJKSA-N 1 0 401.511 1.706 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000675086875 1074701921 /nfs/dbraw/zinc/70/19/21/1074701921.db2.gz WQIKWEDVBWMXSP-UHFFFAOYSA-N 1 0 422.595 1.398 20 0 HDADRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCNS(=O)(=O)Cc1ccon1)c1ccccc1 ZINC000429316706 1074704461 /nfs/dbraw/zinc/70/44/61/1074704461.db2.gz ZVRMYYGMNBIFOZ-HNNXBMFYSA-N 1 0 423.539 1.523 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](c3ccc(C)o3)[NH+]3CCCC3)CCN2C1=O ZINC000675097300 1074709402 /nfs/dbraw/zinc/70/94/02/1074709402.db2.gz NDJLUIODWGHVKE-HZPDHXFCSA-N 1 0 403.483 1.403 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCC(C)(C)[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000675089891 1074712462 /nfs/dbraw/zinc/71/24/62/1074712462.db2.gz YXXWIYUYIRDZGI-GOSISDBHSA-N 1 0 413.522 1.501 20 0 HDADRO O=C(C[NH2+][C@@H]1Cc2cccc(O)c2C1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000429317770 1074712937 /nfs/dbraw/zinc/71/29/37/1074712937.db2.gz PGGCYCXASQROTO-AEFFLSMTSA-N 1 0 406.548 1.797 20 0 HDADRO Cn1nccc1CCC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001128942504 1074713220 /nfs/dbraw/zinc/71/32/20/1074713220.db2.gz DSEOQLNUOQFFJH-UHFFFAOYSA-N 1 0 411.550 1.840 20 0 HDADRO COc1cccc2c1OCC[C@H]2NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000675090491 1074713309 /nfs/dbraw/zinc/71/33/09/1074713309.db2.gz PZKZIJUKKOQTAJ-GOSISDBHSA-N 1 0 419.522 1.641 20 0 HDADRO C[C@H]1C[C@H](NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC000675102629 1074718791 /nfs/dbraw/zinc/71/87/91/1074718791.db2.gz KILNMTZCXQUCGP-YOEHRIQHSA-N 1 0 420.510 1.935 20 0 HDADRO C[C@H]([NH2+]C1(CNC(=O)N(CCO)CCN2CCOCC2)CCCC1)c1ccccc1 ZINC000485536621 1074719057 /nfs/dbraw/zinc/71/90/57/1074719057.db2.gz LOQXHKJTFJORQI-FQEVSTJZSA-N 1 0 418.582 1.986 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CCN2C1=O ZINC000675108369 1074723342 /nfs/dbraw/zinc/72/33/42/1074723342.db2.gz TWFYYOOKHWQLBN-QRQLOZEOSA-N 1 0 413.522 1.575 20 0 HDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000466665037 1074726141 /nfs/dbraw/zinc/72/61/41/1074726141.db2.gz MYUWGHZOGGQGFY-IRXDYDNUSA-N 1 0 409.552 1.338 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](c1nccn1C)c1ccc(OC)cc1 ZINC000477030662 1074729552 /nfs/dbraw/zinc/72/95/52/1074729552.db2.gz WFMRSVHSZIEEOM-MAUKXSAKSA-N 1 0 401.511 1.481 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)C[N@@H+]1Cc1ccccc1 ZINC000675126847 1074731045 /nfs/dbraw/zinc/73/10/45/1074731045.db2.gz PIVCMNYJMVODKQ-WMLDXEAASA-N 1 0 408.458 1.735 20 0 HDADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)C1=O ZINC000675127115 1074733846 /nfs/dbraw/zinc/73/38/46/1074733846.db2.gz IUZIQEMULUZALK-INIZCTEOSA-N 1 0 414.506 1.004 20 0 HDADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C1=O ZINC000675129807 1074735615 /nfs/dbraw/zinc/73/56/15/1074735615.db2.gz SIOOHJUBLJEMRW-QGZVFWFLSA-N 1 0 416.522 1.155 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000477033826 1074736492 /nfs/dbraw/zinc/73/64/92/1074736492.db2.gz NPBPPDZVGAGWSO-AWEZNQCLSA-N 1 0 406.527 1.464 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc(OCC[NH+](CC)CC)cc3)CCN2C1=O ZINC000675140086 1074739381 /nfs/dbraw/zinc/73/93/81/1074739381.db2.gz FYFDYULFVQYFQC-SFHVURJKSA-N 1 0 417.510 1.907 20 0 HDADRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000490414760 1074739872 /nfs/dbraw/zinc/73/98/72/1074739872.db2.gz YVXDPHDLNMVAMN-UHFFFAOYSA-N 1 0 410.400 1.827 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000477035839 1074741199 /nfs/dbraw/zinc/74/11/99/1074741199.db2.gz SJZSXGVYOTUAEA-AWEZNQCLSA-N 1 0 400.976 1.892 20 0 HDADRO COc1ccccc1CNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000670493886 1074742846 /nfs/dbraw/zinc/74/28/46/1074742846.db2.gz KWVMIULEYPGDOV-UHFFFAOYSA-N 1 0 402.539 1.328 20 0 HDADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2=O)cc1 ZINC000675162520 1074745676 /nfs/dbraw/zinc/74/56/76/1074745676.db2.gz PWFNGMDAHRPHFW-FQEVSTJZSA-N 1 0 412.534 1.203 20 0 HDADRO COCC(C)(C)[N@H+](C)CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000429242755 1074748346 /nfs/dbraw/zinc/74/83/46/1074748346.db2.gz XKRXFUVPKSMPEV-UHFFFAOYSA-N 1 0 404.555 1.743 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCN(CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000766095563 1074748895 /nfs/dbraw/zinc/74/88/95/1074748895.db2.gz OCBRAEUSQQRPTL-UHFFFAOYSA-N 1 0 423.311 1.099 20 0 HDADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)C2=O)cc1 ZINC000675189508 1074752628 /nfs/dbraw/zinc/75/26/28/1074752628.db2.gz KGCLUGKPMRCFNJ-SLFFLAALSA-N 1 0 412.534 1.155 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000675192976 1074753306 /nfs/dbraw/zinc/75/33/06/1074753306.db2.gz AOECINGTESKGGF-MRXNPFEDSA-N 1 0 418.567 1.458 20 0 HDADRO CCOc1ccc(CN2CCN(C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)CC2)cc1 ZINC000477038011 1074754367 /nfs/dbraw/zinc/75/43/67/1074754367.db2.gz YTMFYLAUDRCFQV-SFHVURJKSA-N 1 0 404.555 1.576 20 0 HDADRO CC(C)(C)N1C[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1=O ZINC000429322281 1074754453 /nfs/dbraw/zinc/75/44/53/1074754453.db2.gz JSRFNCXWXIIIHJ-IPMKNSEASA-N 1 0 402.539 1.568 20 0 HDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670496949 1074756686 /nfs/dbraw/zinc/75/66/86/1074756686.db2.gz OCINAVIMFPVTSC-HNNXBMFYSA-N 1 0 402.322 1.879 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)no1 ZINC000481858209 1074756836 /nfs/dbraw/zinc/75/68/36/1074756836.db2.gz UYXWEBBPGSUMOW-SFHVURJKSA-N 1 0 412.490 1.967 20 0 HDADRO O=C(Nc1ccn(Cc2ccccc2)n1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000675208011 1074757056 /nfs/dbraw/zinc/75/70/56/1074757056.db2.gz JDDNXINZMSMTOT-UHFFFAOYSA-N 1 0 411.506 1.441 20 0 HDADRO COC(=O)[C@@H](CC(C)C)[NH+]1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000509314692 1074757872 /nfs/dbraw/zinc/75/78/72/1074757872.db2.gz OUJFLXKJLBIBKJ-QGZVFWFLSA-N 1 0 411.524 1.572 20 0 HDADRO CN1CCN(C(=O)c2cc(NC(=O)NC[C@]3([NH+](C)C)CCSC3)ccn2)CC1 ZINC000543617450 1074759018 /nfs/dbraw/zinc/75/90/18/1074759018.db2.gz VUTVVOWGQUIGQD-LJQANCHMSA-N 1 0 406.556 1.028 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)C[N@@H+]1Cc1ccccc1 ZINC000466668066 1074762151 /nfs/dbraw/zinc/76/21/51/1074762151.db2.gz CIMGLACEVYJRSI-DOTOQJQBSA-N 1 0 405.462 1.380 20 0 HDADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C2=O)cc1 ZINC000766100150 1074770455 /nfs/dbraw/zinc/77/04/55/1074770455.db2.gz YLVRRHZUCGASTO-VPKVUBIPSA-N 1 0 414.506 1.405 20 0 HDADRO CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000675263050 1074772943 /nfs/dbraw/zinc/77/29/43/1074772943.db2.gz OWJDMRDJYFQNQV-UHFFFAOYSA-N 1 0 420.466 1.053 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000477062969 1074773433 /nfs/dbraw/zinc/77/34/33/1074773433.db2.gz YZFSMCQPEHBNGY-MAUKXSAKSA-N 1 0 404.511 1.267 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000477059556 1074780548 /nfs/dbraw/zinc/78/05/48/1074780548.db2.gz SGKAFUYTOAWJCP-IRXDYDNUSA-N 1 0 403.527 1.414 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000477086528 1074790044 /nfs/dbraw/zinc/79/00/44/1074790044.db2.gz VSOWRXGWPPKRMT-INIZCTEOSA-N 1 0 411.506 1.797 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(Br)cc1OC ZINC000477087399 1074790345 /nfs/dbraw/zinc/79/03/45/1074790345.db2.gz XAYVMKWFYNWWPL-LBPRGKRZSA-N 1 0 400.317 1.920 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000477089101 1074790715 /nfs/dbraw/zinc/79/07/15/1074790715.db2.gz ZVNJVZZURSDVQS-INIZCTEOSA-N 1 0 420.554 1.953 20 0 HDADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)Nc1nc2cc(Cl)ccn2n1 ZINC000558502347 1074791354 /nfs/dbraw/zinc/79/13/54/1074791354.db2.gz SIKNEDIOJMVGGF-JKSUJKDBSA-N 1 0 400.870 2.140 20 0 HDADRO COc1cc(C[NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)cc(OC)c1OCC(N)=O ZINC000543620426 1074793254 /nfs/dbraw/zinc/79/32/54/1074793254.db2.gz MWHPMADIRYVZMF-OAHLLOKOSA-N 1 0 405.495 1.591 20 0 HDADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446714349 1074797686 /nfs/dbraw/zinc/79/76/86/1074797686.db2.gz HUBLQEKLHBHFTI-MRXNPFEDSA-N 1 0 423.439 2.065 20 0 HDADRO C[C@H](C[C@H]1CCOC1)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000675317517 1074797785 /nfs/dbraw/zinc/79/77/85/1074797785.db2.gz LWHRJBFJZFFQPX-NSISKUIASA-N 1 0 402.539 1.998 20 0 HDADRO Cc1cc(NC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)ccc1OCC[NH+]1CCCC1 ZINC000440761752 1074798366 /nfs/dbraw/zinc/79/83/66/1074798366.db2.gz YCQTYTUTAWJAOU-UHFFFAOYSA-N 1 0 414.510 2.393 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000477105526 1074802645 /nfs/dbraw/zinc/80/26/45/1074802645.db2.gz FJISDEUPGBZBBP-SFHVURJKSA-N 1 0 402.539 1.516 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000477104573 1074802722 /nfs/dbraw/zinc/80/27/22/1074802722.db2.gz ZPJDFAMMTHYLBT-LSDHHAIUSA-N 1 0 403.527 1.994 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000675326528 1074808567 /nfs/dbraw/zinc/80/85/67/1074808567.db2.gz SSLYDSMHNLTAMM-WBVHZDCISA-N 1 0 406.914 1.551 20 0 HDADRO COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000583419437 1074811469 /nfs/dbraw/zinc/81/14/69/1074811469.db2.gz AHCKLYMTAMKHLQ-UHFFFAOYSA-N 1 0 419.869 2.167 20 0 HDADRO O=C(NCc1ccccc1-n1ccnc1)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000468466585 1074814481 /nfs/dbraw/zinc/81/44/81/1074814481.db2.gz IYGMLITYDQQENX-UHFFFAOYSA-N 1 0 415.457 1.961 20 0 HDADRO CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCC ZINC000670501963 1074816478 /nfs/dbraw/zinc/81/64/78/1074816478.db2.gz CCJLRNPMXBTOJH-ROUUACIJSA-N 1 0 403.523 1.886 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[C@H]21 ZINC000766112366 1074819175 /nfs/dbraw/zinc/81/91/75/1074819175.db2.gz JLFGTTFIFLJTES-NHCUHLMSSA-N 1 0 414.550 1.884 20 0 HDADRO COc1ccccc1OCCNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000670507389 1075094446 /nfs/dbraw/zinc/09/44/46/1075094446.db2.gz DBKAZXYNBQKGKI-IBGZPJMESA-N 1 0 411.502 1.923 20 0 HDADRO CCO[C@H]1CCCN(C(=O)C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000670510579 1075094598 /nfs/dbraw/zinc/09/45/98/1075094598.db2.gz QGTNABMAEMQHIL-VQTJNVASSA-N 1 0 403.523 1.976 20 0 HDADRO Cc1cc(NC(=O)CC[N@@H+](C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)no1 ZINC000426785060 1075094564 /nfs/dbraw/zinc/09/45/64/1075094564.db2.gz OLAURDLIYQHUMN-OAHLLOKOSA-N 1 0 406.508 2.545 20 0 HDADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000670511151 1075095021 /nfs/dbraw/zinc/09/50/21/1075095021.db2.gz QKPIJYLUAUFPGK-GJZGRUSLSA-N 1 0 415.456 1.980 20 0 HDADRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000670512310 1075095855 /nfs/dbraw/zinc/09/58/55/1075095855.db2.gz IPJWUTMDUMTTRG-KRWDZBQOSA-N 1 0 415.456 1.933 20 0 HDADRO CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000489983136 1075100491 /nfs/dbraw/zinc/10/04/91/1075100491.db2.gz NRMXQFGYQPNFOR-UHFFFAOYSA-N 1 0 411.572 1.930 20 0 HDADRO CCCC[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)C(=O)Nc1cc(C)on1 ZINC000541168506 1075103841 /nfs/dbraw/zinc/10/38/41/1075103841.db2.gz OISVLUPEGNCRFR-HZPDHXFCSA-N 1 0 402.499 1.995 20 0 HDADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000509329287 1075104163 /nfs/dbraw/zinc/10/41/63/1075104163.db2.gz YGLANIIYNNFYCU-KRWDZBQOSA-N 1 0 423.583 1.514 20 0 HDADRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1(CC)CC ZINC000429338594 1075104644 /nfs/dbraw/zinc/10/46/44/1075104644.db2.gz NISMAFGWMBVNHQ-QZTJIDSGSA-N 1 0 410.603 1.619 20 0 HDADRO COC(=O)c1cncnc1NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000553036848 1075111476 /nfs/dbraw/zinc/11/14/76/1075111476.db2.gz MKAJKLKQSWGXPT-UHFFFAOYSA-N 1 0 400.479 2.365 20 0 HDADRO CCCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000584863831 1075120946 /nfs/dbraw/zinc/12/09/46/1075120946.db2.gz XBFNRJCXIQGRIF-UHFFFAOYSA-N 1 0 412.538 2.380 20 0 HDADRO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000675397821 1075124273 /nfs/dbraw/zinc/12/42/73/1075124273.db2.gz YMVDUAYUXKXXMZ-IBGZPJMESA-N 1 0 424.549 1.671 20 0 HDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1 ZINC000484217722 1075124378 /nfs/dbraw/zinc/12/43/78/1075124378.db2.gz FMRSGKALSOGQMK-HNNXBMFYSA-N 1 0 404.902 1.766 20 0 HDADRO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC000675405291 1075129277 /nfs/dbraw/zinc/12/92/77/1075129277.db2.gz YYCMOZZWKGWBCX-IEBWSBKVSA-N 1 0 413.522 1.784 20 0 HDADRO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000675405033 1075129587 /nfs/dbraw/zinc/12/95/87/1075129587.db2.gz XIFFYFJJAKESGI-KRWDZBQOSA-N 1 0 413.522 1.736 20 0 HDADRO O=C(NCc1nnc(-c2ccccc2)s1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675424415 1075140448 /nfs/dbraw/zinc/14/04/48/1075140448.db2.gz XZOWPZSMWWUBLK-KRWDZBQOSA-N 1 0 416.551 1.411 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675433368 1075142725 /nfs/dbraw/zinc/14/27/25/1075142725.db2.gz NKFUQLXMVDYVJI-GUYCJALGSA-N 1 0 422.888 1.301 20 0 HDADRO COCCCn1ccc(NC(=O)C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000439642909 1075142739 /nfs/dbraw/zinc/14/27/39/1075142739.db2.gz PDSSFIKCJADYDG-UHFFFAOYSA-N 1 0 413.522 1.981 20 0 HDADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000670527116 1075151001 /nfs/dbraw/zinc/15/10/01/1075151001.db2.gz ZDNZGPAJEFPBKU-RTBURBONSA-N 1 0 406.571 1.080 20 0 HDADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000670527113 1075151213 /nfs/dbraw/zinc/15/12/13/1075151213.db2.gz ZDNZGPAJEFPBKU-MOPGFXCFSA-N 1 0 406.571 1.080 20 0 HDADRO COCCCn1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000444899926 1075155802 /nfs/dbraw/zinc/15/58/02/1075155802.db2.gz QYUZZWLWSDKCMH-IBGZPJMESA-N 1 0 401.511 2.198 20 0 HDADRO C[C@@H]1C[NH+](C[C@@H](O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)C[C@@H](C)O1 ZINC000485860024 1075157854 /nfs/dbraw/zinc/15/78/54/1075157854.db2.gz BHPUOSDYXRIDPG-UPJWGTAASA-N 1 0 409.478 1.149 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000675455261 1075158970 /nfs/dbraw/zinc/15/89/70/1075158970.db2.gz WFVPGTGVKGKLBM-QGZVFWFLSA-N 1 0 403.589 1.301 20 0 HDADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000429348582 1075160067 /nfs/dbraw/zinc/16/00/67/1075160067.db2.gz JPHYVQDYUQCZJD-SFHVURJKSA-N 1 0 411.428 2.546 20 0 HDADRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)o1 ZINC000766140869 1075162723 /nfs/dbraw/zinc/16/27/23/1075162723.db2.gz LNZJKQLLHJAIIO-CZUORRHYSA-N 1 0 416.521 1.698 20 0 HDADRO O=S(=O)(c1ccc(OCC[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1)N1CCOCC1 ZINC000429254313 1075163312 /nfs/dbraw/zinc/16/33/12/1075163312.db2.gz KEHMDHWYPKGFMT-IBGZPJMESA-N 1 0 424.563 1.835 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N(Cc1ccncc1)Cc1cccnc1 ZINC000446520868 1075163535 /nfs/dbraw/zinc/16/35/35/1075163535.db2.gz ZZAUOWOMWZUPHB-UHFFFAOYSA-N 1 0 413.441 2.225 20 0 HDADRO CSC[C@H](CCO)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766140701 1075163622 /nfs/dbraw/zinc/16/36/22/1075163622.db2.gz RXWCGEKAHCXNEF-OCCSQVGLSA-N 1 0 410.583 1.177 20 0 HDADRO C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000042566712 1075164247 /nfs/dbraw/zinc/16/42/47/1075164247.db2.gz DHSPXONZHHPUQK-FUHWJXTLSA-N 1 0 401.507 1.666 20 0 HDADRO COCC[N@H+](C)CC[C@H](NC(=O)C(=O)Nc1cc2n(n1)CCCC2)c1ccccc1 ZINC000498760687 1075165408 /nfs/dbraw/zinc/16/54/08/1075165408.db2.gz CSHWQIQRVHMBFI-IBGZPJMESA-N 1 0 413.522 1.984 20 0 HDADRO Cc1nn(C)c2ncc(S(=O)(=O)N3C[C@@H](C[NH+](C)C)Oc4ccccc43)cc12 ZINC000675470954 1075165617 /nfs/dbraw/zinc/16/56/17/1075165617.db2.gz HKVTWWXHBOTOIC-CQSZACIVSA-N 1 0 401.492 1.795 20 0 HDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC000537461663 1075166196 /nfs/dbraw/zinc/16/61/96/1075166196.db2.gz KVVNEJOQDULCFW-UHFFFAOYSA-N 1 0 407.902 1.809 20 0 HDADRO O=C(C[N@@H+]1CCOC[C@@H](C2CCC2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000429254301 1075166579 /nfs/dbraw/zinc/16/65/79/1075166579.db2.gz KDBBRQDFOCIVBS-IBGZPJMESA-N 1 0 421.563 1.268 20 0 HDADRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(Br)s1 ZINC000675467582 1075166741 /nfs/dbraw/zinc/16/67/41/1075166741.db2.gz YBBLPCATKMIPPE-CYBMUJFWSA-N 1 0 402.358 1.955 20 0 HDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc2O1 ZINC000675472536 1075166953 /nfs/dbraw/zinc/16/69/53/1075166953.db2.gz PDLGANSOWLTZQN-HNNXBMFYSA-N 1 0 418.519 1.769 20 0 HDADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1C ZINC000429352654 1075171468 /nfs/dbraw/zinc/17/14/68/1075171468.db2.gz IEFUUWBPTCLHPL-CQSZACIVSA-N 1 0 408.568 1.696 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2O1 ZINC000675490325 1075174917 /nfs/dbraw/zinc/17/49/17/1075174917.db2.gz BCPRZLONCOARCY-HNNXBMFYSA-N 1 0 400.479 1.597 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c2ccccc2O1 ZINC000675489798 1075175012 /nfs/dbraw/zinc/17/50/12/1075175012.db2.gz JIRFDLAQDNYHDP-MRXNPFEDSA-N 1 0 405.458 1.941 20 0 HDADRO CN1C(=O)N(CC(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)C(=O)C12CCCCC2 ZINC000675491279 1075175329 /nfs/dbraw/zinc/17/53/29/1075175329.db2.gz ILCGYPCFCHZWRZ-MRXNPFEDSA-N 1 0 414.506 1.939 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)CSc2nnnn2CC(F)(F)F)c2ccccc2O1 ZINC000675490681 1075175591 /nfs/dbraw/zinc/17/55/91/1075175591.db2.gz TUHWOCJGXXVRPM-NSHDSACASA-N 1 0 416.429 1.683 20 0 HDADRO CS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000675517575 1075183965 /nfs/dbraw/zinc/18/39/65/1075183965.db2.gz OEHAUYTZECFKDV-UHFFFAOYSA-N 1 0 421.563 1.689 20 0 HDADRO CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000546793217 1075185799 /nfs/dbraw/zinc/18/57/99/1075185799.db2.gz FRTPTJIZJOMVQI-IBGZPJMESA-N 1 0 422.595 1.156 20 0 HDADRO O=C(NCc1ccc(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001034821169 1075186290 /nfs/dbraw/zinc/18/62/90/1075186290.db2.gz WLJCLHQQJWOQCR-ROMHJBHXSA-N 1 0 404.532 1.251 20 0 HDADRO COc1ccc(S(=O)(=O)N2CC(NC(=O)NCC[NH+](C(C)C)C(C)C)C2)cc1 ZINC000467559730 1075186452 /nfs/dbraw/zinc/18/64/52/1075186452.db2.gz KQAUNPYBSXOWOR-UHFFFAOYSA-N 1 0 412.556 1.486 20 0 HDADRO CCN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H](COC)Cc1ccccc1 ZINC000441717241 1075187168 /nfs/dbraw/zinc/18/71/68/1075187168.db2.gz RZTLBRHJGMILAA-IBGZPJMESA-N 1 0 407.474 2.312 20 0 HDADRO Cc1c(C(=O)N2CCC(S(C)(=O)=O)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000675507107 1075187716 /nfs/dbraw/zinc/18/77/16/1075187716.db2.gz HSZLZENKGXDRSO-UHFFFAOYSA-N 1 0 417.535 1.213 20 0 HDADRO O=C(Nc1ccn(CCN2CCOCC2)n1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000467926378 1075188133 /nfs/dbraw/zinc/18/81/33/1075188133.db2.gz GYKCVIZJRKWZGX-OYRHEFFESA-N 1 0 424.549 1.811 20 0 HDADRO COc1cc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)sc1S(N)(=O)=O ZINC000675511501 1075190371 /nfs/dbraw/zinc/19/03/71/1075190371.db2.gz KDEBHKFLXQSQGW-LLVKDONJSA-N 1 0 411.505 1.374 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2ccccc2O1 ZINC000675512049 1075190673 /nfs/dbraw/zinc/19/06/73/1075190673.db2.gz FIOWFDVKISJKCH-KRWDZBQOSA-N 1 0 408.458 1.708 20 0 HDADRO COCCOc1cccc(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000427243803 1075191791 /nfs/dbraw/zinc/19/17/91/1075191791.db2.gz AEAAAHHPTNBYJN-UHFFFAOYSA-N 1 0 401.467 1.752 20 0 HDADRO C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1noc(-c2ccccc2)n1 ZINC000675537270 1075193908 /nfs/dbraw/zinc/19/39/08/1075193908.db2.gz OSOLOCCNPPWKLD-WMZOPIPTSA-N 1 0 414.510 1.503 20 0 HDADRO CN(CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000675541003 1075197178 /nfs/dbraw/zinc/19/71/78/1075197178.db2.gz KBYSYJNZIXBBDG-INIZCTEOSA-N 1 0 415.943 1.330 20 0 HDADRO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675540784 1075197362 /nfs/dbraw/zinc/19/73/62/1075197362.db2.gz ITBYUYPMAPUFPO-RTBURBONSA-N 1 0 402.474 1.274 20 0 HDADRO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675540783 1075197376 /nfs/dbraw/zinc/19/73/76/1075197376.db2.gz ITBYUYPMAPUFPO-RBUKOAKNSA-N 1 0 402.474 1.274 20 0 HDADRO 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COc1cc2c(cc1Cl)CN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)CC2 ZINC000491061202 1075340383 /nfs/dbraw/zinc/34/03/83/1075340383.db2.gz ZQJJVIKHIBNLSY-UHFFFAOYSA-N 1 0 405.886 1.630 20 0 HDADRO O=C(N[C@H]1CCN(C2CCCCC2)C1=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000676049946 1075340885 /nfs/dbraw/zinc/34/08/85/1075340885.db2.gz KHZCHIBAANBUOL-ZCNNSNEGSA-N 1 0 406.571 1.987 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 ZINC000543655273 1075344952 /nfs/dbraw/zinc/34/49/52/1075344952.db2.gz CRZQBUFRGYRDGE-CQSZACIVSA-N 1 0 418.498 1.419 20 0 HDADRO O=C(CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429393209 1075347254 /nfs/dbraw/zinc/34/72/54/1075347254.db2.gz JGVMBJDULFFJSG-UHFFFAOYSA-N 1 0 400.483 1.859 20 0 HDADRO Cc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)s1 ZINC000676092335 1075352196 /nfs/dbraw/zinc/35/21/96/1075352196.db2.gz DEZPHTCAWSLHTM-UHFFFAOYSA-N 1 0 424.486 1.560 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCc3c(Br)cccc3C2)cn1 ZINC000676093242 1075354902 /nfs/dbraw/zinc/35/49/02/1075354902.db2.gz IGSAGBMQCGIETN-UHFFFAOYSA-N 1 0 420.311 1.731 20 0 HDADRO COc1ccc(C[C@H](C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1OC ZINC000676094312 1075356423 /nfs/dbraw/zinc/35/64/23/1075356423.db2.gz HRRUSIKOFQKQAS-AWEZNQCLSA-N 1 0 403.483 1.148 20 0 HDADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)C1 ZINC000731466057 1075357225 /nfs/dbraw/zinc/35/72/25/1075357225.db2.gz PLBVQWPPGGATIZ-MHECFPHRSA-N 1 0 418.497 1.899 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cn1 ZINC000676095791 1075357294 /nfs/dbraw/zinc/35/72/94/1075357294.db2.gz AKQGBWPXBPFRAS-UHFFFAOYSA-N 1 0 415.338 1.727 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000676095805 1075357501 /nfs/dbraw/zinc/35/75/01/1075357501.db2.gz BDFMDDUQWWPPRB-GOSISDBHSA-N 1 0 404.430 1.518 20 0 HDADRO O=C(CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)N1CCCc2ccccc21 ZINC000676096100 1075358250 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CCVXKQHOGROXPY-UHFFFAOYSA-N 1 0 418.501 1.610 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000676099264 1075365916 /nfs/dbraw/zinc/36/59/16/1075365916.db2.gz NMGIMGDHXCLMRV-UHFFFAOYSA-N 1 0 417.491 1.166 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCc3ccc(Br)cc32)cn1 ZINC000676100725 1075366701 /nfs/dbraw/zinc/36/67/01/1075366701.db2.gz ZXSRWLGNQUMDCS-UHFFFAOYSA-N 1 0 406.284 1.735 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=S)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000731490849 1075367086 /nfs/dbraw/zinc/36/70/86/1075367086.db2.gz XSSHLEYISKCDGL-UHFFFAOYSA-N 1 0 420.579 1.407 20 0 HDADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000804084369 1075367231 /nfs/dbraw/zinc/36/72/31/1075367231.db2.gz UHKCXZRMLWZDHQ-HNNXBMFYSA-N 1 0 401.429 1.716 20 0 HDADRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccn(CCN2CCOCC2)n1)[NH+](C)C ZINC000579872514 1075367265 /nfs/dbraw/zinc/36/72/65/1075367265.db2.gz BMGRYQILOTTWEM-RXVVDRJESA-N 1 0 414.554 2.337 20 0 HDADRO 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ZINC000731479012 1075370933 /nfs/dbraw/zinc/37/09/33/1075370933.db2.gz MWKIAKKTNUZIGC-UUKMXZOPSA-N 1 0 417.550 1.844 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000731478896 1075370978 /nfs/dbraw/zinc/37/09/78/1075370978.db2.gz KFSHZGAXGOEPQO-QGZVFWFLSA-N 1 0 410.559 1.835 20 0 HDADRO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731478616 1075371167 /nfs/dbraw/zinc/37/11/67/1075371167.db2.gz GHLVVXHBGLEVCB-NRFANRHFSA-N 1 0 414.550 1.581 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cn1 ZINC000676089564 1075372564 /nfs/dbraw/zinc/37/25/64/1075372564.db2.gz LHENEGQMLGMXMI-UHFFFAOYSA-N 1 0 421.448 1.731 20 0 HDADRO CC(C)[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000676089503 1075372994 /nfs/dbraw/zinc/37/29/94/1075372994.db2.gz IXLOKZABHVUWHL-IBGZPJMESA-N 1 0 415.494 1.668 20 0 HDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000804087440 1075378011 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/nfs/dbraw/zinc/38/79/85/1075387985.db2.gz QLJMRNMJJAMVGP-IRXDYDNUSA-N 1 0 410.559 1.928 20 0 HDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804092389 1075391492 /nfs/dbraw/zinc/39/14/92/1075391492.db2.gz JWTORBYBXJHKDA-TWMKSMIVSA-N 1 0 410.559 1.737 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)n2)cc1 ZINC000438775123 1075393902 /nfs/dbraw/zinc/39/39/02/1075393902.db2.gz LFDQRFGDTMNKEJ-INIZCTEOSA-N 1 0 413.522 2.067 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000676123934 1075394916 /nfs/dbraw/zinc/39/49/16/1075394916.db2.gz DJNCWDQSVQSJPQ-CTNGQTDRSA-N 1 0 410.518 1.980 20 0 HDADRO CN1CCN(C(=O)c2ccccc2NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000676124317 1075395595 /nfs/dbraw/zinc/39/55/95/1075395595.db2.gz VHBHQMFMJJCWAF-QGZVFWFLSA-N 1 0 416.522 1.924 20 0 HDADRO NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000543658718 1075397138 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RCKKFRNTJGLKMQ-CYBMUJFWSA-N 1 0 403.458 2.113 20 0 HDADRO COc1cc(C=O)ccc1OCC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000731622137 1075416906 /nfs/dbraw/zinc/41/69/06/1075416906.db2.gz KSQMKECFWYBWOA-QZTJIDSGSA-N 1 0 403.523 1.904 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)c2ccccc2O1 ZINC000676190527 1075420547 /nfs/dbraw/zinc/42/05/47/1075420547.db2.gz PNSFJIZGKNJYMA-ZHRRBRCNSA-N 1 0 408.458 1.711 20 0 HDADRO COc1cc(C=O)ccc1OCC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000731628811 1075420781 /nfs/dbraw/zinc/42/07/81/1075420781.db2.gz UWHBGQKILAONMX-FQEVSTJZSA-N 1 0 411.502 1.991 20 0 HDADRO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000676191486 1075420928 /nfs/dbraw/zinc/42/09/28/1075420928.db2.gz RVYDCOZQXNMGCG-MDASCCDHSA-N 1 0 412.527 1.872 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532607086 1075421661 /nfs/dbraw/zinc/42/16/61/1075421661.db2.gz JREBVBHHQLGTSR-HNNXBMFYSA-N 1 0 400.458 1.598 20 0 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1075463770 /nfs/dbraw/zinc/46/37/70/1075463770.db2.gz GCMHEMRAYRZCDS-UHFFFAOYSA-N 1 0 417.554 1.789 20 0 HDADRO COc1ccc2cc(CN(C)C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)ccc2c1 ZINC000448485824 1075464915 /nfs/dbraw/zinc/46/49/15/1075464915.db2.gz NFQJEPKZCGPZLA-UHFFFAOYSA-N 1 0 409.490 2.204 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1=O ZINC000731689662 1075472761 /nfs/dbraw/zinc/47/27/61/1075472761.db2.gz OCJYPYWCMZJEFW-RCCFBDPRSA-N 1 0 422.570 1.787 20 0 HDADRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000676288676 1075472937 /nfs/dbraw/zinc/47/29/37/1075472937.db2.gz FVNKQHSHJAVNME-LJQANCHMSA-N 1 0 415.582 1.976 20 0 HDADRO CC[NH+](CC)CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1 ZINC000676279748 1075483288 /nfs/dbraw/zinc/48/32/88/1075483288.db2.gz PQLQVINIJYGXGK-LPHOPBHVSA-N 1 0 406.527 1.181 20 0 HDADRO COc1cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)ccc1OCC(=O)N1CCOCC1 ZINC000509399621 1075486830 /nfs/dbraw/zinc/48/68/30/1075486830.db2.gz ABGMOEGVAXDWTK-ROUUACIJSA-N 1 0 417.506 1.176 20 0 HDADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnn(C)c1Br ZINC000711749112 1075487344 /nfs/dbraw/zinc/48/73/44/1075487344.db2.gz KYGUDUXTWKKTFI-GOSISDBHSA-N 1 0 407.312 1.892 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CN(C)CCO1 ZINC000676281212 1075487943 /nfs/dbraw/zinc/48/79/43/1075487943.db2.gz VIZBUMHBQRNIJG-VQIMIIECSA-N 1 0 420.579 1.052 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CN(C)CCO1 ZINC000676281285 1075489162 /nfs/dbraw/zinc/48/91/62/1075489162.db2.gz VQLLIKVQWKTJGD-MBOZVWFJSA-N 1 0 402.539 1.692 20 0 HDADRO CC[C@H](C)n1nc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1C ZINC000537285602 1075490734 /nfs/dbraw/zinc/49/07/34/1075490734.db2.gz OEFOIHBZPJREIZ-KFKAGJAMSA-N 1 0 413.522 1.853 20 0 HDADRO CC[C@H](C)n1nc(NC(=O)C(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)cc1C ZINC000551773504 1075491400 /nfs/dbraw/zinc/49/14/00/1075491400.db2.gz GAWUDBWNZKJRJO-KSSFIOAISA-N 1 0 401.511 2.529 20 0 HDADRO CN(C)C(=O)CN1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000676295926 1075498800 /nfs/dbraw/zinc/49/88/00/1075498800.db2.gz YDHGEUNNKVUTIV-UHFFFAOYSA-N 1 0 415.582 1.978 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@H](N2CC[NH+](CC3CCOCC3)CC2)C1=O ZINC000466726993 1075504482 /nfs/dbraw/zinc/50/44/82/1075504482.db2.gz AQYWCFWBIULVJO-KRWDZBQOSA-N 1 0 407.536 1.684 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3nccc(N4CCOCC4)n3)c2)C1 ZINC000676310912 1075508991 /nfs/dbraw/zinc/50/89/91/1075508991.db2.gz QDFSHIJSOJOTCR-IBGZPJMESA-N 1 0 410.522 1.623 20 0 HDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000676336506 1075511318 /nfs/dbraw/zinc/51/13/18/1075511318.db2.gz RSKVUSBQYNBRDM-SWLSCSKDSA-N 1 0 419.469 1.973 20 0 HDADRO Cn1cc(N2CCN(C(=O)NC[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)CC2=O)cn1 ZINC000429423345 1075511769 /nfs/dbraw/zinc/51/17/69/1075511769.db2.gz 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HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000676343484 1075517479 /nfs/dbraw/zinc/51/74/79/1075517479.db2.gz QYQXOQKUAAQYNV-ZWKOTPCHSA-N 1 0 415.490 1.389 20 0 HDADRO Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000731782509 1075522960 /nfs/dbraw/zinc/52/29/60/1075522960.db2.gz ULJDCICRCUZBEB-UHFFFAOYSA-N 1 0 423.560 1.951 20 0 HDADRO CSc1ccncc1NC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000676361727 1075524079 /nfs/dbraw/zinc/52/40/79/1075524079.db2.gz JDNBBXDBYRFOIM-UHFFFAOYSA-N 1 0 405.568 1.759 20 0 HDADRO CCN1C(=O)N=NC1C1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000676366395 1075525989 /nfs/dbraw/zinc/52/59/89/1075525989.db2.gz KPSAQMFSWNZRPD-INIZCTEOSA-N 1 0 414.466 1.061 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000676357511 1075531365 /nfs/dbraw/zinc/53/13/65/1075531365.db2.gz FPIPJNMYWSKRFL-IRXDYDNUSA-N 1 0 412.490 1.177 20 0 HDADRO COc1nnc(NC(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)s1 ZINC000554943731 1075531893 /nfs/dbraw/zinc/53/18/93/1075531893.db2.gz BDBDDZHLGYVQDH-UHFFFAOYSA-N 1 0 406.512 1.841 20 0 HDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CC2)CC1 ZINC000676358647 1075531929 /nfs/dbraw/zinc/53/19/29/1075531929.db2.gz HKSGSMKCUFSGHH-FQEVSTJZSA-N 1 0 419.614 1.978 20 0 HDADRO C[C@@H](NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1)C1CC[NH+](C)CC1 ZINC000676359154 1075532600 /nfs/dbraw/zinc/53/26/00/1075532600.db2.gz LJVHGOABMNZGIS-WBVHZDCISA-N 1 0 414.506 1.423 20 0 HDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)CC2)CC1 ZINC000676359438 1075533208 /nfs/dbraw/zinc/53/32/08/1075533208.db2.gz QXVUYRCWIDGNJV-FCHUYYIVSA-N 1 0 421.630 1.830 20 0 HDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CCC[C@H](S(C)(=O)=O)C3)CC2)CC1 ZINC000676385820 1075534175 /nfs/dbraw/zinc/53/41/75/1075534175.db2.gz BEKNRXCFPTUVLE-MJGOQNOKSA-N 1 0 414.616 1.542 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000676380225 1075538118 /nfs/dbraw/zinc/53/81/18/1075538118.db2.gz IHCUBVOSEBHOSD-GOSISDBHSA-N 1 0 412.490 1.413 20 0 HDADRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CCNS(C)(=O)=O ZINC000676395641 1075542519 /nfs/dbraw/zinc/54/25/19/1075542519.db2.gz WCCIKPHWRNEIIA-QGZVFWFLSA-N 1 0 405.524 1.516 20 0 HDADRO COC(=O)c1cc(C(=O)Nc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)ccn1 ZINC000429433748 1075544585 /nfs/dbraw/zinc/54/45/85/1075544585.db2.gz WLNSVNJDDMXQKL-UHFFFAOYSA-N 1 0 410.474 1.860 20 0 HDADRO CC(C)(C)C[N@H+](CCO)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000731843357 1075547399 /nfs/dbraw/zinc/54/73/99/1075547399.db2.gz QQAMMROXGKTMOS-CXUHLZMHSA-N 1 0 423.579 1.472 20 0 HDADRO COC(=O)/C=C1\SCC(=O)N1CCCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000731842896 1075548037 /nfs/dbraw/zinc/54/80/37/1075548037.db2.gz JULWOZBGRFPUOV-SQFNAUOLSA-N 1 0 410.584 1.068 20 0 HDADRO CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1OC ZINC000676417391 1075548716 /nfs/dbraw/zinc/54/87/16/1075548716.db2.gz BTUIHJACYTXDCG-PKOBYXMFSA-N 1 0 405.539 1.895 20 0 HDADRO C[C@H](CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)[NH+]1CCC(C)CC1 ZINC000804148824 1075550514 /nfs/dbraw/zinc/55/05/14/1075550514.db2.gz DMKYADAEVDGJHB-FOIQADDNSA-N 1 0 407.536 1.978 20 0 HDADRO CN(CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)S(=O)(=O)c1cccs1 ZINC000676445860 1075555772 /nfs/dbraw/zinc/55/57/72/1075555772.db2.gz NAKXBBZNKCBDQM-UHFFFAOYSA-N 1 0 406.493 1.771 20 0 HDADRO C[C@@H](CC(=O)N1CC[NH+](CC2CC2)CC1)NS(=O)(=O)c1cccnc1Cl ZINC000731897445 1075561462 /nfs/dbraw/zinc/56/14/62/1075561462.db2.gz VTGROOFYJLRXOL-ZDUSSCGKSA-N 1 0 400.932 1.346 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000676468338 1075562250 /nfs/dbraw/zinc/56/22/50/1075562250.db2.gz IOJYCPXHVAETSW-OAHLLOKOSA-N 1 0 402.586 1.817 20 0 HDADRO C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1nc2ccccc2s1 ZINC000804165624 1075573602 /nfs/dbraw/zinc/57/36/02/1075573602.db2.gz DRJOPTGINDQIMY-JKSUJKDBSA-N 1 0 415.563 1.712 20 0 HDADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)nc2)C1 ZINC000676516948 1075575366 /nfs/dbraw/zinc/57/53/66/1075575366.db2.gz QLURZUAKGVJQTJ-APWZRJJASA-N 1 0 408.506 1.604 20 0 HDADRO Cc1onc(NC(=O)C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1C ZINC000571902552 1075580459 /nfs/dbraw/zinc/58/04/59/1075580459.db2.gz UNINTLZEZFVFEF-UHFFFAOYSA-N 1 0 413.522 2.257 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)Cc1ccccc1 ZINC000676544451 1075581467 /nfs/dbraw/zinc/58/14/67/1075581467.db2.gz GUBIKQUOJNTPEN-HXUWFJFHSA-N 1 0 406.490 1.554 20 0 HDADRO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N1CC[C@H]3[C@H](CCC[N@@H+]3C)C1)CCO2 ZINC000676530221 1075582387 /nfs/dbraw/zinc/58/23/87/1075582387.db2.gz JAJVMHXKVWZTGA-LZQZEXGQSA-N 1 0 401.507 1.968 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)C1=CC[N@H+](C)CC1 ZINC000442337943 1075583766 /nfs/dbraw/zinc/58/37/66/1075583766.db2.gz WRMYITJCYTWEQW-GFCCVEGCSA-N 1 0 422.411 1.991 20 0 HDADRO CN(C(=O)C(=O)Nc1ccn(-c2ccccc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446852190 1075585253 /nfs/dbraw/zinc/58/52/53/1075585253.db2.gz MXEQWNQBOKLSIV-HXUWFJFHSA-N 1 0 403.486 2.544 20 0 HDADRO CN(C(=O)C(=O)Nc1ccn(CC(F)F)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000444528996 1075586410 /nfs/dbraw/zinc/58/64/10/1075586410.db2.gz ZXFLMNWKWIOGAG-MRXNPFEDSA-N 1 0 405.449 2.210 20 0 HDADRO O=C(Nc1cnn(Cc2ccccn2)c1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676556474 1075588386 /nfs/dbraw/zinc/58/83/86/1075588386.db2.gz RRXPSJBPWKCVHF-OXJNMPFZSA-N 1 0 408.506 1.740 20 0 HDADRO COc1cccc([C@H](CNC(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)[NH+](C)C)c1 ZINC000676544930 1075590530 /nfs/dbraw/zinc/59/05/30/1075590530.db2.gz CYKGBAJRIHRFFT-FQEVSTJZSA-N 1 0 422.489 1.693 20 0 HDADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676546296 1075591218 /nfs/dbraw/zinc/59/12/18/1075591218.db2.gz CHDUZBAZFQKEPU-IBGZPJMESA-N 1 0 406.490 1.554 20 0 HDADRO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000676546212 1075591563 /nfs/dbraw/zinc/59/15/63/1075591563.db2.gz VEZWAHMRULGDTA-UHFFFAOYSA-N 1 0 410.503 1.984 20 0 HDADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)C2=O)cc1 ZINC000732035011 1075592229 /nfs/dbraw/zinc/59/22/29/1075592229.db2.gz JDLYHCWUIVMXFP-KKSFZXQISA-N 1 0 400.479 1.157 20 0 HDADRO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)o1 ZINC000676546576 1075593671 /nfs/dbraw/zinc/59/36/71/1075593671.db2.gz JCLPXAPLHDDZCB-QGZVFWFLSA-N 1 0 415.494 1.485 20 0 HDADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676548007 1075594735 /nfs/dbraw/zinc/59/47/35/1075594735.db2.gz ZFTDHZDYRJZANV-UHFFFAOYSA-N 1 0 424.480 1.994 20 0 HDADRO Cn1cc(-c2ccc(NC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3CO)nn2)cn1 ZINC000433677511 1075598731 /nfs/dbraw/zinc/59/87/31/1075598731.db2.gz AUJMLIFXROAQSX-YLJYHZDGSA-N 1 0 421.505 1.882 20 0 HDADRO C[C@@H](c1ccsc1)N1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000462942165 1075600892 /nfs/dbraw/zinc/60/08/92/1075600892.db2.gz FLJDYUQTRJQZQF-HNNXBMFYSA-N 1 0 410.503 2.173 20 0 HDADRO CNC(=O)c1cncc(/C=C/C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000732073804 1075605107 /nfs/dbraw/zinc/60/51/07/1075605107.db2.gz MOUXHTDVGNZOGT-CMDGGOBGSA-N 1 0 421.545 1.731 20 0 HDADRO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1=O ZINC000429452321 1075607886 /nfs/dbraw/zinc/60/78/86/1075607886.db2.gz YQTHWUCVZFBLEK-MOXGXCLJSA-N 1 0 400.523 1.452 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000429453723 1075609454 /nfs/dbraw/zinc/60/94/54/1075609454.db2.gz ZCIKSBDVYHWLFY-KRWDZBQOSA-N 1 0 407.559 1.019 20 0 HDADRO CN(CCNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000804180818 1075610816 /nfs/dbraw/zinc/61/08/16/1075610816.db2.gz VGZUSIAPNZHKLP-SFHVURJKSA-N 1 0 418.538 1.702 20 0 HDADRO C[NH+](C)Cc1ccc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cn1 ZINC000555551559 1075613462 /nfs/dbraw/zinc/61/34/62/1075613462.db2.gz XBWMGEIZMZCPGE-UHFFFAOYSA-N 1 0 405.506 1.627 20 0 HDADRO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)C[C@H](C)O1 ZINC000676614226 1075616171 /nfs/dbraw/zinc/61/61/71/1075616171.db2.gz BAPJJVYOVDQMHN-BETUJISGSA-N 1 0 409.437 1.985 20 0 HDADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+](C)C[C@H](O)C2CC2)CC1 ZINC000676632153 1075625276 /nfs/dbraw/zinc/62/52/76/1075625276.db2.gz GUWYKGDJOVMNNL-IBGZPJMESA-N 1 0 402.539 1.089 20 0 HDADRO CCCCn1c(N)c(N(C(=O)C[N@H+](C)C[C@H](O)C2CC2)C2CCCC2)c(=O)[nH]c1=O ZINC000676633034 1075625694 /nfs/dbraw/zinc/62/56/94/1075625694.db2.gz SIWDMKCCUHXIIK-INIZCTEOSA-N 1 0 421.542 1.310 20 0 HDADRO CC(C)[C@H]([NH2+]Cc1cnnn1-c1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000676634784 1075626833 /nfs/dbraw/zinc/62/68/33/1075626833.db2.gz PEMOLHPDDHSWIP-FQEVSTJZSA-N 1 0 408.510 1.578 20 0 HDADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)CC2)CC1 ZINC000732105784 1075633357 /nfs/dbraw/zinc/63/33/57/1075633357.db2.gz DKLHBEJRRGNGLP-UHFFFAOYSA-N 1 0 424.567 1.164 20 0 HDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@H](O)Cc2ccccc2)cc1Cl ZINC000509427627 1075639224 /nfs/dbraw/zinc/63/92/24/1075639224.db2.gz YVENHYJWTYJCPJ-QGZVFWFLSA-N 1 0 419.909 1.939 20 0 HDADRO COc1ccccc1Nc1nc(N)nc(CN2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000507919631 1075640464 /nfs/dbraw/zinc/64/04/64/1075640464.db2.gz KQTRYBQIDAAQGB-UHFFFAOYSA-N 1 0 413.526 1.172 20 0 HDADRO COc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(OC)n1 ZINC000676659249 1075640795 /nfs/dbraw/zinc/64/07/95/1075640795.db2.gz LCKOEXPCOBLSLW-AWEZNQCLSA-N 1 0 413.478 1.774 20 0 HDADRO CNS(=O)(=O)c1cc(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)ccc1OC ZINC000732135042 1075645316 /nfs/dbraw/zinc/64/53/16/1075645316.db2.gz MPBNTDRHFLGYLI-UHFFFAOYSA-N 1 0 421.519 1.820 20 0 HDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl ZINC000732138711 1075646935 /nfs/dbraw/zinc/64/69/35/1075646935.db2.gz GCYPJYDTQSRZMB-AWEZNQCLSA-N 1 0 417.959 1.869 20 0 HDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000732139343 1075647272 /nfs/dbraw/zinc/64/72/72/1075647272.db2.gz OGYFEHISCUTMBE-NSHDSACASA-N 1 0 404.330 1.701 20 0 HDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c(C)nc3nc(N)nn3c2C)[C@H](C)C1 ZINC000523755800 1075648985 /nfs/dbraw/zinc/64/89/85/1075648985.db2.gz KNFLAANMJSEMTQ-RDTXWAMCSA-N 1 0 417.558 1.509 20 0 HDADRO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1OC ZINC000732149871 1075649514 /nfs/dbraw/zinc/64/95/14/1075649514.db2.gz SLIGJUCGZHSULF-QLFBSQMISA-N 1 0 404.511 1.274 20 0 HDADRO C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000676702060 1075652063 /nfs/dbraw/zinc/65/20/63/1075652063.db2.gz PKWCJUQNEWZAIU-FYYLOGMGSA-N 1 0 413.610 1.604 20 0 HDADRO COc1ccc(CN(C)C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cn1 ZINC000676692578 1075653221 /nfs/dbraw/zinc/65/32/21/1075653221.db2.gz XCYLEGNDNQJEOA-UHFFFAOYSA-N 1 0 405.543 1.858 20 0 HDADRO COc1cc(CNC(=O)CON=C(N)C[NH+]2CCCCCC2)cc(OC)c1OC ZINC000732195047 1075656542 /nfs/dbraw/zinc/65/65/42/1075656542.db2.gz GEEPAAWNVNHRRP-UHFFFAOYSA-N 1 0 408.499 1.703 20 0 HDADRO CCCCn1c([C@H](CC)[NH+](C)C)nn(CN(C)CC(=O)N2CCOCC2)c1=S ZINC000732179827 1075662155 /nfs/dbraw/zinc/66/21/55/1075662155.db2.gz HEURHOGUXKNOSP-INIZCTEOSA-N 1 0 412.604 1.975 20 0 HDADRO CCOCC[NH+]1CCN(Cn2ncn(-c3cccc(NC(C)=O)c3)c2=S)CC1 ZINC000732180879 1075662463 /nfs/dbraw/zinc/66/24/63/1075662463.db2.gz REONYYODAOBRLG-UHFFFAOYSA-N 1 0 404.540 1.973 20 0 HDADRO COC(=O)CCN(Cc1ccc(F)c(F)c1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000732180673 1075662587 /nfs/dbraw/zinc/66/25/87/1075662587.db2.gz DIILJVJABQBTIC-UHFFFAOYSA-N 1 0 424.448 1.304 20 0 HDADRO CN(CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732183994 1075663015 /nfs/dbraw/zinc/66/30/15/1075663015.db2.gz CTJQOJOXWDHJOZ-MRXNPFEDSA-N 1 0 419.913 1.351 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(F)c(F)cc1Br ZINC000676729352 1075663098 /nfs/dbraw/zinc/66/30/98/1075663098.db2.gz AMJCHSZNTGCUOT-LBPRGKRZSA-N 1 0 418.282 1.864 20 0 HDADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000732211147 1075668417 /nfs/dbraw/zinc/66/84/17/1075668417.db2.gz BGBOCQPJGXUROC-QGZVFWFLSA-N 1 0 409.552 1.793 20 0 HDADRO O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000732212235 1075668850 /nfs/dbraw/zinc/66/88/50/1075668850.db2.gz QGMQMGRAWGHILP-KRWDZBQOSA-N 1 0 402.495 1.041 20 0 HDADRO Cc1cn2c(n1)CN(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)CC2 ZINC000676740251 1075672362 /nfs/dbraw/zinc/67/23/62/1075672362.db2.gz OECQYRUPUXCFES-LJQANCHMSA-N 1 0 409.534 1.951 20 0 HDADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001545675294 1075677912 /nfs/dbraw/zinc/67/79/12/1075677912.db2.gz VOFGEYGWYVASDK-JENIJYKNSA-N 1 0 411.554 1.709 20 0 HDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000732233217 1075685630 /nfs/dbraw/zinc/68/56/30/1075685630.db2.gz YGJBAFOFNJKUBI-RBUKOAKNSA-N 1 0 403.527 1.369 20 0 HDADRO CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)C[C@@H]32)CC1 ZINC001084991795 1075687618 /nfs/dbraw/zinc/68/76/18/1075687618.db2.gz GZQNWEANFVMVIT-QXQWVWGKSA-N 1 0 403.567 1.983 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000804215670 1075689617 /nfs/dbraw/zinc/68/96/17/1075689617.db2.gz AOHXPNFCXWAYLP-BBWFWOEESA-N 1 0 412.575 1.985 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000804215672 1075689823 /nfs/dbraw/zinc/68/98/23/1075689823.db2.gz AOHXPNFCXWAYLP-GVDBMIGSSA-N 1 0 412.575 1.985 20 0 HDADRO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000490991781 1075690684 /nfs/dbraw/zinc/69/06/84/1075690684.db2.gz BWHQZYHCGVFZBR-AOIWGVFYSA-N 1 0 410.570 1.638 20 0 HDADRO COc1cc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc(OC)c1OCC(N)=O ZINC000568447321 1075695723 /nfs/dbraw/zinc/69/57/23/1075695723.db2.gz OBWZIXDYZNQZQW-AWEZNQCLSA-N 1 0 401.467 1.320 20 0 HDADRO CN1CCN([C@H](C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccccc2)CC1 ZINC000732307488 1075695636 /nfs/dbraw/zinc/69/56/36/1075695636.db2.gz HDFFPLLFTRFSHR-VXKWHMMOSA-N 1 0 400.567 1.735 20 0 HDADRO CCCCCC[N@H+](C)CC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000732284828 1075697835 /nfs/dbraw/zinc/69/78/35/1075697835.db2.gz DGEREMUHVCNPJX-UHFFFAOYSA-N 1 0 410.584 1.755 20 0 HDADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)c1nnc2ccccc2c1O ZINC000732287022 1075698557 /nfs/dbraw/zinc/69/85/57/1075698557.db2.gz MGKJCXCXPVCGOB-UHFFFAOYSA-N 1 0 407.478 1.458 20 0 HDADRO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1=O ZINC000429468052 1075699146 /nfs/dbraw/zinc/69/91/46/1075699146.db2.gz LEFYKUGKZRLHQQ-MOXGXCLJSA-N 1 0 400.523 1.452 20 0 HDADRO CN(C)C(=O)Cn1ccc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000562140828 1075701624 /nfs/dbraw/zinc/70/16/24/1075701624.db2.gz ZMYPBLBKGPRJKT-QFIPXVFZSA-N 1 0 410.522 2.101 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000429467921 1075706477 /nfs/dbraw/zinc/70/64/77/1075706477.db2.gz PGHFBXYMCPRPCL-MSOLQXFVSA-N 1 0 418.538 1.325 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000429467927 1075706619 /nfs/dbraw/zinc/70/66/19/1075706619.db2.gz PGHFBXYMCPRPCL-ROUUACIJSA-N 1 0 418.538 1.325 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCc3nncn3C3CC3)c(C)c2)CC1 ZINC000429469726 1075712717 /nfs/dbraw/zinc/71/27/17/1075712717.db2.gz DINYWOISLVHDQS-UHFFFAOYSA-N 1 0 411.510 1.318 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CCC1 ZINC000500467596 1075717610 /nfs/dbraw/zinc/71/76/10/1075717610.db2.gz MXGVBEJHTLJHGD-UHFFFAOYSA-N 1 0 401.433 1.619 20 0 HDADRO CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000509256741 1075720023 /nfs/dbraw/zinc/72/00/23/1075720023.db2.gz 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C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000571388985 1075732705 /nfs/dbraw/zinc/73/27/05/1075732705.db2.gz ZVFSFBSYRLVWKV-HIFRSBDPSA-N 1 0 409.412 2.074 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)n1 ZINC000551247047 1075733308 /nfs/dbraw/zinc/73/33/08/1075733308.db2.gz KVFQMWVSOKIQIU-UHFFFAOYSA-N 1 0 421.299 2.057 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(C(=O)c3ccccc3)c2)n1 ZINC000581221647 1075733436 /nfs/dbraw/zinc/73/34/36/1075733436.db2.gz UABXOWMMTABWTJ-UHFFFAOYSA-N 1 0 405.458 2.253 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)n1 ZINC000550799589 1075733508 /nfs/dbraw/zinc/73/35/08/1075733508.db2.gz QIHLSOFMVMTBRI-UHFFFAOYSA-N 1 0 409.450 1.949 20 0 HDADRO C[C@@H]1[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC(=O)N1Cc1ccccc1 ZINC000439411456 1075734341 /nfs/dbraw/zinc/73/43/41/1075734341.db2.gz NTKPWSWTQCCQDA-VQIMIIECSA-N 1 0 410.522 2.461 20 0 HDADRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509257789 1075734588 /nfs/dbraw/zinc/73/45/88/1075734588.db2.gz VOXRWGJKWHHWSP-HZPDHXFCSA-N 1 0 414.597 1.740 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)NCc2cc3c(c(Br)c2)OCO3)n1 ZINC000438694155 1075737986 /nfs/dbraw/zinc/73/79/86/1075737986.db2.gz IJYMQTRPADEXDK-UHFFFAOYSA-N 1 0 410.272 2.258 20 0 HDADRO CN1C(=O)C[C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000484320107 1075738403 /nfs/dbraw/zinc/73/84/03/1075738403.db2.gz ULNJQFGOOLKZJP-QAPCUYQASA-N 1 0 406.437 1.816 20 0 HDADRO CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509258463 1075739061 /nfs/dbraw/zinc/73/90/61/1075739061.db2.gz ZRYYWJKBPMRVRZ-MRXNPFEDSA-N 1 0 416.613 1.988 20 0 HDADRO COc1cc(C[NH2+][C@H](CO)CC2CCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000509445957 1075744119 /nfs/dbraw/zinc/74/41/19/1075744119.db2.gz FZXIEXVCNKZXQK-IBGZPJMESA-N 1 0 406.523 1.964 20 0 HDADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509259558 1075745345 /nfs/dbraw/zinc/74/53/45/1075745345.db2.gz VNCUIFSDIUICEM-HUUCEWRRSA-N 1 0 400.570 1.494 20 0 HDADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCCC[C@@H]3CN3CCCC3=O)ccn2)CC1 ZINC000732446150 1075746759 /nfs/dbraw/zinc/74/67/59/1075746759.db2.gz IANCMLWSPFZBGL-LJQANCHMSA-N 1 0 414.554 1.520 20 0 HDADRO Cn1ncc2c1nc(NC[C@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)nc2N ZINC000581774746 1075748574 /nfs/dbraw/zinc/74/85/74/1075748574.db2.gz LYJULFJPHJGQOT-KRWDZBQOSA-N 1 0 407.522 2.286 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)Nc1ccn(CCN2CCOCC2)n1)c1cccc(F)c1 ZINC000605429805 1075748666 /nfs/dbraw/zinc/74/86/66/1075748666.db2.gz ZNFHBONRTIPPOY-SFHVURJKSA-N 1 0 404.490 1.779 20 0 HDADRO COCC(C)(C)[N@H+](C)CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000429268506 1075750019 /nfs/dbraw/zinc/75/00/19/1075750019.db2.gz CEESPEHPCYCVRH-UHFFFAOYSA-N 1 0 411.568 1.834 20 0 HDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000732463239 1075751169 /nfs/dbraw/zinc/75/11/69/1075751169.db2.gz LGFNFNFXLOSJIC-IEBWSBKVSA-N 1 0 404.511 1.919 20 0 HDADRO C[C@H](CCNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[N@H+](C)Cc1ccccc1 ZINC000446731531 1075752015 /nfs/dbraw/zinc/75/20/15/1075752015.db2.gz JBCMWRRFIIGNNT-CQSZACIVSA-N 1 0 411.428 2.411 20 0 HDADRO CCCCNS(=O)(=O)c1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)c1 ZINC000732467256 1075754142 /nfs/dbraw/zinc/75/41/42/1075754142.db2.gz TVQRKHHPSHRQGD-QGZVFWFLSA-N 1 0 412.556 1.997 20 0 HDADRO Cn1c(C[C@@H]2CCS(=O)(=O)C2)nn(CN2CCN(c3cc[nH+]cc3)CC2)c1=S ZINC000732470360 1075756134 /nfs/dbraw/zinc/75/61/34/1075756134.db2.gz AJNPWDSSTBLWMN-HNNXBMFYSA-N 1 0 422.580 1.103 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000429478973 1075764423 /nfs/dbraw/zinc/76/44/23/1075764423.db2.gz VJZMUEWAYSADOO-NSHDSACASA-N 1 0 413.400 1.537 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462185960 1075764929 /nfs/dbraw/zinc/76/49/29/1075764929.db2.gz IRTXQVXPTOKTNM-LIRRHRJNSA-N 1 0 407.522 1.893 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000644695665 1075765515 /nfs/dbraw/zinc/76/55/15/1075765515.db2.gz ZABGVDGWSXUBGF-QGZVFWFLSA-N 1 0 409.494 1.461 20 0 HDADRO Nc1nc(C2CC2)ncc1C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000497771160 1075767286 /nfs/dbraw/zinc/76/72/86/1075767286.db2.gz HMXWJDHQBHEKAB-UHFFFAOYSA-N 1 0 408.506 1.692 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000429479329 1075767560 /nfs/dbraw/zinc/76/75/60/1075767560.db2.gz WXYVERLWJYMSRX-QGZVFWFLSA-N 1 0 418.538 1.183 20 0 HDADRO Nc1nsc(N2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)CC2)n1 ZINC000552866257 1075767799 /nfs/dbraw/zinc/76/77/99/1075767799.db2.gz VRSZLDVOYVPDDG-UHFFFAOYSA-N 1 0 402.528 1.264 20 0 HDADRO Nc1nsc(N2CCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000472307326 1075768197 /nfs/dbraw/zinc/76/81/97/1075768197.db2.gz YHXCEAUIVLXYTM-MRXNPFEDSA-N 1 0 401.540 1.474 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000804222964 1075774932 /nfs/dbraw/zinc/77/49/32/1075774932.db2.gz FRPKOOATDGKTIY-HOTGVXAUSA-N 1 0 410.559 1.739 20 0 HDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)CCC(=O)c3ccc4c(c3)CCC(=O)N4)C2)CC1 ZINC000466646658 1075779149 /nfs/dbraw/zinc/77/91/49/1075779149.db2.gz CYYVKGQTZWXXLX-IBGZPJMESA-N 1 0 412.534 1.773 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCc3ccccc3OC3CCC3)n2)CC1 ZINC000427078298 1075780217 /nfs/dbraw/zinc/78/02/17/1075780217.db2.gz UODHFGIILZOJMA-UHFFFAOYSA-N 1 0 411.506 2.336 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)CNC(=O)c3ccccc3OC(F)F)n2)CC1 ZINC000428333824 1075781842 /nfs/dbraw/zinc/78/18/42/1075781842.db2.gz UPOIKKYMGFZCTB-UHFFFAOYSA-N 1 0 407.421 2.120 20 0 HDADRO CN(C(=O)CN1c2ccccc2OCCC1=O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732558958 1075785488 /nfs/dbraw/zinc/78/54/88/1075785488.db2.gz FLZBWPKEMHPYJV-SFHVURJKSA-N 1 0 400.523 1.429 20 0 HDADRO COc1cc2c(cc1OC)CN(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000016341126 1075786036 /nfs/dbraw/zinc/78/60/36/1075786036.db2.gz IIKJHEVETNIXKA-IBGZPJMESA-N 1 0 405.539 1.535 20 0 HDADRO Cc1nnnn1/C(=C/c1ccccc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732558580 1075786003 /nfs/dbraw/zinc/78/60/03/1075786003.db2.gz BSUKLYAVZOQAFN-LNKKFFRNSA-N 1 0 409.538 1.607 20 0 HDADRO CN(C(=O)C1CCN(C(=O)c2cccnc2)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732561551 1075788394 /nfs/dbraw/zinc/78/83/94/1075788394.db2.gz ACMAHFCZHVYYIP-OAQYLSRUSA-N 1 0 413.566 1.561 20 0 HDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ncn(Cc4ccc(Cl)cc4)n3)CC[C@@H]21 ZINC000484434790 1075790483 /nfs/dbraw/zinc/79/04/83/1075790483.db2.gz DVKQRFOIXWIMGD-RDJZCZTQSA-N 1 0 416.913 1.861 20 0 HDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000804239177 1075794647 /nfs/dbraw/zinc/79/46/47/1075794647.db2.gz VQFNOIGZVSEEAX-CNXQINBVSA-N 1 0 424.586 1.986 20 0 HDADRO COc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000142852406 1075795053 /nfs/dbraw/zinc/79/50/53/1075795053.db2.gz RLIHLZLJVFVLSP-HNNXBMFYSA-N 1 0 409.439 1.233 20 0 HDADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(S(C)(=O)=O)cn2)[C@H](c2cnn(C)c2)C1 ZINC001129302044 1075795923 /nfs/dbraw/zinc/79/59/23/1075795923.db2.gz RHBWXNQREPJKKZ-IRXDYDNUSA-N 1 0 405.524 1.671 20 0 HDADRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccn(-c4ncccc4C(F)(F)F)n3)C2)C1 ZINC000556491057 1075797369 /nfs/dbraw/zinc/79/73/69/1075797369.db2.gz SZRURCLAZVQWIK-GOSISDBHSA-N 1 0 422.411 1.779 20 0 HDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000804243869 1075798962 /nfs/dbraw/zinc/79/89/62/1075798962.db2.gz LSBMNTWPONIVEM-OPQOLIRYSA-N 1 0 423.579 1.636 20 0 HDADRO CNC(=O)COc1cccc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000483482254 1075804176 /nfs/dbraw/zinc/80/41/76/1075804176.db2.gz ZRKWTFQNCLDSTL-UHFFFAOYSA-N 1 0 400.483 1.596 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446729332 1075809370 /nfs/dbraw/zinc/80/93/70/1075809370.db2.gz PEDMSKLRMIBDPH-HNNXBMFYSA-N 1 0 423.439 2.507 20 0 HDADRO 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C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCS(=O)(=O)N1CCOCC1)c1ccccc1 ZINC000733647076 1076139670 /nfs/dbraw/zinc/13/96/70/1076139670.db2.gz VKKPMMZKTNLVOM-MRXNPFEDSA-N 1 0 412.556 1.077 20 0 HDADRO C[NH+](C)C1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(C)CCOC3)cc2F)CC1 ZINC000733666755 1076147221 /nfs/dbraw/zinc/14/72/21/1076147221.db2.gz BTNVDDPQLNAWAX-OAQYLSRUSA-N 1 0 406.502 1.837 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@H]2OCCc3ccccc32)CC1 ZINC000733667261 1076147276 /nfs/dbraw/zinc/14/72/76/1076147276.db2.gz VURBDQOEVJTCQF-NRFANRHFSA-N 1 0 408.502 1.807 20 0 HDADRO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000733669911 1076152043 /nfs/dbraw/zinc/15/20/43/1076152043.db2.gz NAVWLHNHCDHSQH-MRXNPFEDSA-N 1 0 424.567 1.049 20 0 HDADRO COc1c(F)cc(Br)cc1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000751426183 1076158543 /nfs/dbraw/zinc/15/85/43/1076158543.db2.gz VCVHELGYZWHXSA-UHFFFAOYSA-N 1 0 411.293 1.332 20 0 HDADRO CCN(CCO)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727611920 1076181356 /nfs/dbraw/zinc/18/13/56/1076181356.db2.gz AKRAHVMGICNTAS-UHFFFAOYSA-N 1 0 404.511 1.671 20 0 HDADRO NC(=O)CCCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727612616 1076182737 /nfs/dbraw/zinc/18/27/37/1076182737.db2.gz OMCSCRYLPXVKGI-UHFFFAOYSA-N 1 0 417.510 1.211 20 0 HDADRO COCC[N@H+](CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)C1CCCC1 ZINC000733793538 1076199828 /nfs/dbraw/zinc/19/98/28/1076199828.db2.gz HVGSQSLCNCQYSE-OAQYLSRUSA-N 1 0 418.494 1.384 20 0 HDADRO C[NH+](C)C1(CNC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCOCC1 ZINC000733809466 1076211206 /nfs/dbraw/zinc/21/12/06/1076211206.db2.gz PVTKRRBUGCXZQV-UHFFFAOYSA-N 1 0 424.505 1.681 20 0 HDADRO CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1 ZINC000733795267 1076215338 /nfs/dbraw/zinc/21/53/38/1076215338.db2.gz WFRNYACZTVPIIL-SFHVURJKSA-N 1 0 418.538 1.899 20 0 HDADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000733796912 1076216785 /nfs/dbraw/zinc/21/67/85/1076216785.db2.gz PVAPRAJCBXJFNI-UHFFFAOYSA-N 1 0 404.554 1.215 20 0 HDADRO COc1ccccc1[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1nccn1C ZINC000733846095 1076217685 /nfs/dbraw/zinc/21/76/85/1076217685.db2.gz MCLPPMOCYVYXLC-GOSISDBHSA-N 1 0 401.511 1.928 20 0 HDADRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000727762583 1076217774 /nfs/dbraw/zinc/21/77/74/1076217774.db2.gz MHUWCZNOHADGAT-CQSZACIVSA-N 1 0 417.959 1.915 20 0 HDADRO COc1ccc(OC)c2c1CN(C(=O)C(=O)Nc1ccn(-c3cc[nH+]cc3)n1)C[C@H]2O ZINC000733850191 1076227478 /nfs/dbraw/zinc/22/74/78/1076227478.db2.gz LEJJTRSIPBBHKE-OAHLLOKOSA-N 1 0 423.429 1.299 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCC[NH+](C(C)C)C(C)C)C2)no1 ZINC000532845708 1076240551 /nfs/dbraw/zinc/24/05/51/1076240551.db2.gz YVJMDEXYWKTTOD-QGZVFWFLSA-N 1 0 408.547 1.883 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C2)no1 ZINC000533584716 1076243663 /nfs/dbraw/zinc/24/36/63/1076243663.db2.gz QRIBOGPEWNBNCB-ROUUACIJSA-N 1 0 419.526 1.225 20 0 HDADRO CN1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000535312472 1076252591 /nfs/dbraw/zinc/25/25/91/1076252591.db2.gz CJNUSNMMELMQPU-JOCHJYFZSA-N 1 0 421.545 1.675 20 0 HDADRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000536532031 1076256534 /nfs/dbraw/zinc/25/65/34/1076256534.db2.gz NAQFTIALLFFVMQ-ZBFHGGJFSA-N 1 0 422.455 1.844 20 0 HDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000144355509 1076257836 /nfs/dbraw/zinc/25/78/36/1076257836.db2.gz ZNAZIGGHWJNJDN-GFCCVEGCSA-N 1 0 401.916 1.231 20 0 HDADRO CC(C)[NH+]1CCC(NC(=O)CSc2nnc(COc3ccc(F)cc3)n2N)CC1 ZINC000733902872 1076261959 /nfs/dbraw/zinc/26/19/59/1076261959.db2.gz CBQPVDQSNJPEGN-UHFFFAOYSA-N 1 0 422.530 1.791 20 0 HDADRO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000727836763 1076265772 /nfs/dbraw/zinc/26/57/72/1076265772.db2.gz VYIMQTUOFLFRBJ-INIZCTEOSA-N 1 0 411.959 1.649 20 0 HDADRO CCCC1N=NC(=S)N1CC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000727859818 1076274622 /nfs/dbraw/zinc/27/46/22/1076274622.db2.gz BZHYRULAIKHDGE-QGZVFWFLSA-N 1 0 402.568 1.624 20 0 HDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000727860163 1076274701 /nfs/dbraw/zinc/27/47/01/1076274701.db2.gz UXIRQQRRUAZXSM-HNNXBMFYSA-N 1 0 405.524 1.469 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000727886848 1076276190 /nfs/dbraw/zinc/27/61/90/1076276190.db2.gz SWIGPKNKIDTYMM-HNNXBMFYSA-N 1 0 418.519 1.835 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)CC1 ZINC000734012803 1076289629 /nfs/dbraw/zinc/28/96/29/1076289629.db2.gz MGAAJAUEFPAPKL-HXUWFJFHSA-N 1 0 412.481 1.414 20 0 HDADRO CN(Cc1cccc(C(N)=O)c1)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000727945078 1076292833 /nfs/dbraw/zinc/29/28/33/1076292833.db2.gz IQDZQDZSCZBOMQ-OAQYLSRUSA-N 1 0 409.534 1.916 20 0 HDADRO CCOC(=O)N[C@@H]1CCCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000727946452 1076293124 /nfs/dbraw/zinc/29/31/24/1076293124.db2.gz ZZIZNZMFQOGJIW-WOJBJXKFSA-N 1 0 417.554 1.895 20 0 HDADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000727953105 1076296553 /nfs/dbraw/zinc/29/65/53/1076296553.db2.gz WUJJDADVOAHKDA-UHFFFAOYSA-N 1 0 415.538 1.270 20 0 HDADRO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000728020817 1076306216 /nfs/dbraw/zinc/30/62/16/1076306216.db2.gz FAZQCDHFAKDAIN-LQAFDQLZSA-N 1 0 417.579 1.707 20 0 HDADRO O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000728052668 1076320133 /nfs/dbraw/zinc/32/01/33/1076320133.db2.gz ATISQBDHSPFSQH-QGZVFWFLSA-N 1 0 402.495 1.448 20 0 HDADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCC[C@H](C4OCCO4)C3)CC2)C1 ZINC000728053698 1076320415 /nfs/dbraw/zinc/32/04/15/1076320415.db2.gz PZUXLUNCFQEZOG-HKUYNNGSSA-N 1 0 407.555 1.568 20 0 HDADRO O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000728053561 1076320732 /nfs/dbraw/zinc/32/07/32/1076320732.db2.gz OWKSKRXHMSMMNB-SFHVURJKSA-N 1 0 407.555 1.759 20 0 HDADRO CC(=O)[C@H]1CC(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)=NN1c1ccccc1 ZINC000728073102 1076333883 /nfs/dbraw/zinc/33/38/83/1076333883.db2.gz PUTIORJDNRJGLM-VQTJNVASSA-N 1 0 413.522 1.269 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)C1 ZINC000728077825 1076334116 /nfs/dbraw/zinc/33/41/16/1076334116.db2.gz ONWVANCTKQFWDK-CQSZACIVSA-N 1 0 416.453 1.988 20 0 HDADRO Cc1cc(=O)oc2cc(OCC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc12 ZINC000728077396 1076334386 /nfs/dbraw/zinc/33/43/86/1076334386.db2.gz ILFXHVNODBQYTK-OAHLLOKOSA-N 1 0 401.463 1.184 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 ZINC000728077445 1076334503 /nfs/dbraw/zinc/33/45/03/1076334503.db2.gz JAKFHKWFJMIILN-DLBZAZTESA-N 1 0 420.941 1.392 20 0 HDADRO C[N@H+](CCOc1cccc(CNC(=O)NC[C@H](O)C(F)(F)F)c1)C1CCOCC1 ZINC000728134818 1076339672 /nfs/dbraw/zinc/33/96/72/1076339672.db2.gz MVGACDNQWPUFSY-KRWDZBQOSA-N 1 0 419.444 1.899 20 0 HDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728140704 1076341638 /nfs/dbraw/zinc/34/16/38/1076341638.db2.gz DPFUYBJCLKZWND-JKSUJKDBSA-N 1 0 406.502 1.837 20 0 HDADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H](O)COc2cccc(F)c2)cc1 ZINC000728140165 1076341905 /nfs/dbraw/zinc/34/19/05/1076341905.db2.gz VSYFYRRTPYRIAY-GOSISDBHSA-N 1 0 403.454 1.424 20 0 HDADRO CC[C@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)[N@@H+]1CCc2ccccc2C1 ZINC000728151761 1076348131 /nfs/dbraw/zinc/34/81/31/1076348131.db2.gz DTEJOEKANPANOE-XLIONFOSSA-N 1 0 414.531 1.670 20 0 HDADRO CCOC(=O)Nc1ccc2c(C[NH+]3CCC4(CC3)NC(=O)NC4=O)cc(=O)oc2c1 ZINC000728153014 1076348561 /nfs/dbraw/zinc/34/85/61/1076348561.db2.gz SVQJIFYIJKVXQE-UHFFFAOYSA-N 1 0 414.418 1.535 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)CC1 ZINC000497568088 1076352285 /nfs/dbraw/zinc/35/22/85/1076352285.db2.gz PPSQWWFNKJOHCX-SFHVURJKSA-N 1 0 418.435 1.601 20 0 HDADRO C[C@H](NC(=O)N(CCO)CCN1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498692327 1076355692 /nfs/dbraw/zinc/35/56/92/1076355692.db2.gz XQIOCNBHYCYBTP-PZJWPPBQSA-N 1 0 404.555 1.233 20 0 HDADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)[nH]c(=O)n(-c2ccccc2)c3=O)C1 ZINC000729984246 1076407405 /nfs/dbraw/zinc/40/74/05/1076407405.db2.gz YEDJGBKXZIMTMX-KRWDZBQOSA-N 1 0 422.485 1.932 20 0 HDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000729982868 1076407513 /nfs/dbraw/zinc/40/75/13/1076407513.db2.gz ILTSQAVNKQXSET-MRXNPFEDSA-N 1 0 424.505 1.681 20 0 HDADRO Cc1occc1C(=O)Nc1nc(CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cs1 ZINC000730083325 1076431451 /nfs/dbraw/zinc/43/14/51/1076431451.db2.gz IIAXGIMQMNOGFF-IRXDYDNUSA-N 1 0 418.519 1.897 20 0 HDADRO Cc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000730083366 1076432039 /nfs/dbraw/zinc/43/20/39/1076432039.db2.gz JEFUBBJSDMJFDI-ZWKOTPCHSA-N 1 0 415.563 1.990 20 0 HDADRO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000730085103 1076432399 /nfs/dbraw/zinc/43/23/99/1076432399.db2.gz ATNKHAXOTZHJHY-UFYCRDLUSA-N 1 0 414.506 1.242 20 0 HDADRO Cc1cnn(CC[N@@H+]2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000730087045 1076441480 /nfs/dbraw/zinc/44/14/80/1076441480.db2.gz TYILTSSKQCVNJZ-SFHVURJKSA-N 1 0 405.543 1.983 20 0 HDADRO O=C(c1cccc(CN2C(=O)CSC2=O)c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000730087292 1076441755 /nfs/dbraw/zinc/44/17/55/1076441755.db2.gz UFHSHDAQVCRYIC-SJORKVTESA-N 1 0 403.504 1.553 20 0 HDADRO C[C@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000730099661 1076452108 /nfs/dbraw/zinc/45/21/08/1076452108.db2.gz MJXHVPZPQNNJRP-DOTOQJQBSA-N 1 0 414.572 1.318 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000730130196 1076459367 /nfs/dbraw/zinc/45/93/67/1076459367.db2.gz HZZLQPYRXAVBTG-LBPRGKRZSA-N 1 0 413.316 1.978 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000730132753 1076459551 /nfs/dbraw/zinc/45/95/51/1076459551.db2.gz YZMWYOOWNGQJDN-MSOLQXFVSA-N 1 0 411.591 1.911 20 0 HDADRO O=C(Nc1ccccc1)NC1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000730125441 1076465402 /nfs/dbraw/zinc/46/54/02/1076465402.db2.gz HUFJXEYXFUSHGL-RTBURBONSA-N 1 0 401.511 1.845 20 0 HDADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730212895 1076478372 /nfs/dbraw/zinc/47/83/72/1076478372.db2.gz HYGSDFVRBUBAFY-MRXNPFEDSA-N 1 0 405.470 1.570 20 0 HDADRO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n(C)c2)C1 ZINC000730216912 1076479089 /nfs/dbraw/zinc/47/90/89/1076479089.db2.gz VZHYRHMWRPDODJ-BRWVUGGUSA-N 1 0 424.567 1.039 20 0 HDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730217333 1076479519 /nfs/dbraw/zinc/47/95/19/1076479519.db2.gz JICGYLBVTMOADM-OAHLLOKOSA-N 1 0 407.486 1.911 20 0 HDADRO 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ZINC000730682395 1076637635 /nfs/dbraw/zinc/63/76/35/1076637635.db2.gz XLIWBMFNSIIDBU-UHFFFAOYSA-N 1 0 411.506 1.447 20 0 HDADRO Cc1cccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2=O)c1 ZINC000730774130 1076650306 /nfs/dbraw/zinc/65/03/06/1076650306.db2.gz VBAGBIMTXILYSV-FGTMMUONSA-N 1 0 400.479 1.179 20 0 HDADRO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000730796722 1076653053 /nfs/dbraw/zinc/65/30/53/1076653053.db2.gz NUUCNMRWGSJBRS-LBPRGKRZSA-N 1 0 416.341 1.797 20 0 HDADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)C2=O)cc1 ZINC000730788230 1076658536 /nfs/dbraw/zinc/65/85/36/1076658536.db2.gz XZVQUFWRFSFKMH-DMPWYTOCSA-N 1 0 416.522 1.841 20 0 HDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)C1 ZINC000730789675 1076659411 /nfs/dbraw/zinc/65/94/11/1076659411.db2.gz RTWCZGWBEYMRRU-CQSZACIVSA-N 1 0 401.504 1.305 20 0 HDADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 ZINC000730935319 1076695958 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NC(=O)c1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981275 722107126 /nfs/dbraw/zinc/10/71/26/722107126.db2.gz KXPCTLHGIXQQDQ-GOEBONIOSA-N 1 0 402.886 1.351 20 0 HDADRO CCOC(=O)Cc1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979161 722124460 /nfs/dbraw/zinc/12/44/60/722124460.db2.gz PHDIBMFPQHVEEI-WOJBJXKFSA-N 1 0 411.506 1.705 20 0 HDADRO NC(=O)c1nc(Cl)cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971039 722125839 /nfs/dbraw/zinc/12/58/39/722125839.db2.gz BDTSVNKZSVLXCB-GJZGRUSLSA-N 1 0 402.886 1.351 20 0 HDADRO NC(=O)c1c(Cl)ncnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982228 722126500 /nfs/dbraw/zinc/12/65/00/722126500.db2.gz WOUFEDGDMAAZNC-CABCVRRESA-N 1 0 402.886 1.351 20 0 HDADRO O=c1ccccn1-c1nccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984172 722145514 /nfs/dbraw/zinc/14/55/14/722145514.db2.gz VZGLUORVFBXXCA-UXHICEINSA-N 1 0 418.501 1.750 20 0 HDADRO CN1CCN(c2nccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978905 722149633 /nfs/dbraw/zinc/14/96/33/722149633.db2.gz KRHGRMNBNJXEOD-SFTDATJTSA-N 1 0 423.565 1.351 20 0 HDADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(Cn3ccccc3=O)cn1)CCC2 ZINC001165003856 722256834 /nfs/dbraw/zinc/25/68/34/722256834.db2.gz JVZCERJKRMOODB-UHFFFAOYSA-N 1 0 422.533 1.977 20 0 HDADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000429044449 1073456926 /nfs/dbraw/zinc/45/69/26/1073456926.db2.gz UIZMCLQOOJSHKV-UGKGYDQZSA-N 1 0 400.523 1.589 20 0 HDADRO COCCNC(=O)C1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000673634784 1073457653 /nfs/dbraw/zinc/45/76/53/1073457653.db2.gz UBCKSQPQQKPAPI-UHFFFAOYSA-N 1 0 402.539 1.049 20 0 HDADRO COC(=O)C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000429046415 1073462488 /nfs/dbraw/zinc/46/24/88/1073462488.db2.gz NJCJXIBVQAOVHM-RTBURBONSA-N 1 0 405.495 1.251 20 0 HDADRO CCOC(=O)C1CCC(O)(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1 ZINC000429049035 1073469861 /nfs/dbraw/zinc/46/98/61/1073469861.db2.gz 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ZINC000673838476 1073811987 /nfs/dbraw/zinc/81/19/87/1073811987.db2.gz NSRMBYKCVPPLMV-INIZCTEOSA-N 1 0 403.918 1.278 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@H]3CCCN3c3ncccn3)c2)C1 ZINC000673837998 1073812692 /nfs/dbraw/zinc/81/26/92/1073812692.db2.gz QNLWEMLSRKMMAG-WOJBJXKFSA-N 1 0 422.533 1.459 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000673848312 1073814004 /nfs/dbraw/zinc/81/40/04/1073814004.db2.gz PVTWSPKQFIWJHV-OAHLLOKOSA-N 1 0 422.327 1.622 20 0 HDADRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673849598 1073815246 /nfs/dbraw/zinc/81/52/46/1073815246.db2.gz DEHBBVKFGASMHG-PZJWPPBQSA-N 1 0 414.550 1.978 20 0 HDADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2c2ncccn2)CC1 ZINC000673842242 1073818554 /nfs/dbraw/zinc/81/85/54/1073818554.db2.gz SNWIDDUVXTYBLZ-FQEVSTJZSA-N 1 0 424.549 1.735 20 0 HDADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CCCN3c3ncccn3)cc2)CC1 ZINC000673844185 1073820003 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ZINC000673913594 1073880555 /nfs/dbraw/zinc/88/05/55/1073880555.db2.gz QAIDVNONVUVQHH-AUUYWEPGSA-N 1 0 404.511 1.839 20 0 HDADRO COc1cc(NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c(C)cc1C ZINC000483909419 1073896553 /nfs/dbraw/zinc/89/65/53/1073896553.db2.gz UZBZGPKXAFFYLC-UHFFFAOYSA-N 1 0 404.511 1.309 20 0 HDADRO CCOc1cc(NC2CCN(C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ncn1 ZINC000466557873 1073900232 /nfs/dbraw/zinc/90/02/32/1073900232.db2.gz YXYHZLSWPIYLEQ-IAGOWNOFSA-N 1 0 420.558 1.961 20 0 HDADRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@@H]1CCCOC1 ZINC000543507166 1073900319 /nfs/dbraw/zinc/90/03/19/1073900319.db2.gz NZPKMQRMSHSWET-IEBWSBKVSA-N 1 0 423.579 1.882 20 0 HDADRO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(N4CCCC4=O)cc3)cn2)CC1 ZINC000014521090 1073901907 /nfs/dbraw/zinc/90/19/07/1073901907.db2.gz NPMCPVQSEBCYAX-UHFFFAOYSA-N 1 0 409.490 1.978 20 0 HDADRO CNS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)ccc1OC ZINC000014521230 1073902405 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JQMWBTHJKZAYDW-DNMXQMFDSA-N 1 0 414.506 1.668 20 0 HDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)C1 ZINC000467668140 1073957184 /nfs/dbraw/zinc/95/71/84/1073957184.db2.gz OTSAKVSQWUWOMX-ZDUSSCGKSA-N 1 0 423.535 1.579 20 0 HDADRO CNC(=O)N[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000466568443 1073958623 /nfs/dbraw/zinc/95/86/23/1073958623.db2.gz YAASYWCJPDBTBH-GOSISDBHSA-N 1 0 402.543 1.302 20 0 HDADRO CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001005021246 1073963343 /nfs/dbraw/zinc/96/33/43/1073963343.db2.gz GOYYMEXEMZNCLZ-QQXKLLMISA-N 1 0 403.527 1.122 20 0 HDADRO Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001005044323 1073973814 /nfs/dbraw/zinc/97/38/14/1073973814.db2.gz VAIQYXUKVFMWRO-SVEODPQUSA-N 1 0 404.474 1.733 20 0 HDADRO C[NH+]1CCC(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2OC[C@@H]4COCC[C@H]24)C3)CC1 ZINC001005048160 1073993601 /nfs/dbraw/zinc/99/36/01/1073993601.db2.gz YFKDLNJRASZHMI-WGEHRRGWSA-N 1 0 405.539 1.018 20 0 HDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N1CCCc2ccc(F)cc21 ZINC000543527477 1074010044 /nfs/dbraw/zinc/01/00/44/1074010044.db2.gz DVEQEPMZXFDHCT-FQEVSTJZSA-N 1 0 411.477 1.988 20 0 HDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)C1 ZINC000543531085 1074022756 /nfs/dbraw/zinc/02/27/56/1074022756.db2.gz HECQORTUDIJZQB-HNNXBMFYSA-N 1 0 412.494 1.066 20 0 HDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 ZINC000543532413 1074024933 /nfs/dbraw/zinc/02/49/33/1074024933.db2.gz VOZNVZLFVNDWSG-INIZCTEOSA-N 1 0 412.494 1.209 20 0 HDADRO Cc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(=O)[nH]1 ZINC000543532546 1074028751 /nfs/dbraw/zinc/02/87/51/1074028751.db2.gz HKPKIWZUZNNCSE-HZPDHXFCSA-N 1 0 412.490 1.960 20 0 HDADRO CC(C)(C)N1C[C@H](NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000429190086 1074030157 /nfs/dbraw/zinc/03/01/57/1074030157.db2.gz MCUDUIDVKRMJQH-LJQANCHMSA-N 1 0 401.555 1.503 20 0 HDADRO CCOC(=O)[C@@]1(C)CN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCO1 ZINC001649122446 1074035385 /nfs/dbraw/zinc/03/53/85/1074035385.db2.gz PLTWYUJRBGKDBY-AUUYWEPGSA-N 1 0 401.504 1.012 20 0 HDADRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCN2C(=O)COC)[NH+](C)C ZINC000543536150 1074038385 /nfs/dbraw/zinc/03/83/85/1074038385.db2.gz XOXCJRFVXIORTB-LJQANCHMSA-N 1 0 418.538 1.643 20 0 HDADRO CCCn1nccc1NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1 ZINC001273122607 1074040080 /nfs/dbraw/zinc/04/00/80/1074040080.db2.gz VXCJRKGDCHQXGB-LCEIHVTHSA-N 1 0 401.511 1.284 20 0 HDADRO Cn1cc(N2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2=O)cn1 ZINC000429192592 1074040300 /nfs/dbraw/zinc/04/03/00/1074040300.db2.gz IFGWCZXXINHHHD-KRWDZBQOSA-N 1 0 400.483 1.599 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)Nc3cnc(C(C)(C)C)nc3)CC2)CC1 ZINC000543536999 1074044745 /nfs/dbraw/zinc/04/47/45/1074044745.db2.gz YADUDAHXHZVWLD-UHFFFAOYSA-N 1 0 416.570 1.589 20 0 HDADRO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000674004254 1074048284 /nfs/dbraw/zinc/04/82/84/1074048284.db2.gz ZGTQADZVUMERNM-UHFFFAOYSA-N 1 0 424.567 1.183 20 0 HDADRO Nc1ccccc1S(=O)(=O)NCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000670452277 1074048572 /nfs/dbraw/zinc/04/85/72/1074048572.db2.gz JFWGQDJVJGZUQI-UHFFFAOYSA-N 1 0 402.520 1.282 20 0 HDADRO CNC(=O)N[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000466593423 1074053441 /nfs/dbraw/zinc/05/34/41/1074053441.db2.gz PQRQSTJDYYMOLU-SFHVURJKSA-N 1 0 403.527 1.620 20 0 HDADRO O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000674006671 1074054345 /nfs/dbraw/zinc/05/43/45/1074054345.db2.gz YGYLOQLFNJZYKN-SJORKVTESA-N 1 0 406.470 1.725 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000506500089 1074056863 /nfs/dbraw/zinc/05/68/63/1074056863.db2.gz OCBBLXUYEDUVRB-MRXNPFEDSA-N 1 0 402.543 1.992 20 0 HDADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC(=O)N(C4CC4)C3)cc2)C[C@@H](C)O1 ZINC000429198240 1074061235 /nfs/dbraw/zinc/06/12/35/1074061235.db2.gz RBGQUOMXFPKXBU-GPMSIDNRSA-N 1 0 400.523 1.858 20 0 HDADRO COCc1nc2n(n1)C[C@H](NC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000466600872 1074062484 /nfs/dbraw/zinc/06/24/84/1074062484.db2.gz YIKVXOXXEMRXCR-SJLPKXTDSA-N 1 0 400.527 1.949 20 0 HDADRO COc1cc2c(cc1OC)CN(CCNC(=O)N[C@H]1C[N@@H+](C3CC3)C[C@@H]1C)CC2 ZINC000466600204 1074064956 /nfs/dbraw/zinc/06/49/56/1074064956.db2.gz WTTYVKXYWHCVLU-KXBFYZLASA-N 1 0 402.539 1.844 20 0 HDADRO O=C(CNC(=O)c1ccncc1)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000674016435 1074068659 /nfs/dbraw/zinc/06/86/59/1074068659.db2.gz DNEUEOZNPICMRT-UHFFFAOYSA-N 1 0 410.518 1.999 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1=O ZINC000466603794 1074068841 /nfs/dbraw/zinc/06/88/41/1074068841.db2.gz GECSCSXEAFNPQO-TUKIKUTGSA-N 1 0 406.508 1.422 20 0 HDADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H]3CC(=O)N(C(C)(C)C)C3)cc2)CC1 ZINC000429202547 1074076672 /nfs/dbraw/zinc/07/66/72/1074076672.db2.gz ZVYQUDHCQXJKSG-IBGZPJMESA-N 1 0 401.555 1.633 20 0 HDADRO Cc1ccc(C(=O)N[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)cc1 ZINC000229086221 1074078409 /nfs/dbraw/zinc/07/84/09/1074078409.db2.gz DNWGDBTVQKHXPI-MOPGFXCFSA-N 1 0 402.539 1.453 20 0 HDADRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)NCC(C)(C)S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000674031529 1074090674 /nfs/dbraw/zinc/09/06/74/1074090674.db2.gz AJXUOJLQPCDEHA-HOTGVXAUSA-N 1 0 411.568 1.918 20 0 HDADRO C[C@@H](NC(=O)NCC(C)(C)S(C)(=O)=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000674030665 1074098650 /nfs/dbraw/zinc/09/86/50/1074098650.db2.gz VJTHGQQIYGVXOE-CQSZACIVSA-N 1 0 414.547 1.761 20 0 HDADRO O=C(CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1)N1CCN(c2ncccn2)CC1 ZINC000543560748 1074101538 /nfs/dbraw/zinc/10/15/38/1074101538.db2.gz QNEFWHVHIJSYCX-OAQYLSRUSA-N 1 0 409.534 1.849 20 0 HDADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000543558770 1074102868 /nfs/dbraw/zinc/10/28/68/1074102868.db2.gz 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/nfs/dbraw/zinc/68/90/28/1074689028.db2.gz CUAZREKDZLSQBW-OAHLLOKOSA-N 1 0 414.491 2.199 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000477009900 1074692046 /nfs/dbraw/zinc/69/20/46/1074692046.db2.gz UIFHGDQWMZFSQD-GTPINHCMSA-N 1 0 412.600 1.083 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000477024230 1074697994 /nfs/dbraw/zinc/69/79/94/1074697994.db2.gz AMYOZESBTGTWRR-SPEDKVCISA-N 1 0 405.539 1.402 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CCN2C1=O ZINC000675085330 1074701565 /nfs/dbraw/zinc/70/15/65/1074701565.db2.gz SEFWPGGHGQOAEX-LJQANCHMSA-N 1 0 413.522 1.850 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)nn1-c1cccc(Cl)c1 ZINC000470931064 1074705428 /nfs/dbraw/zinc/70/54/28/1074705428.db2.gz MPFXJBOPGAFQHR-HNNXBMFYSA-N 1 0 419.913 1.688 20 0 HDADRO COC(=O)CCCC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001128942916 1074705954 /nfs/dbraw/zinc/70/59/54/1074705954.db2.gz 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20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1 ZINC000675106251 1074721611 /nfs/dbraw/zinc/72/16/11/1074721611.db2.gz PNIFNAYLEMCVJX-ZTRFORPCSA-N 1 0 410.522 1.876 20 0 HDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)Nc1cc(-c2cccc(F)c2)on1 ZINC000565815191 1074721945 /nfs/dbraw/zinc/72/19/45/1074721945.db2.gz PFYNTBPPTOQWSK-UHFFFAOYSA-N 1 0 405.474 1.992 20 0 HDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)Nc1cc(-c2cccc(Cl)c2)on1 ZINC000557600248 1074722215 /nfs/dbraw/zinc/72/22/15/1074722215.db2.gz FERMMANBRFUBJX-UHFFFAOYSA-N 1 0 421.929 2.507 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+](C)C)CCN2C1=O ZINC000675107553 1074722343 /nfs/dbraw/zinc/72/23/43/1074722343.db2.gz SXXFLJPICUZXLO-JKSUJKDBSA-N 1 0 407.902 1.621 20 0 HDADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1cc2n(n1)CCCC2 ZINC000497760549 1074722526 /nfs/dbraw/zinc/72/25/26/1074722526.db2.gz ZUPSNTDQMXKPDY-UHFFFAOYSA-N 1 0 424.549 1.877 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)nn1-c1ccccc1 ZINC000540089404 1074724250 /nfs/dbraw/zinc/72/42/50/1074724250.db2.gz DNUPDLBBLBNFKJ-YLJYHZDGSA-N 1 0 424.549 1.604 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)C[N@@H+]1Cc1ccccc1 ZINC000675126845 1074731131 /nfs/dbraw/zinc/73/11/31/1074731131.db2.gz PIVCMNYJMVODKQ-PBHICJAKSA-N 1 0 408.458 1.735 20 0 HDADRO NC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)CC1 ZINC000509312115 1074734686 /nfs/dbraw/zinc/73/46/86/1074734686.db2.gz YHILKYKAIIWCMK-UHFFFAOYSA-N 1 0 409.433 1.944 20 0 HDADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1=O ZINC000675129817 1074735597 /nfs/dbraw/zinc/73/55/97/1074735597.db2.gz UKNLWRRMGYZHDU-IRXDYDNUSA-N 1 0 414.506 1.004 20 0 HDADRO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000675129717 1074735897 /nfs/dbraw/zinc/73/58/97/1074735897.db2.gz HEMYZAMLJIOGLV-KRWDZBQOSA-N 1 0 416.522 1.155 20 0 HDADRO COc1ccccc1OCCN(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501611959 1074737827 /nfs/dbraw/zinc/73/78/27/1074737827.db2.gz LIROGLIVYPLQRK-QGZVFWFLSA-N 1 0 419.522 1.150 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000477033897 1074738819 /nfs/dbraw/zinc/73/88/19/1074738819.db2.gz NWXDDGQZLWTVDN-MRXNPFEDSA-N 1 0 422.957 1.400 20 0 HDADRO O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000675141029 1074739419 /nfs/dbraw/zinc/73/94/19/1074739419.db2.gz GJKRZQUVXWPSEZ-UHFFFAOYSA-N 1 0 413.349 1.963 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000477034891 1074740570 /nfs/dbraw/zinc/74/05/70/1074740570.db2.gz PSCQRCOIUCNODZ-QGZVFWFLSA-N 1 0 402.539 1.502 20 0 HDADRO C[C@H]1C[C@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000675147314 1074744337 /nfs/dbraw/zinc/74/43/37/1074744337.db2.gz RARIGLAKRFWASQ-RDJZCZTQSA-N 1 0 403.504 1.492 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)nn1C1CCCCC1 ZINC000571454383 1074746568 /nfs/dbraw/zinc/74/65/68/1074746568.db2.gz HBQAABBZTBBHRO-UHFFFAOYSA-N 1 0 404.559 1.777 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCCN2CCC([NH+](C)C)CC2)nn1C1CCCCC1 ZINC000520901617 1074746769 /nfs/dbraw/zinc/74/67/69/1074746769.db2.gz LAYLWPYBRYHDJC-UHFFFAOYSA-N 1 0 404.559 1.777 20 0 HDADRO CC(C)(C)Oc1cccc(CCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)n1 ZINC000675155388 1074747260 /nfs/dbraw/zinc/74/72/60/1074747260.db2.gz OSIDCCJNGJAPHR-LJQANCHMSA-N 1 0 404.555 1.714 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000675175510 1074749247 /nfs/dbraw/zinc/74/92/47/1074749247.db2.gz GBFIVEPHRQJCPT-GOSISDBHSA-N 1 0 424.567 1.381 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000675185152 1074751244 /nfs/dbraw/zinc/75/12/44/1074751244.db2.gz ZGFKPIVMRQWCDX-GOSISDBHSA-N 1 0 402.543 1.294 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000477037959 1074753018 /nfs/dbraw/zinc/75/30/18/1074753018.db2.gz YEFVUOSXAPHEOR-OAHLLOKOSA-N 1 0 414.510 1.684 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000675192975 1074753373 /nfs/dbraw/zinc/75/33/73/1074753373.db2.gz AOECINGTESKGGF-INIZCTEOSA-N 1 0 418.567 1.458 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1 ZINC000675180792 1074753845 /nfs/dbraw/zinc/75/38/45/1074753845.db2.gz SQEWNFLMAJJTKE-KRWDZBQOSA-N 1 0 412.556 1.285 20 0 HDADRO CCOc1ccc(CN2CCN(C(=O)C(=O)N[C@H](C)C[NH+](CC)CC)CC2)cc1 ZINC000477038010 1074754550 /nfs/dbraw/zinc/75/45/50/1074754550.db2.gz YTMFYLAUDRCFQV-GOSISDBHSA-N 1 0 404.555 1.576 20 0 HDADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH2+]C(C)C)C3)C2=O)cc1 ZINC000675183108 1074754636 /nfs/dbraw/zinc/75/46/36/1074754636.db2.gz PFOZLGHQZQAXQV-OALUTQOASA-N 1 0 400.523 1.201 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000675194344 1074754955 /nfs/dbraw/zinc/75/49/55/1074754955.db2.gz PXTUPEPHSAIFRU-HNNXBMFYSA-N 1 0 415.585 1.342 20 0 HDADRO O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675208424 1074757742 /nfs/dbraw/zinc/75/77/42/1074757742.db2.gz WBLCGJVLOKUZLD-UHFFFAOYSA-N 1 0 405.462 1.203 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000675194838 1074759478 /nfs/dbraw/zinc/75/94/78/1074759478.db2.gz WEUMWFMNHYCPCX-FQEVSTJZSA-N 1 0 401.555 1.504 20 0 HDADRO CCc1c(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cnn1-c1ccccc1 ZINC000466669051 1074765204 /nfs/dbraw/zinc/76/52/04/1074765204.db2.gz OBHSUGQSWNBOFK-UHFFFAOYSA-N 1 0 424.509 1.953 20 0 HDADRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000490503685 1074767178 /nfs/dbraw/zinc/76/71/78/1074767178.db2.gz UFXWTFADQHCKPN-HNNXBMFYSA-N 1 0 419.913 1.673 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000477062976 1074773604 /nfs/dbraw/zinc/77/36/04/1074773604.db2.gz ZAGGCICJCHHDRT-IEBWSBKVSA-N 1 0 406.596 1.567 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000477063625 1074774828 /nfs/dbraw/zinc/77/48/28/1074774828.db2.gz IWWPHOKGZLIDIT-GOSISDBHSA-N 1 0 416.566 1.430 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000477067957 1074778924 /nfs/dbraw/zinc/77/89/24/1074778924.db2.gz PCBINRFMDIQAQA-INIZCTEOSA-N 1 0 411.506 1.797 20 0 HDADRO O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000675290388 1074782521 /nfs/dbraw/zinc/78/25/21/1074782521.db2.gz MEYYLIKXVNMAQA-RTBURBONSA-N 1 0 416.497 1.130 20 0 HDADRO Cc1cc(NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)nn1[C@@H](C)C1CC1 ZINC000583394116 1074790893 /nfs/dbraw/zinc/79/08/93/1074790893.db2.gz LSLYDEBFRMEGAT-KRWDZBQOSA-N 1 0 424.549 2.487 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000477103250 1074801695 /nfs/dbraw/zinc/80/16/95/1074801695.db2.gz VDSNQLKFRCENGB-HZPDHXFCSA-N 1 0 410.509 1.892 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000477103745 1074802159 /nfs/dbraw/zinc/80/21/59/1074802159.db2.gz WYPUUSLGQDJJEZ-ZWKOTPCHSA-N 1 0 402.539 1.502 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000477103700 1074802165 /nfs/dbraw/zinc/80/21/65/1074802165.db2.gz WYPUUSLGQDJJEZ-QZTJIDSGSA-N 1 0 402.539 1.502 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000477106958 1074803711 /nfs/dbraw/zinc/80/37/11/1074803711.db2.gz LYTCDJZRTDYBKC-QGZVFWFLSA-N 1 0 402.539 1.562 20 0 HDADRO CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427250843 1074805127 /nfs/dbraw/zinc/80/51/27/1074805127.db2.gz VASZZSRRUHBCJF-IAGOWNOFSA-N 1 0 405.543 2.140 20 0 HDADRO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766109858 1074816929 /nfs/dbraw/zinc/81/69/29/1074816929.db2.gz PXYZATRRZZUXID-LRDDRELGSA-N 1 0 418.562 1.858 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)c1ccccc1 ZINC000670503222 1074817336 /nfs/dbraw/zinc/81/73/36/1074817336.db2.gz VONMHMPTKSCDJK-KRWDZBQOSA-N 1 0 403.527 1.058 20 0 HDADRO Cc1cc(NC(=O)C2CC[NH+](Cc3c(C)nn(C)c3N3CCOCC3)CC2)no1 ZINC000506257625 1074819646 /nfs/dbraw/zinc/81/96/46/1074819646.db2.gz BBMBXTXTRNLVAG-UHFFFAOYSA-N 1 0 402.499 1.712 20 0 HDADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000675367963 1074822186 /nfs/dbraw/zinc/82/21/86/1074822186.db2.gz GOIRDTCNULOQAA-CYBMUJFWSA-N 1 0 401.294 1.235 20 0 HDADRO Cc1cc(NC(=O)CC[N@@H+](C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)no1 ZINC000426785059 1075094416 /nfs/dbraw/zinc/09/44/16/1075094416.db2.gz OLAURDLIYQHUMN-HNNXBMFYSA-N 1 0 406.508 2.545 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000477109230 1075095808 /nfs/dbraw/zinc/09/58/08/1075095808.db2.gz SRXMXGQNDLVKER-QGZVFWFLSA-N 1 0 423.989 1.425 20 0 HDADRO COCC[NH+]1CCC(NC(=O)C(=O)N2CCC3(CC2)OCCc2ccsc23)CC1 ZINC000477652048 1075099050 /nfs/dbraw/zinc/09/90/50/1075099050.db2.gz KPRSKBYQSANUFG-UHFFFAOYSA-N 1 0 421.563 1.366 20 0 HDADRO CC(C)S(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000467682753 1075102963 /nfs/dbraw/zinc/10/29/63/1075102963.db2.gz RBIRXCWOERSLHR-MSOLQXFVSA-N 1 0 407.536 1.643 20 0 HDADRO Cc1cc(NC(=O)CN2CCN(C(=O)N[C@@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)no1 ZINC000517745356 1075111132 /nfs/dbraw/zinc/11/11/32/1075111132.db2.gz OWOSTLHEPQAUFT-BBWFWOEESA-N 1 0 420.558 1.615 20 0 HDADRO O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000675379814 1075119115 /nfs/dbraw/zinc/11/91/15/1075119115.db2.gz PBOTVHODYOIKDV-XNJGSVPQSA-N 1 0 422.888 1.444 20 0 HDADRO O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675379807 1075119124 /nfs/dbraw/zinc/11/91/24/1075119124.db2.gz PBOTVHODYOIKDV-IGCXYCKISA-N 1 0 422.888 1.444 20 0 HDADRO COCC[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000670514220 1075119982 /nfs/dbraw/zinc/11/99/82/1075119982.db2.gz PMJDLOLBLUODPA-UHFFFAOYSA-N 1 0 401.429 1.591 20 0 HDADRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)CC1 ZINC000564178320 1075122984 /nfs/dbraw/zinc/12/29/84/1075122984.db2.gz COECGLZJJPZICO-UHFFFAOYSA-N 1 0 405.449 2.388 20 0 HDADRO COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000543522247 1075124388 /nfs/dbraw/zinc/12/43/88/1075124388.db2.gz UZEXDQWEKZMLSV-UHFFFAOYSA-N 1 0 406.531 1.727 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)C1 ZINC000675394631 1075124962 /nfs/dbraw/zinc/12/49/62/1075124962.db2.gz KHOWTXJCFRCOKD-HKUYNNGSSA-N 1 0 413.522 1.904 20 0 HDADRO O=C(Nc1ccccc1O[C@H]1CCOC1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000675402009 1075126701 /nfs/dbraw/zinc/12/67/01/1075126701.db2.gz YAHSCNAHIAYUCX-MSOLQXFVSA-N 1 0 417.506 1.506 20 0 HDADRO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000675403616 1075128968 /nfs/dbraw/zinc/12/89/68/1075128968.db2.gz NCMGPWXFQFCEMU-ZWKOTPCHSA-N 1 0 412.538 1.431 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C)C[C@H]3CCOC3)cc2)CC1 ZINC000675409906 1075135258 /nfs/dbraw/zinc/13/52/58/1075135258.db2.gz QHRCJBRYJWHNSM-PKOBYXMFSA-N 1 0 402.539 1.694 20 0 HDADRO Cc1cc(NC(=O)CSCC(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)no1 ZINC000448283562 1075135963 /nfs/dbraw/zinc/13/59/63/1075135963.db2.gz MCWIPGMYOTYAMG-OAHLLOKOSA-N 1 0 418.523 1.829 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC2(CC1)OCc1ccccc12 ZINC000675423057 1075138835 /nfs/dbraw/zinc/13/88/35/1075138835.db2.gz HCKUPBYPCXOHFD-FQEVSTJZSA-N 1 0 414.550 1.624 20 0 HDADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CC[NH+](C)CC1 ZINC000675438412 1075146486 /nfs/dbraw/zinc/14/64/86/1075146486.db2.gz DKRZDJOWMLSTGT-PXAZEXFGSA-N 1 0 424.904 1.547 20 0 HDADRO COCC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)CC1 ZINC000143808995 1075147012 /nfs/dbraw/zinc/14/70/12/1075147012.db2.gz QICTXQPUTUUTCQ-UHFFFAOYSA-N 1 0 406.483 1.212 20 0 HDADRO Cc1ccc(NC(=O)C[N@@H+](C)C2(CO)CCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000429252209 1075149616 /nfs/dbraw/zinc/14/96/16/1075149616.db2.gz DYTRQPOUYGRHCT-UHFFFAOYSA-N 1 0 409.552 1.955 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000675455931 1075154930 /nfs/dbraw/zinc/15/49/30/1075154930.db2.gz GHYRWJXTGHTKDI-SFHVURJKSA-N 1 0 403.589 1.445 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000675458055 1075156644 /nfs/dbraw/zinc/15/66/44/1075156644.db2.gz GGPKCVGBOBIWMS-DYVFJYSZSA-N 1 0 424.904 1.690 20 0 HDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000675457947 1075156891 /nfs/dbraw/zinc/15/68/91/1075156891.db2.gz BHHBZTYWKKIOKN-DYVFJYSZSA-N 1 0 424.904 1.501 20 0 HDADRO O=C(Nc1ccn(-c2ccccc2)n1)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000463992216 1075157292 /nfs/dbraw/zinc/15/72/92/1075157292.db2.gz FMYDBZVSORHISS-IBGZPJMESA-N 1 0 405.458 2.016 20 0 HDADRO O=S(=O)(CC[C@H]1CCCO1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000675458917 1075157295 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1.704 20 0 HDADRO COc1cc(C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)ccc1OCC(=O)N(C)C ZINC000675775497 1075269453 /nfs/dbraw/zinc/26/94/53/1075269453.db2.gz UATAJTWXUIHLBJ-HNNXBMFYSA-N 1 0 410.478 1.989 20 0 HDADRO C[N@@H+]1CCCN(CCCNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000675795650 1075270167 /nfs/dbraw/zinc/27/01/67/1075270167.db2.gz UPJIYQOFGAVIBQ-UHFFFAOYSA-N 1 0 415.582 1.259 20 0 HDADRO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000675782470 1075270892 /nfs/dbraw/zinc/27/08/92/1075270892.db2.gz UKAHJMJTYKJTNV-QGZVFWFLSA-N 1 0 408.568 1.286 20 0 HDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000675816984 1075276405 /nfs/dbraw/zinc/27/64/05/1075276405.db2.gz JCLLZCGGEDNRQH-QGZVFWFLSA-N 1 0 421.567 1.227 20 0 HDADRO Cc1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c(OC(C)(C)C)c1 ZINC000446817971 1075279382 /nfs/dbraw/zinc/27/93/82/1075279382.db2.gz ODGBAXZZIBJBKK-UHFFFAOYSA-N 1 0 401.511 2.185 20 0 HDADRO Cc1ccc(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)c(OC[C@@H]2CCOC2)c1 ZINC000447067132 1075280664 /nfs/dbraw/zinc/28/06/64/1075280664.db2.gz JDPOJFFDIIPLJI-QGZVFWFLSA-N 1 0 401.511 2.490 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccc(CN3CCCC3=O)c2)CC1 ZINC000675837901 1075280754 /nfs/dbraw/zinc/28/07/54/1075280754.db2.gz XTGQHZLTYWJHPT-LJQANCHMSA-N 1 0 413.522 1.579 20 0 HDADRO COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC001129089880 1075285170 /nfs/dbraw/zinc/28/51/70/1075285170.db2.gz UBCJJMDUZCNRSO-MLOZMYIXSA-N 1 0 403.523 1.883 20 0 HDADRO Cn1c(=O)c2ccc(C(=O)NCC3([N@H+](C)Cc4ccccc4)CCC3)nc2n(C)c1=O ZINC001129097680 1075286465 /nfs/dbraw/zinc/28/64/65/1075286465.db2.gz MLEXKXXNLGSQFA-UHFFFAOYSA-N 1 0 421.501 1.417 20 0 HDADRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c(OC)c1 ZINC000675887183 1075289727 /nfs/dbraw/zinc/28/97/27/1075289727.db2.gz YVJSQOIBULDLBM-QZTJIDSGSA-N 1 0 420.554 1.417 20 0 HDADRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c(OC)c1 ZINC000675887185 1075289807 /nfs/dbraw/zinc/28/98/07/1075289807.db2.gz YVJSQOIBULDLBM-ZWKOTPCHSA-N 1 0 420.554 1.417 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)COCc2nc3ccccc3s2)CC1 ZINC000675916347 1075290721 /nfs/dbraw/zinc/29/07/21/1075290721.db2.gz GYDIZQNKGGULNM-MRXNPFEDSA-N 1 0 402.520 1.578 20 0 HDADRO COCC(=O)N1CCc2c1cccc2NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000543652407 1075299764 /nfs/dbraw/zinc/29/97/64/1075299764.db2.gz LDPBDJYLOOEJFA-UHFFFAOYSA-N 1 0 416.522 1.989 20 0 HDADRO O=c1[nH]c(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc2c1cnn2-c1ccccc1 ZINC000462858630 1075317726 /nfs/dbraw/zinc/31/77/26/1075317726.db2.gz WXWUIFDYTOUQHH-HSZRJFAPSA-N 1 0 416.485 2.570 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)c1ccc(Cl)cc1 ZINC000676022569 1075327057 /nfs/dbraw/zinc/32/70/57/1075327057.db2.gz OHXJDHTXTSMPMO-DLBZAZTESA-N 1 0 421.929 1.121 20 0 HDADRO CN(C)c1ncc(CN(C)C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cn1 ZINC000676038569 1075336958 /nfs/dbraw/zinc/33/69/58/1075336958.db2.gz WJNFHNPFSVCAAV-QGZVFWFLSA-N 1 0 418.929 1.574 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)c1ccc(Cl)cc1 ZINC000676038515 1075337151 /nfs/dbraw/zinc/33/71/51/1075337151.db2.gz SVDBHDUQIVUIGV-KZNAEPCWSA-N 1 0 409.914 1.465 20 0 HDADRO O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000676050440 1075341337 /nfs/dbraw/zinc/34/13/37/1075341337.db2.gz QNIHSKNJLFOXTR-XUVXKRRUSA-N 1 0 406.571 1.845 20 0 HDADRO COC(=O)[C@@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@@H](C(=O)OC)C1 ZINC000509380163 1075341670 /nfs/dbraw/zinc/34/16/70/1075341670.db2.gz NEDVKJFJIIIWHM-RTBURBONSA-N 1 0 417.506 1.001 20 0 HDADRO CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000429392681 1075343582 /nfs/dbraw/zinc/34/35/82/1075343582.db2.gz ILQXJSUXJVLXNN-ZWKOTPCHSA-N 1 0 408.930 1.837 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cn1 ZINC000676092579 1075352109 /nfs/dbraw/zinc/35/21/09/1075352109.db2.gz IORBXNLBYAYEBY-ROUUACIJSA-N 1 0 403.458 1.559 20 0 HDADRO C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676092260 1075352382 /nfs/dbraw/zinc/35/23/82/1075352382.db2.gz DRGIVNHZDAKVKB-CYBMUJFWSA-N 1 0 422.327 1.893 20 0 HDADRO COc1ccc(CC2CCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)cc1 ZINC000676093513 1075353989 /nfs/dbraw/zinc/35/39/89/1075353989.db2.gz LZMHYKLIVRTLGU-UHFFFAOYSA-N 1 0 413.522 1.873 20 0 HDADRO COc1cccc(N2CC[C@H](CNC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)C2)c1 ZINC000676093189 1075355170 /nfs/dbraw/zinc/35/51/70/1075355170.db2.gz GREGKFFRAPCLAT-MRXNPFEDSA-N 1 0 414.510 1.035 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCO[C@H](c3ccccc3Cl)C2)cn1 ZINC000676094885 1075355224 /nfs/dbraw/zinc/35/52/24/1075355224.db2.gz WGUWNOBTXIZQCO-KRWDZBQOSA-N 1 0 405.886 1.637 20 0 HDADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C1 ZINC000731465421 1075357245 /nfs/dbraw/zinc/35/72/45/1075357245.db2.gz JDRDDJFJWNGMIL-FQEVSTJZSA-N 1 0 418.497 1.578 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000676095551 1075357428 /nfs/dbraw/zinc/35/74/28/1075357428.db2.gz QZFGSAXHLUIOCS-MRXNPFEDSA-N 1 0 424.848 1.781 20 0 HDADRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000676096926 1075358304 /nfs/dbraw/zinc/35/83/04/1075358304.db2.gz HLFNAZKAADILRX-QUCCMNQESA-N 1 0 413.522 1.976 20 0 HDADRO C[C@@H](NC(=O)[C@@H](C)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000429396515 1075359150 /nfs/dbraw/zinc/35/91/50/1075359150.db2.gz BQDOHNOTIVRCSL-GVDBMIGSSA-N 1 0 422.595 1.706 20 0 HDADRO Cc1c(C(=O)N2CCC[C@H](C3OCCO3)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731474048 1075359580 /nfs/dbraw/zinc/35/95/80/1075359580.db2.gz JOVXMSPWNKPLBR-KRWDZBQOSA-N 1 0 411.506 1.789 20 0 HDADRO Cc1c(C(=O)N2CCC[C@@H](C3OCCO3)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731474049 1075359672 /nfs/dbraw/zinc/35/96/72/1075359672.db2.gz JOVXMSPWNKPLBR-QGZVFWFLSA-N 1 0 411.506 1.789 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cn1 ZINC000676096378 1075360034 /nfs/dbraw/zinc/36/00/34/1075360034.db2.gz KBTAADSNZJJPBY-UHFFFAOYSA-N 1 0 403.458 1.592 20 0 HDADRO Cc1c(C(=O)NCC2N=NC(=S)N2C2CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731475223 1075360583 /nfs/dbraw/zinc/36/05/83/1075360583.db2.gz OFIJNBOLRHPLKK-UHFFFAOYSA-N 1 0 424.534 1.709 20 0 HDADRO Cn1ccnc1C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000676097896 1075361246 /nfs/dbraw/zinc/36/12/46/1075361246.db2.gz TXMBMJJJSBYODO-GOSISDBHSA-N 1 0 409.494 1.217 20 0 HDADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000556181400 1075367348 /nfs/dbraw/zinc/36/73/48/1075367348.db2.gz PVPXHMAYOXZCRA-UHFFFAOYSA-N 1 0 413.400 2.439 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000731478333 1075370590 /nfs/dbraw/zinc/37/05/90/1075370590.db2.gz AVCCVCIICKFWNH-OAHLLOKOSA-N 1 0 414.572 1.355 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)CC1 ZINC000731480110 1075370988 /nfs/dbraw/zinc/37/09/88/1075370988.db2.gz ANUUPNBOYFTDOH-IBGZPJMESA-N 1 0 416.522 1.629 20 0 HDADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)N1CCc2sccc2C1 ZINC000676088478 1075371162 /nfs/dbraw/zinc/37/11/62/1075371162.db2.gz ABZZABKFLCADQZ-AWEZNQCLSA-N 1 0 410.503 1.830 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)CC1 ZINC000731480111 1075371198 /nfs/dbraw/zinc/37/11/98/1075371198.db2.gz ANUUPNBOYFTDOH-LJQANCHMSA-N 1 0 416.522 1.629 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCOc2cccc(C(F)(F)F)c2)cn1 ZINC000676089592 1075372472 /nfs/dbraw/zinc/37/24/72/1075372472.db2.gz LNXUCNWXECLARB-UHFFFAOYSA-N 1 0 413.400 1.597 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cn1 ZINC000676090879 1075373774 /nfs/dbraw/zinc/37/37/74/1075373774.db2.gz KYWNWQXPRZXTFS-UHFFFAOYSA-N 1 0 412.494 1.261 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000676090871 1075373798 /nfs/dbraw/zinc/37/37/98/1075373798.db2.gz KRKORHWWPZFRSQ-UHFFFAOYSA-N 1 0 404.430 1.190 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cccc(OCC(F)(F)F)c2)cn1 ZINC000676090098 1075373851 /nfs/dbraw/zinc/37/38/51/1075373851.db2.gz MAKSBSDMPAQCHH-UHFFFAOYSA-N 1 0 413.400 1.641 20 0 HDADRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804087320 1075378625 /nfs/dbraw/zinc/37/86/25/1075378625.db2.gz FXGIQWBCIJJPSO-YESZJQIVSA-N 1 0 410.559 1.739 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000804089456 1075383465 /nfs/dbraw/zinc/38/34/65/1075383465.db2.gz BDOHTNCLNLHUTC-BDXSIMOUSA-N 1 0 422.570 1.881 20 0 HDADRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)CC1 ZINC000731540281 1075383704 /nfs/dbraw/zinc/38/37/04/1075383704.db2.gz LKAGIAPBACVLON-UHFFFAOYSA-N 1 0 406.508 1.802 20 0 HDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000804090882 1075385318 /nfs/dbraw/zinc/38/53/18/1075385318.db2.gz VAOLUFGLDJLDMS-KZNAEPCWSA-N 1 0 422.570 1.883 20 0 HDADRO COc1ccc(C[C@H](C)CN(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000535645099 1075387550 /nfs/dbraw/zinc/38/75/50/1075387550.db2.gz UMFJVOGULDUFFZ-INIZCTEOSA-N 1 0 401.511 1.729 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804093453 1075393295 /nfs/dbraw/zinc/39/32/95/1075393295.db2.gz NTPOAZHGEQSYIZ-YESZJQIVSA-N 1 0 410.559 1.929 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804093440 1075393312 /nfs/dbraw/zinc/39/33/12/1075393312.db2.gz NTPOAZHGEQSYIZ-IXDOHACOSA-N 1 0 410.559 1.929 20 0 HDADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000543658712 1075397134 /nfs/dbraw/zinc/39/71/34/1075397134.db2.gz PBLHRSGMWLYSGP-AZUAARDMSA-N 1 0 417.531 1.330 20 0 HDADRO C[C@H]1CN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000429399319 1075407499 /nfs/dbraw/zinc/40/74/99/1075407499.db2.gz BPGSFKKTHVZHQE-KRWDZBQOSA-N 1 0 404.580 1.839 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)c2ccccc2O1 ZINC000676190524 1075420504 /nfs/dbraw/zinc/42/05/04/1075420504.db2.gz PNSFJIZGKNJYMA-AOMKIAJQSA-N 1 0 408.458 1.711 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000439420534 1075425965 /nfs/dbraw/zinc/42/59/65/1075425965.db2.gz JPZANUJTTMNIEE-INIZCTEOSA-N 1 0 416.501 2.280 20 0 HDADRO COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000556528133 1075427457 /nfs/dbraw/zinc/42/74/57/1075427457.db2.gz ZTCKGPSJHACCOO-SJKOYZFVSA-N 1 0 421.860 2.025 20 0 HDADRO COc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000574298754 1075428085 /nfs/dbraw/zinc/42/80/85/1075428085.db2.gz TUXCDHDSTZBKDY-HOTGVXAUSA-N 1 0 411.506 2.218 20 0 HDADRO COc1cc(Br)c(C[NH2+]C[C@@](C)(O)CN2CCOCC2)c(OC)c1 ZINC000676200801 1075434962 /nfs/dbraw/zinc/43/49/62/1075434962.db2.gz UVZUDPBYSMXAOM-QGZVFWFLSA-N 1 0 403.317 1.639 20 0 HDADRO CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H](CCCO)c3ccccc3)CC2)CC1 ZINC000509389424 1075436033 /nfs/dbraw/zinc/43/60/33/1075436033.db2.gz RGPPDQYTMDSUOG-NRFANRHFSA-N 1 0 416.566 1.102 20 0 HDADRO C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@H]1CN(C)CCO1 ZINC000676243082 1075444101 /nfs/dbraw/zinc/44/41/01/1075444101.db2.gz HYBBFSXGEIBWHN-NEYJZJCJSA-N 1 0 404.555 1.814 20 0 HDADRO COc1ccc([C@H](C[NH2+]CCC(=O)Nc2cc(C)on2)N2CCOCC2)cc1OC ZINC000571350809 1075456956 /nfs/dbraw/zinc/45/69/56/1075456956.db2.gz OTVHYCKSUMHJJI-KRWDZBQOSA-N 1 0 418.494 1.992 20 0 HDADRO CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccc(F)cc2OC2CCCC2)CC1 ZINC000676264010 1075462344 /nfs/dbraw/zinc/46/23/44/1075462344.db2.gz QQSALUQLRHDHMR-UHFFFAOYSA-N 1 0 406.502 1.839 20 0 HDADRO O=C(NCc1nc(-c2cccc(F)c2)no1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 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DMBSZIQIWCCHAU-PBHICJAKSA-N 1 0 407.536 1.825 20 0 HDADRO Cc1nc(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)sc1S(N)(=O)=O ZINC000558756817 1075494705 /nfs/dbraw/zinc/49/47/05/1075494705.db2.gz OODRCAHRFCTDQB-INIZCTEOSA-N 1 0 409.581 1.890 20 0 HDADRO CC1CC[NH+]([C@@H](CNC(=O)N2CCN(CC(=O)N(C)C)CC2)c2cccs2)CC1 ZINC000676290288 1075494780 /nfs/dbraw/zinc/49/47/80/1075494780.db2.gz WWCPERDBVXXMOJ-SFHVURJKSA-N 1 0 421.611 1.937 20 0 HDADRO CN(C)C(=O)c1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)[nH]1 ZINC000509401795 1075495920 /nfs/dbraw/zinc/49/59/20/1075495920.db2.gz PAYHHCFSYIKUSP-UHFFFAOYSA-N 1 0 402.879 1.577 20 0 HDADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000676299677 1075501023 /nfs/dbraw/zinc/50/10/23/1075501023.db2.gz OSIDISNTZDVYTM-NGRWLJPCSA-N 1 0 415.582 1.558 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000543669892 1075510448 /nfs/dbraw/zinc/51/04/48/1075510448.db2.gz LMFKADVDVGZZRN-ZCNNSNEGSA-N 1 0 418.513 1.994 20 0 HDADRO C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000676336489 1075511291 /nfs/dbraw/zinc/51/12/91/1075511291.db2.gz RGQUAZIVGZRSHA-STQMWFEESA-N 1 0 407.458 1.830 20 0 HDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000731754702 1075511883 /nfs/dbraw/zinc/51/18/83/1075511883.db2.gz AHUBOKSWIZLKOA-CABCVRRESA-N 1 0 412.487 1.350 20 0 HDADRO C[C@@H]1CCC[C@](CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC000731757050 1075512815 /nfs/dbraw/zinc/51/28/15/1075512815.db2.gz SMMXCTGIPKCRCO-APWZRJJASA-N 1 0 402.605 1.305 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)CNC(=O)c3ccc(F)c(F)c3)CC2)CC1 ZINC000543670910 1075513898 /nfs/dbraw/zinc/51/38/98/1075513898.db2.gz UBWLGKYWPFZJFD-UHFFFAOYSA-N 1 0 408.493 1.571 20 0 HDADRO O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676341651 1075515173 /nfs/dbraw/zinc/51/51/73/1075515173.db2.gz BWXIVRZTGJOBDD-CQSZACIVSA-N 1 0 417.478 1.003 20 0 HDADRO CS(=O)(=O)CCN1CCC(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000731761300 1075515316 /nfs/dbraw/zinc/51/53/16/1075515316.db2.gz DHBFDCZCFUFFIF-GOSISDBHSA-N 1 0 400.589 1.155 20 0 HDADRO CCCC[N@H+](C)CC1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000731761017 1075515654 /nfs/dbraw/zinc/51/56/54/1075515654.db2.gz NQOVRPUOHYCCJN-UHFFFAOYSA-N 1 0 416.632 1.649 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)N[C@H]3CCCC[C@H]3N3CCOCC3)CC2)CC1 ZINC000543670772 1075515748 /nfs/dbraw/zinc/51/57/48/1075515748.db2.gz RNWAHRYGPRSVRA-LEWJYISDSA-N 1 0 421.630 1.689 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000676344617 1075518417 /nfs/dbraw/zinc/51/84/17/1075518417.db2.gz PXEVCHQMPFUGSN-IBGZPJMESA-N 1 0 421.563 1.844 20 0 HDADRO CS(=O)(=O)Nc1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Cl ZINC000676344605 1075518718 /nfs/dbraw/zinc/51/87/18/1075518718.db2.gz FVUIMISYSIPYNA-CQSZACIVSA-N 1 0 401.916 1.695 20 0 HDADRO COc1ccc([C@@H]2[C@@H](C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CCC(=O)N2C)cc1 ZINC000676345880 1075519081 /nfs/dbraw/zinc/51/90/81/1075519081.db2.gz WESJRVXOHPCERK-KAGYGMCKSA-N 1 0 415.534 1.974 20 0 HDADRO O=C(CCNC(=O)N1CCc2ccccc2C1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676345847 1075519177 /nfs/dbraw/zinc/51/91/77/1075519177.db2.gz VDOPLGJENLDBLK-FQEVSTJZSA-N 1 0 400.523 1.514 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000804221890 1075519396 /nfs/dbraw/zinc/51/93/96/1075519396.db2.gz XMFLWGXPGBCDEU-INIZCTEOSA-N 1 0 412.575 1.938 20 0 HDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000676369492 1075527398 /nfs/dbraw/zinc/52/73/98/1075527398.db2.gz OGOSLQWEKIGSKW-UHFFFAOYSA-N 1 0 422.595 1.284 20 0 HDADRO CC(C)(O)[C@H]1CCCN1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543671942 1075527675 /nfs/dbraw/zinc/52/76/75/1075527675.db2.gz DWVAMOLFWIRALN-RTBURBONSA-N 1 0 402.539 1.829 20 0 HDADRO COc1cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)ccc1OCC(=O)N1CCCC1 ZINC000509408811 1075528849 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1075740999 /nfs/dbraw/zinc/74/09/99/1075740999.db2.gz HMDRUOYMDVQFBB-UHFFFAOYSA-N 1 0 418.552 1.617 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)n1 ZINC000538374404 1075741081 /nfs/dbraw/zinc/74/10/81/1075741081.db2.gz SRKSSQGEXOPZAH-UHFFFAOYSA-N 1 0 417.491 1.769 20 0 HDADRO CC(C)[NH2+]C1CCN(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000732451080 1075741431 /nfs/dbraw/zinc/74/14/31/1075741431.db2.gz TVCHFRQQZDJDBR-UHFFFAOYSA-N 1 0 411.547 1.238 20 0 HDADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000438799561 1075741703 /nfs/dbraw/zinc/74/17/03/1075741703.db2.gz BBVJEZCDGHDYHL-CYBMUJFWSA-N 1 0 421.523 1.714 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000429477660 1075744243 /nfs/dbraw/zinc/74/42/43/1075744243.db2.gz WRFAIVAHOFFUNB-SNVBAGLBSA-N 1 0 419.270 1.418 20 0 HDADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(OC[C@@H]2CCCO2)c1 ZINC000429477487 1075744665 /nfs/dbraw/zinc/74/46/65/1075744665.db2.gz 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CN(C(=O)c1sccc1S(=O)(=O)C(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732559257 1075785711 /nfs/dbraw/zinc/78/57/11/1075785711.db2.gz JNPBDRGRRUCADW-ZDUSSCGKSA-N 1 0 421.535 1.985 20 0 HDADRO CC(=O)[C@@H]1CC(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)=NN1c1ccccc1 ZINC000732563641 1075789484 /nfs/dbraw/zinc/78/94/84/1075789484.db2.gz LYPHQMCVZQHUFI-IRLDBZIGSA-N 1 0 411.550 1.837 20 0 HDADRO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000804235613 1075790066 /nfs/dbraw/zinc/79/00/66/1075790066.db2.gz JMLFUXAYLYPTHZ-GTPINHCMSA-N 1 0 410.559 1.691 20 0 HDADRO CC1CC[NH+](CCCNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000036686477 1075790752 /nfs/dbraw/zinc/79/07/52/1075790752.db2.gz RZIVPKXNCLVUOC-IBGZPJMESA-N 1 0 423.579 1.996 20 0 HDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)NCc2ccc(N3CCOC3=O)cc2)CC1 ZINC000804236842 1075792615 /nfs/dbraw/zinc/79/26/15/1075792615.db2.gz BUFAYJBDAUVJHP-UHFFFAOYSA-N 1 0 402.495 1.496 20 0 HDADRO 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C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)Nc3cc4n(n3)CCCC4)CC2)C[C@H](C)O1 ZINC000498961125 1075808675 /nfs/dbraw/zinc/80/86/75/1075808675.db2.gz GROLSYDABXARCI-IRXDYDNUSA-N 1 0 417.554 1.896 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000547321307 1075810052 /nfs/dbraw/zinc/81/00/52/1075810052.db2.gz SAPUVNRHDSEIAV-FXAWDEMLSA-N 1 0 418.501 1.902 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732656267 1075817627 /nfs/dbraw/zinc/81/76/27/1075817627.db2.gz ZHSGNGXQSKZTLL-IBGZPJMESA-N 1 0 415.444 1.921 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732658862 1075819145 /nfs/dbraw/zinc/81/91/45/1075819145.db2.gz LJSYEKCRKWUJTO-GOSISDBHSA-N 1 0 408.449 1.517 20 0 HDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000732658865 1075819153 /nfs/dbraw/zinc/81/91/53/1075819153.db2.gz CYFGFPMCVRMKIY-MSOLQXFVSA-N 1 0 406.433 1.399 20 0 HDADRO 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RPLRZIHRURKANK-WBVHZDCISA-N 1 0 400.479 1.673 20 0 HDADRO CN(C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732886562 1075892066 /nfs/dbraw/zinc/89/20/66/1075892066.db2.gz GUOZNIZCCLVUEW-MRXNPFEDSA-N 1 0 413.444 1.851 20 0 HDADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000732895845 1075898547 /nfs/dbraw/zinc/89/85/47/1075898547.db2.gz HHHHZQWKXOFSPK-SFHVURJKSA-N 1 0 416.522 1.569 20 0 HDADRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000611321435 1075900084 /nfs/dbraw/zinc/90/00/84/1075900084.db2.gz PBQXPNUMWUNDRU-SJORKVTESA-N 1 0 403.479 1.775 20 0 HDADRO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c(OC)c1 ZINC000732871382 1075901863 /nfs/dbraw/zinc/90/18/63/1075901863.db2.gz HANMUOKXDBMLAA-MSOLQXFVSA-N 1 0 420.506 1.698 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC ZINC000611311989 1075902371 /nfs/dbraw/zinc/90/23/71/1075902371.db2.gz WKVZPCUJMXGCSG-ZDUSSCGKSA-N 1 0 400.497 1.643 20 0 HDADRO c1nn(-c2ccccc2)nc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000732914678 1075910822 /nfs/dbraw/zinc/91/08/22/1075910822.db2.gz RFADAAPUHSHXMR-SFHVURJKSA-N 1 0 420.521 1.653 20 0 HDADRO COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Br ZINC000611380243 1075921455 /nfs/dbraw/zinc/92/14/55/1075921455.db2.gz OWNDTTCAAPKTHO-STQMWFEESA-N 1 0 424.295 1.917 20 0 HDADRO COC(=O)c1cc(NC(=O)C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cc(C(=O)OC)c1 ZINC000611395174 1075924601 /nfs/dbraw/zinc/92/46/01/1075924601.db2.gz DWGLQTIGKIMBAI-SFHVURJKSA-N 1 0 419.478 1.435 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)C1 ZINC000732955790 1075931103 /nfs/dbraw/zinc/93/11/03/1075931103.db2.gz CNMSVRRPJUXFMB-CTBJKRMSSA-N 1 0 424.501 1.754 20 0 HDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000732957241 1075931771 /nfs/dbraw/zinc/93/17/71/1075931771.db2.gz QLOQVXAMPLARAM-QWHCGFSZSA-N 1 0 406.280 1.884 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)CC1 ZINC000732958965 1075932178 /nfs/dbraw/zinc/93/21/78/1075932178.db2.gz RYUWBJPZGQOQGQ-UHFFFAOYSA-N 1 0 407.946 1.961 20 0 HDADRO COC(=O)C1(c2ccc(S(=O)(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cc2)CC1 ZINC000611445754 1075935976 /nfs/dbraw/zinc/93/59/76/1075935976.db2.gz QEHOOXQDPNBWDE-GOSISDBHSA-N 1 0 421.563 1.292 20 0 HDADRO CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000732981510 1075936131 /nfs/dbraw/zinc/93/61/31/1075936131.db2.gz AEIUDLHODGDSGD-IBGZPJMESA-N 1 0 402.539 1.930 20 0 HDADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CC(=O)NCc1ccco1 ZINC000732982163 1075936819 /nfs/dbraw/zinc/93/68/19/1075936819.db2.gz MYZMMJPYJBLBPS-GOSISDBHSA-N 1 0 412.534 1.997 20 0 HDADRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000732984380 1075938060 /nfs/dbraw/zinc/93/80/60/1075938060.db2.gz PVKUMOUYQNFVJU-UHFFFAOYSA-N 1 0 423.457 1.339 20 0 HDADRO O=C(CC[N@@H+](CCO)CCc1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O 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COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000509805404 1075988620 /nfs/dbraw/zinc/98/86/20/1075988620.db2.gz FKGCDBZUSHQDIC-XJKSGUPXSA-N 1 0 424.523 1.090 20 0 HDADRO CC(C)[C@H](CNC(=O)C1CCN(C(=O)c2cccnc2)CC1)[NH+]1CCN(C)CC1 ZINC000733155980 1075988766 /nfs/dbraw/zinc/98/87/66/1075988766.db2.gz IJCBPSLZJWGLCN-FQEVSTJZSA-N 1 0 401.555 1.322 20 0 HDADRO CC(C)CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000733158859 1075991120 /nfs/dbraw/zinc/99/11/20/1075991120.db2.gz SEOMWGFKWIXCMC-LJQANCHMSA-N 1 0 423.579 1.994 20 0 HDADRO CC[NH+]1CCN([C@H](C)CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000733158363 1075991391 /nfs/dbraw/zinc/99/13/91/1075991391.db2.gz IIDXZKNKASDOLU-CJNGLKHVSA-N 1 0 408.490 1.734 20 0 HDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000733158362 1075991487 /nfs/dbraw/zinc/99/14/87/1075991487.db2.gz IIDXZKNKASDOLU-BBRMVZONSA-N 1 0 408.490 1.734 20 0 HDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)CN2C(=S)N=NC2c2cccc(C)c2)CC1 ZINC000733158115 1075992191 /nfs/dbraw/zinc/99/21/91/1075992191.db2.gz DDQKHHKDYRBCTA-INIZCTEOSA-N 1 0 402.568 1.684 20 0 HDADRO CC[NH+]1CCN([C@H](C)CNC(=O)/C(=C/c2cccc(OC)c2)n2nnnc2C)CC1 ZINC000733159859 1075992589 /nfs/dbraw/zinc/99/25/89/1075992589.db2.gz YHGFYCKYFRXVRB-ZHTGWBIJSA-N 1 0 413.526 1.130 20 0 HDADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000733159715 1075992902 /nfs/dbraw/zinc/99/29/02/1075992902.db2.gz IJXGKXJCZOIZMJ-SFHVURJKSA-N 1 0 400.479 1.218 20 0 HDADRO CC[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)CC1 ZINC000733161849 1075994246 /nfs/dbraw/zinc/99/42/46/1075994246.db2.gz KAGZAGRLCFSEHL-UHFFFAOYSA-N 1 0 414.547 1.222 20 0 HDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733161974 1075994660 /nfs/dbraw/zinc/99/46/60/1075994660.db2.gz OEMKZWLXIANQTJ-SJPXOZHESA-N 1 0 401.490 1.261 20 0 HDADRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000511564238 1075995206 /nfs/dbraw/zinc/99/52/06/1075995206.db2.gz PWQRXLWURYRZPO-DTDBQYNISA-N 1 0 401.345 1.716 20 0 HDADRO CC[NH+](CC)CCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000733162623 1075995596 /nfs/dbraw/zinc/99/55/96/1075995596.db2.gz WZLZXMQHHOMHGZ-UHFFFAOYSA-N 1 0 415.531 1.698 20 0 HDADRO O=C(c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000733163870 1075996355 /nfs/dbraw/zinc/99/63/55/1075996355.db2.gz OMCGMHSRKIVTDZ-UHFFFAOYSA-N 1 0 417.531 1.942 20 0 HDADRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000733165023 1075997779 /nfs/dbraw/zinc/99/77/79/1075997779.db2.gz HUEIGSALBJIMFQ-HIFRSBDPSA-N 1 0 417.959 1.867 20 0 HDADRO COc1cc(N2C[C@@H](C(=O)N[C@H](C[NH+](C)C)C(C)C)CC2=O)cc(OC)c1OC ZINC000733165237 1075997999 /nfs/dbraw/zinc/99/79/99/1075997999.db2.gz ACPZGPKCOABUSL-GOEBONIOSA-N 1 0 407.511 1.768 20 0 HDADRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000733167532 1075998649 /nfs/dbraw/zinc/99/86/49/1075998649.db2.gz ZGZOAJVGCJSWKI-ZDUSSCGKSA-N 1 0 403.932 1.431 20 0 HDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](N(Cc2noc(CC)n2)C(C)=O)C1 ZINC000511912148 1075999813 /nfs/dbraw/zinc/99/98/13/1075999813.db2.gz YSCDDFGDHJAZET-DLBZAZTESA-N 1 0 406.531 1.639 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H](C)C[NH+]3CCCCC3)C2)no1 ZINC000514013302 1076014875 /nfs/dbraw/zinc/01/48/75/1076014875.db2.gz MCIGTIZEWNCIOK-NVXWUHKLSA-N 1 0 406.531 1.639 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCCC3CC[NH+](C)CC3)C2)no1 ZINC000514015013 1076015126 /nfs/dbraw/zinc/01/51/26/1076015126.db2.gz FVBSNJITKVOSCC-QGZVFWFLSA-N 1 0 406.531 1.496 20 0 HDADRO CO[C@@H]1C[N@H+](CCCc2cccc(C)c2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973609 1076021398 /nfs/dbraw/zinc/02/13/98/1076021398.db2.gz PTSDXCGOWRGOPW-VNXMGFANSA-N 1 0 402.535 1.795 20 0 HDADRO CO[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973949 1076021613 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DZTGEAQMESRWFC-UHFFFAOYSA-N 1 0 411.572 1.106 20 0 HDADRO C[NH+]1CCN(C[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)c2ccccc2)CC1 ZINC000733349949 1076048743 /nfs/dbraw/zinc/04/87/43/1076048743.db2.gz FICWZWKZGGIHKK-GOSISDBHSA-N 1 0 410.584 1.488 20 0 HDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000733368193 1076055059 /nfs/dbraw/zinc/05/50/59/1076055059.db2.gz UFEVCKXVACENSJ-ZDUSSCGKSA-N 1 0 403.932 1.288 20 0 HDADRO NS(=O)(=O)c1ccc(F)c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000733368495 1076056483 /nfs/dbraw/zinc/05/64/83/1076056483.db2.gz KUNPPTYWOTWGKP-UHFFFAOYSA-N 1 0 405.495 1.910 20 0 HDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N1CCc2ccccc2CC1 ZINC000518246621 1076059170 /nfs/dbraw/zinc/05/91/70/1076059170.db2.gz PSVZWUQJYIYPJV-JOCHJYFZSA-N 1 0 407.514 1.497 20 0 HDADRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C)cc1 ZINC001082652070 1076061320 /nfs/dbraw/zinc/06/13/20/1076061320.db2.gz CXGAFMAMKSTCCR-GAQVFZABSA-N 1 0 418.559 1.840 20 0 HDADRO CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@H]2C)cc1 ZINC001082658572 1076062381 /nfs/dbraw/zinc/06/23/81/1076062381.db2.gz LHPIIHXFYMWGMD-RBUQIHAASA-N 1 0 401.507 1.034 20 0 HDADRO C[C@H](NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1c(F)cccc1F ZINC000519704211 1076063530 /nfs/dbraw/zinc/06/35/30/1076063530.db2.gz CKVFQJRCVMMITN-ZDUSSCGKSA-N 1 0 410.465 1.201 20 0 HDADRO O=C(COC(=O)C[C@H]1C=CS(=O)(=O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733423334 1076066547 /nfs/dbraw/zinc/06/65/47/1076066547.db2.gz FPNZATMIIVNWDY-MRXNPFEDSA-N 1 0 424.544 1.666 20 0 HDADRO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CN2CC[C@H]([NH+]3CCCC3)C2)c1=O ZINC000727168733 1076068036 /nfs/dbraw/zinc/06/80/36/1076068036.db2.gz BIJSUUHDQZRPMD-INIZCTEOSA-N 1 0 421.567 1.201 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@H](CCC(N)=O)C3)cc2)CC1 ZINC000727158522 1076071482 /nfs/dbraw/zinc/07/14/82/1076071482.db2.gz TUIQMBFAFVWFSK-GOSISDBHSA-N 1 0 401.555 1.745 20 0 HDADRO O=C(Nc1cc2c(cc1Br)OCCO2)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000727232049 1076085713 /nfs/dbraw/zinc/08/57/13/1076085713.db2.gz VTIBSAUBVYQUSI-LBPRGKRZSA-N 1 0 424.295 1.856 20 0 HDADRO CN(CC(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(=O)C1CC1 ZINC000733514166 1076087796 /nfs/dbraw/zinc/08/77/96/1076087796.db2.gz QNWLSSDEZLPGGO-UHFFFAOYSA-N 1 0 405.520 1.586 20 0 HDADRO CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(c3nnc4ccccn43)CC2)CC1 ZINC000727241062 1076088124 /nfs/dbraw/zinc/08/81/24/1076088124.db2.gz PJWMMJJMPNULEB-UHFFFAOYSA-N 1 0 400.483 1.209 20 0 HDADRO Cc1nn(CC(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)c1Cl ZINC000733518270 1076093312 /nfs/dbraw/zinc/09/33/12/1076093312.db2.gz GPJVBFQAMQIDMM-OAHLLOKOSA-N 1 0 400.907 1.170 20 0 HDADRO Cc1oc(NC(=O)CN2CC[NH+](CCc3ccccc3)CC2)c2c1c(C)n[nH]c2=O ZINC000022134718 1076094747 /nfs/dbraw/zinc/09/47/47/1076094747.db2.gz BCUDXMFCDVLYEL-UHFFFAOYSA-N 1 0 409.490 1.932 20 0 HDADRO O=C(OCCCN1C(=O)CNC1=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000733529995 1076095481 /nfs/dbraw/zinc/09/54/81/1076095481.db2.gz GHPNHCBDCOURPX-GOSISDBHSA-N 1 0 413.396 1.926 20 0 HDADRO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001626110497 1076097915 /nfs/dbraw/zinc/09/79/15/1076097915.db2.gz BDPLKRKHCFISDY-KRWDZBQOSA-N 1 0 423.579 1.944 20 0 HDADRO CCOC(=O)N1CCC(NC(=O)C[NH2+][C@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000727384740 1076103143 /nfs/dbraw/zinc/10/31/43/1076103143.db2.gz TZAAITSPBBWKNK-HXUWFJFHSA-N 1 0 418.538 1.387 20 0 HDADRO O=C(CC[C@@H]1NC(=O)NC1=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727395900 1076112403 /nfs/dbraw/zinc/11/24/03/1076112403.db2.gz DMHYJNPWNKYSAG-KRWDZBQOSA-N 1 0 415.494 1.818 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)COC[C@H]3CCCO3)cc2)CC1 ZINC000733590820 1076119188 /nfs/dbraw/zinc/11/91/88/1076119188.db2.gz ANIRJJFWHVNWDE-LJQANCHMSA-N 1 0 405.495 1.506 20 0 HDADRO C[C@@H](OC(=O)COC[C@H]1CCCO1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000733592432 1076119197 /nfs/dbraw/zinc/11/91/97/1076119197.db2.gz 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1.142 20 0 HDADRO COc1ccc(OC)c([C@H](O)CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1 ZINC000728134644 1076339593 /nfs/dbraw/zinc/33/95/93/1076339593.db2.gz DPSMFCDIEQGVFB-LJQANCHMSA-N 1 0 415.490 1.596 20 0 HDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000728135392 1076340022 /nfs/dbraw/zinc/34/00/22/1076340022.db2.gz IYRRKDRROCQSEI-HOTGVXAUSA-N 1 0 406.502 1.837 20 0 HDADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)O1 ZINC000728136012 1076340126 /nfs/dbraw/zinc/34/01/26/1076340126.db2.gz SDQSLQUAIDOKDA-HOTGVXAUSA-N 1 0 422.501 1.216 20 0 HDADRO O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000728138443 1076340814 /nfs/dbraw/zinc/34/08/14/1076340814.db2.gz FEKPKDSKRPQRAP-UHFFFAOYSA-N 1 0 418.513 1.935 20 0 HDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728140701 1076341267 /nfs/dbraw/zinc/34/12/67/1076341267.db2.gz DPFUYBJCLKZWND-CVEARBPZSA-N 1 0 406.502 1.837 20 0 HDADRO Cc1nccn1-c1ccc(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)cn1 ZINC000728143836 1076342710 /nfs/dbraw/zinc/34/27/10/1076342710.db2.gz RPLZOVIXUYJULU-UHFFFAOYSA-N 1 0 406.490 1.935 20 0 HDADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@]2(O)CCSC2)CC1 ZINC000498146365 1076353783 /nfs/dbraw/zinc/35/37/83/1076353783.db2.gz ZCYCFSXLCGXIHK-KRWDZBQOSA-N 1 0 403.470 1.941 20 0 HDADRO CC1(C)NC(=O)N(CCC[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O ZINC000728171872 1076363663 /nfs/dbraw/zinc/36/36/63/1076363663.db2.gz VKHBERJIGAJQRF-UHFFFAOYSA-N 1 0 416.478 1.786 20 0 HDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCCC[C@H]3C3OCCO3)CC2)cc1 ZINC000728174844 1076365097 /nfs/dbraw/zinc/36/50/97/1076365097.db2.gz YKJNOAMYLFFRDQ-NRFANRHFSA-N 1 0 417.550 1.957 20 0 HDADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000729882950 1076376318 /nfs/dbraw/zinc/37/63/18/1076376318.db2.gz WCJKRZCOCMTIQX-UHFFFAOYSA-N 1 0 416.478 1.343 20 0 HDADRO Cc1cccc(C2N=NC(=S)N2CCC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000730086428 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ZINC001164931490 721881184 /nfs/dbraw/zinc/88/11/84/721881184.db2.gz FTPNYRHPYKNDOL-IRXDYDNUSA-N 1 0 400.527 1.127 20 0 HDADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)nc1 ZINC001164935479 721881401 /nfs/dbraw/zinc/88/14/01/721881401.db2.gz WYQBUUKYWXDELK-WDSOQIARSA-N 1 0 409.600 1.763 20 0 HDADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)nc1 ZINC001164933022 721881523 /nfs/dbraw/zinc/88/15/23/721881523.db2.gz KVHJSFKIVBEPCF-MOPGFXCFSA-N 1 0 409.600 1.763 20 0 HDADRO C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@@H](CC(=O)NC5CCC5)OC[C@H]4C3)n2)CC1 ZINC001164936100 721896629 /nfs/dbraw/zinc/89/66/29/721896629.db2.gz XWBMKMSYFMXVMR-MISYRCLQSA-N 1 0 413.566 1.734 20 0 HDADRO Cn1ccc(CN2CCOCC23CCN(c2ccc(N4CC[NH2+]CC4)cn2)CC3)n1 ZINC001164935174 721906993 /nfs/dbraw/zinc/90/69/93/721906993.db2.gz AYZKATPFWBFTLI-UHFFFAOYSA-N 1 0 411.554 1.096 20 0 HDADRO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@@H]21 ZINC001164943532 721938536 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404.474 1.733 20 0 HDADRO CC(=O)N[C@@](C)(C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC001299281582 1073493370 /nfs/dbraw/zinc/49/33/70/1073493370.db2.gz PJVTWBBNWDVTLK-YLJYHZDGSA-N 1 0 409.552 1.383 20 0 HDADRO COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000625102141 1073495854 /nfs/dbraw/zinc/49/58/54/1073495854.db2.gz QJCCNGDTEUDJOM-UHFFFAOYSA-N 1 0 410.474 1.518 20 0 HDADRO C[N@@H+]1C[C@H](C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)[C@@H](c2ccccc2)C1 ZINC001004673032 1073528006 /nfs/dbraw/zinc/52/80/06/1073528006.db2.gz NPXNDKLBGJIEIC-LVXVCZMBSA-N 1 0 409.530 1.330 20 0 HDADRO COC(=O)Cn1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000429084838 1073531673 /nfs/dbraw/zinc/53/16/73/1073531673.db2.gz XMWDEPHBNVXANC-QAPCUYQASA-N 1 0 400.483 1.161 20 0 HDADRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)C[C@H](C)O1 ZINC000429086273 1073532500 /nfs/dbraw/zinc/53/25/00/1073532500.db2.gz UOKLYQWFQCCSIN-CALCHBBNSA-N 1 0 420.558 1.715 20 0 HDADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1 ZINC000671406959 1073532949 /nfs/dbraw/zinc/53/29/49/1073532949.db2.gz RLQVDODFXZGBAX-FUHWJXTLSA-N 1 0 406.571 1.520 20 0 HDADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H](CCCO)c1ccccc1 ZINC000509109217 1073550428 /nfs/dbraw/zinc/55/04/28/1073550428.db2.gz IEOZOWLIHOKFPH-HXUWFJFHSA-N 1 0 404.555 1.101 20 0 HDADRO O=C(Cc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1)N1CCOCC1 ZINC000429093180 1073554229 /nfs/dbraw/zinc/55/42/29/1073554229.db2.gz ACUKDHXIBRAJLM-LJQANCHMSA-N 1 0 416.522 1.274 20 0 HDADRO CCOc1ccc(C2(CNC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)CCOCC2)cc1 ZINC000671415877 1073576401 /nfs/dbraw/zinc/57/64/01/1073576401.db2.gz VWDYZDDNKDNHEN-SFHVURJKSA-N 1 0 403.523 1.460 20 0 HDADRO Cc1nnc(CN(C)CC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1C ZINC000509119171 1073590193 /nfs/dbraw/zinc/59/01/93/1073590193.db2.gz AXYQFUWWGISHRL-CALCHBBNSA-N 1 0 414.554 1.481 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673673581 1073628700 /nfs/dbraw/zinc/62/87/00/1073628700.db2.gz XFSQZKQFBSIPIB-LPHOPBHVSA-N 1 0 413.522 1.527 20 0 HDADRO CC[NH+]1CCN(c2ccc(C(=O)N3CCc4ccc(S(N)(=O)=O)cc43)cc2)CC1 ZINC000673673792 1073630113 /nfs/dbraw/zinc/63/01/13/1073630113.db2.gz ZWMUFKJIXLIETC-UHFFFAOYSA-N 1 0 414.531 1.679 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)C1 ZINC000673682366 1073638081 /nfs/dbraw/zinc/63/80/81/1073638081.db2.gz YTLXQTCTZAWJJX-AZUAARDMSA-N 1 0 423.517 1.910 20 0 HDADRO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000015362010 1073642753 /nfs/dbraw/zinc/64/27/53/1073642753.db2.gz HAIRNEDILSSKRI-UHFFFAOYSA-N 1 0 411.549 1.654 20 0 HDADRO O=C(NCCc1nc2ccccc2s1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673703390 1073644731 /nfs/dbraw/zinc/64/47/31/1073644731.db2.gz PNZQESOQKXFPIN-INIZCTEOSA-N 1 0 403.552 1.545 20 0 HDADRO CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)Cc1nnc2ccccn21 ZINC000673711787 1073652759 /nfs/dbraw/zinc/65/27/59/1073652759.db2.gz PRKDLZINRLATQW-UHFFFAOYSA-N 1 0 400.527 1.312 20 0 HDADRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509136580 1073702339 /nfs/dbraw/zinc/70/23/39/1073702339.db2.gz IONAJUDLWDDCND-CYBMUJFWSA-N 1 0 420.938 1.931 20 0 HDADRO COc1cc(C)c(CN2CCN(C(=O)C[N@@H+]3CC[C@H](O)C[C@@H]3C)CC2)cc1OC ZINC000429126937 1073705684 /nfs/dbraw/zinc/70/56/84/1073705684.db2.gz AJGSVURBAKKTIF-HKUYNNGSSA-N 1 0 405.539 1.502 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000673771930 1073705904 /nfs/dbraw/zinc/70/59/04/1073705904.db2.gz PFCRSRSLUGUALX-MJGOQNOKSA-N 1 0 408.568 1.716 20 0 HDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429130345 1073712414 /nfs/dbraw/zinc/71/24/14/1073712414.db2.gz HCBWUCPNBCZZGF-OAHLLOKOSA-N 1 0 417.959 1.996 20 0 HDADRO Cc1nc(CN2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)cs1 ZINC000509142698 1073714870 /nfs/dbraw/zinc/71/48/70/1073714870.db2.gz XPDODOOSSKVDPU-UHFFFAOYSA-N 1 0 415.567 1.098 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000673780903 1073717159 /nfs/dbraw/zinc/71/71/59/1073717159.db2.gz FUYCRCVCXDKZJZ-JKSUJKDBSA-N 1 0 402.948 1.666 20 0 HDADRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673783643 1073721080 /nfs/dbraw/zinc/72/10/80/1073721080.db2.gz GJRKBRQNCPHDOQ-OAQYLSRUSA-N 1 0 414.550 1.587 20 0 HDADRO C[C@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@@H]1OCCc2sccc21 ZINC000429133272 1073728128 /nfs/dbraw/zinc/72/81/28/1073728128.db2.gz NSVZUSMIXPWPEE-LIRRHRJNSA-N 1 0 403.504 1.918 20 0 HDADRO CC(C)[C@H](NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1nncn1C ZINC000509143083 1073733468 /nfs/dbraw/zinc/73/34/68/1073733468.db2.gz XFVCHODAMHAVFI-SFHVURJKSA-N 1 0 419.574 1.536 20 0 HDADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000429136562 1073744935 /nfs/dbraw/zinc/74/49/35/1073744935.db2.gz XKEBCVGLTTVOAJ-QFIPXVFZSA-N 1 0 412.490 1.651 20 0 HDADRO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(OCC[NH+](C)C)cc3)nc12 ZINC000673788974 1073744973 /nfs/dbraw/zinc/74/49/73/1073744973.db2.gz QXSSVIDSERIRGK-UHFFFAOYSA-N 1 0 409.490 1.881 20 0 HDADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CC[C@H](CO)C1 ZINC000673802054 1073750288 /nfs/dbraw/zinc/75/02/88/1073750288.db2.gz AHRSGQUCSUAHPE-IBGZPJMESA-N 1 0 403.523 1.015 20 0 HDADRO CON(C)S(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC001168742279 1073752363 /nfs/dbraw/zinc/75/23/63/1073752363.db2.gz ILORHZGONQUYEQ-SFHVURJKSA-N 1 0 421.494 1.664 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000501215105 1073764867 /nfs/dbraw/zinc/76/48/67/1073764867.db2.gz AQXRJEPXFMHBHW-CZUORRHYSA-N 1 0 400.545 1.539 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C ZINC000501235178 1073766142 /nfs/dbraw/zinc/76/61/42/1073766142.db2.gz NXSOYDGVBVVCLH-HNNXBMFYSA-N 1 0 420.579 1.969 20 0 HDADRO CC(=O)Nc1ccc(S(=O)(=O)NC2CC[NH+](CCOC(C)C)CC2)c(F)c1 ZINC000673825727 1073769632 /nfs/dbraw/zinc/76/96/32/1073769632.db2.gz SGGIXCZDAUIPBV-UHFFFAOYSA-N 1 0 401.504 1.952 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(CCNC(C)=O)cc2)C1 ZINC000673825182 1073770642 /nfs/dbraw/zinc/77/06/42/1073770642.db2.gz UGXULIOYHYCROX-LJQANCHMSA-N 1 0 411.568 1.487 20 0 HDADRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)C[C@H](C)O1 ZINC000509156802 1073780163 /nfs/dbraw/zinc/78/01/63/1073780163.db2.gz VMVRFMNDARSWIY-CALCHBBNSA-N 1 0 415.600 1.732 20 0 HDADRO O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001168743655 1073789612 /nfs/dbraw/zinc/78/96/12/1073789612.db2.gz PSCLPAPTKDKQFL-IBGZPJMESA-N 1 0 417.506 1.923 20 0 HDADRO C[C@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000509160708 1073791895 /nfs/dbraw/zinc/79/18/95/1073791895.db2.gz GJXDTAVZZBARKT-FUHWJXTLSA-N 1 0 411.506 1.744 20 0 HDADRO C[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000509160709 1073792034 /nfs/dbraw/zinc/79/20/34/1073792034.db2.gz GJXDTAVZZBARKT-SJLPKXTDSA-N 1 0 411.506 1.744 20 0 HDADRO NC(=O)CNC(=O)c1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057174365 1073795889 /nfs/dbraw/zinc/79/58/89/1073795889.db2.gz RPMPUMORGDSEFL-UHFFFAOYSA-N 1 0 408.502 1.430 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[N@@H+]1Cc1ccccc1 ZINC000466541962 1073799174 /nfs/dbraw/zinc/79/91/74/1073799174.db2.gz SSZGIYJEKYGUOR-WMLDXEAASA-N 1 0 422.489 1.417 20 0 HDADRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000543490860 1073799325 /nfs/dbraw/zinc/79/93/25/1073799325.db2.gz GSGBGSVVMFOYRL-DNVCBOLYSA-N 1 0 406.502 1.123 20 0 HDADRO CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CC(N)=O)C2CCOCC2)cc1 ZINC000543490814 1073800204 /nfs/dbraw/zinc/80/02/04/1073800204.db2.gz SPMOCHGNFFLWHQ-KDOFPFPSSA-N 1 0 405.495 1.839 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000673839901 1073805395 /nfs/dbraw/zinc/80/53/95/1073805395.db2.gz IENDJQSAOGFNBO-YADHBBJMSA-N 1 0 418.557 1.703 20 0 HDADRO O=C(Cn1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1)NC1CCCC1 ZINC000673860436 1073828463 /nfs/dbraw/zinc/82/84/63/1073828463.db2.gz ZCMZUVHGZALEOS-ZWKOTPCHSA-N 1 0 404.515 1.005 20 0 HDADRO O=C(NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861002 1073829620 /nfs/dbraw/zinc/82/96/20/1073829620.db2.gz LOWXFKVRENQQPE-KRWDZBQOSA-N 1 0 422.445 1.713 20 0 HDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccc(Br)cc1C ZINC000466542273 1073832173 /nfs/dbraw/zinc/83/21/73/1073832173.db2.gz UVHDPVFFPFWTSR-UHFFFAOYSA-N 1 0 412.328 1.620 20 0 HDADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000543494563 1073836596 /nfs/dbraw/zinc/83/65/96/1073836596.db2.gz MFGRLIAYCRZUPP-GLJUWKHASA-N 1 0 424.567 1.314 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCc3c(cccc3NS(C)(=O)=O)C2)cn1 ZINC000673870964 1073836757 /nfs/dbraw/zinc/83/67/57/1073836757.db2.gz UVRIHKIMRVGDEH-UHFFFAOYSA-N 1 0 406.512 1.406 20 0 HDADRO CC[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000029607396 1073840028 /nfs/dbraw/zinc/84/00/28/1073840028.db2.gz SXOPTOJXWJDSQT-UHFFFAOYSA-N 1 0 415.506 1.966 20 0 HDADRO O=C(NC1CCN(CC(F)F)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000673876605 1073843832 /nfs/dbraw/zinc/84/38/32/1073843832.db2.gz HDDIZQPGKXQYIG-IEBWSBKVSA-N 1 0 410.509 1.898 20 0 HDADRO Cc1ccc(NC(=O)C(=O)NCc2csc(N(C)C)n2)c(OCC[NH+](C)C)c1 ZINC000673887128 1073847629 /nfs/dbraw/zinc/84/76/29/1073847629.db2.gz GRBSNPIHVJHFQG-UHFFFAOYSA-N 1 0 405.524 1.713 20 0 HDADRO Cc1cc(NC(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)n(-c2ccc(F)cc2)n1 ZINC000543497712 1073849281 /nfs/dbraw/zinc/84/92/81/1073849281.db2.gz OLCULCMMEQGCBJ-QGZVFWFLSA-N 1 0 403.458 1.519 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000673878124 1073849936 /nfs/dbraw/zinc/84/99/36/1073849936.db2.gz DBFXATHCQSCRJK-GOSISDBHSA-N 1 0 417.554 1.553 20 0 HDADRO O=C(NCc1nnnn1-c1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000673879196 1073851055 /nfs/dbraw/zinc/85/10/55/1073851055.db2.gz WQSOQRSHVMLFKS-UYAOXDASSA-N 1 0 421.505 1.345 20 0 HDADRO Cc1ccc(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(OC[C@@H]2CCCO2)c1 ZINC000466548072 1073851147 /nfs/dbraw/zinc/85/11/47/1073851147.db2.gz KYWCQJAGRDGIOS-ICSRJNTNSA-N 1 0 404.555 1.988 20 0 HDADRO C[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000543496540 1073857452 /nfs/dbraw/zinc/85/74/52/1073857452.db2.gz RFFRSPMMVASALU-WDEREUQCSA-N 1 0 412.412 1.650 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 ZINC000673890414 1073863299 /nfs/dbraw/zinc/86/32/99/1073863299.db2.gz DUGNZBJXUSQBRI-UHFFFAOYSA-N 1 0 400.483 1.211 20 0 HDADRO CC(C)(CO)[NH+]1CCN(CC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000673896440 1073866536 /nfs/dbraw/zinc/86/65/36/1073866536.db2.gz URWANAJAIOBEPA-UHFFFAOYSA-N 1 0 403.445 1.589 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1 ZINC000766041461 1073871421 /nfs/dbraw/zinc/87/14/21/1073871421.db2.gz ALDFDMYSNDICTH-SFHVURJKSA-N 1 0 415.538 1.985 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)CC1=O ZINC001299288682 1073875051 /nfs/dbraw/zinc/87/50/51/1073875051.db2.gz ATCKTHSGMMXPRY-OGWOLHLISA-N 1 0 400.479 1.183 20 0 HDADRO Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1S(N)(=O)=O ZINC000429161992 1073883113 /nfs/dbraw/zinc/88/31/13/1073883113.db2.gz WYIMJHCILOYZEW-KZULUSFZSA-N 1 0 409.533 1.935 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)C2=O)c1 ZINC000673914051 1073890301 /nfs/dbraw/zinc/89/03/01/1073890301.db2.gz PBFQFSXGMNYRKY-BEFAXECRSA-N 1 0 404.511 1.981 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cnc3ccc(Br)cn23)C1=O ZINC000673929793 1073898459 /nfs/dbraw/zinc/89/84/59/1073898459.db2.gz MYJSROWVKXEONX-APPDUMDISA-N 1 0 406.284 1.907 20 0 HDADRO CC(C)([NH2+]CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000543506608 1073910156 /nfs/dbraw/zinc/91/01/56/1073910156.db2.gz ZIFSQVPAVLKJDP-GJZGRUSLSA-N 1 0 400.566 1.768 20 0 HDADRO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)cn2)CC1 ZINC000014521963 1073913381 /nfs/dbraw/zinc/91/33/81/1073913381.db2.gz FLHUJDYCMOPJQX-UHFFFAOYSA-N 1 0 415.519 1.626 20 0 HDADRO CC(C)(O)C[NH+]1CCN(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000429171584 1073925580 /nfs/dbraw/zinc/92/55/80/1073925580.db2.gz OEDMNFZXHXRBQX-SIKLNZKXSA-N 1 0 407.530 1.998 20 0 HDADRO NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000030493866 1073934198 /nfs/dbraw/zinc/93/41/98/1073934198.db2.gz DDPBXIXJNCGCIE-UHFFFAOYSA-N 1 0 409.533 1.277 20 0 HDADRO O=C(NC1CCN(c2cccnn2)CC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000429173930 1073948966 /nfs/dbraw/zinc/94/89/66/1073948966.db2.gz XDKGQNRYVZSICX-UHFFFAOYSA-N 1 0 416.570 1.979 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)NC3CCN(c4cccnn4)CC3)CC2)CC1 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1.305 20 0 HDADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2C[C@@]23c2ccccc2NC3=O)CC1 ZINC001128726711 1074343362 /nfs/dbraw/zinc/34/33/62/1074343362.db2.gz IKIPTEQMOMALAD-XMSQKQJNSA-N 1 0 401.507 1.482 20 0 HDADRO CN(CCN1CCCS1(=O)=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000674433219 1074343798 /nfs/dbraw/zinc/34/37/98/1074343798.db2.gz UTQPEVMKNONFKW-UHFFFAOYSA-N 1 0 424.567 1.338 20 0 HDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)[C@H](C)C1 ZINC000674432798 1074343820 /nfs/dbraw/zinc/34/38/20/1074343820.db2.gz HWDGZKMPKUFDMM-MXTNKPTQSA-N 1 0 423.558 1.143 20 0 HDADRO CCN1C(=O)[C@H]2C[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)CCN2C1=O ZINC000674467537 1074366454 /nfs/dbraw/zinc/36/64/54/1074366454.db2.gz GHMHJJNGRYDOLR-BXUZGUMPSA-N 1 0 402.278 1.701 20 0 HDADRO Cc1cc(C)c(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(=O)[nH]1 ZINC001005312473 1074369565 /nfs/dbraw/zinc/36/95/65/1074369565.db2.gz QEMLEIUVIJSCHO-RTYCURFASA-N 1 0 400.523 1.535 20 0 HDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)C1 ZINC000674516779 1074419359 /nfs/dbraw/zinc/41/93/59/1074419359.db2.gz WAESGNRGSZNZTE-HZPDHXFCSA-N 1 0 405.495 1.284 20 0 HDADRO COc1cc(OC)cc(N2C[C@H](C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2=O)c1 ZINC000674546533 1074428089 /nfs/dbraw/zinc/42/80/89/1074428089.db2.gz UEKBJPGTMLDSIJ-XPGWFJOJSA-N 1 0 417.506 1.114 20 0 HDADRO C[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674550610 1074434319 /nfs/dbraw/zinc/43/43/19/1074434319.db2.gz KPDYOPGUYWBFCA-SNRMKQJTSA-N 1 0 409.552 1.098 20 0 HDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)ccc1F ZINC001168752860 1074481631 /nfs/dbraw/zinc/48/16/31/1074481631.db2.gz MHUQBOYVHPOLGK-KRWDZBQOSA-N 1 0 423.485 1.872 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1=O ZINC000674614664 1074485346 /nfs/dbraw/zinc/48/53/46/1074485346.db2.gz FCXBXNOGVDDZDI-QRWLVFNGSA-N 1 0 423.583 1.368 20 0 HDADRO CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccco1 ZINC000674621546 1074488837 /nfs/dbraw/zinc/48/88/37/1074488837.db2.gz NSPDHQYNGIBDCS-SXGZJXTBSA-N 1 0 405.499 1.682 20 0 HDADRO CN(CCN1CCCS1(=O)=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000674637155 1074490928 /nfs/dbraw/zinc/49/09/28/1074490928.db2.gz NJQJHSGQIVRCCX-MRXNPFEDSA-N 1 0 402.948 1.620 20 0 HDADRO CCn1nc2c(cc1=O)CN(C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC000674625108 1074491946 /nfs/dbraw/zinc/49/19/46/1074491946.db2.gz IBDKLGUIUWTVHT-UHFFFAOYSA-N 1 0 413.522 1.862 20 0 HDADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000674638019 1074497699 /nfs/dbraw/zinc/49/76/99/1074497699.db2.gz BPXRTDGNDKXXMR-PGRDOPGGSA-N 1 0 415.538 1.789 20 0 HDADRO C[C@H](C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674660888 1074506245 /nfs/dbraw/zinc/50/62/45/1074506245.db2.gz HBYVUOJABJXNQQ-ZDUSSCGKSA-N 1 0 403.504 1.993 20 0 HDADRO C[C@@H](C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674660887 1074506276 /nfs/dbraw/zinc/50/62/76/1074506276.db2.gz HBYVUOJABJXNQQ-CYBMUJFWSA-N 1 0 403.504 1.993 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NS(=O)(=O)c2ccc3c(c2)OCO3)C1 ZINC000509234074 1074508938 /nfs/dbraw/zinc/50/89/38/1074508938.db2.gz MANKZNDALZOSEK-OAHLLOKOSA-N 1 0 417.487 1.913 20 0 HDADRO C[C@H](C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674667737 1074519374 /nfs/dbraw/zinc/51/93/74/1074519374.db2.gz MFGYZZDHFBRPNU-KRWDZBQOSA-N 1 0 407.580 1.680 20 0 HDADRO CC[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Oc1cccc(F)c1 ZINC000674673258 1074524590 /nfs/dbraw/zinc/52/45/90/1074524590.db2.gz FSLFWJIPJFJDQK-MOPGFXCFSA-N 1 0 408.518 1.689 20 0 HDADRO CC(C)C1CCC([NH+]2CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC2)CC1 ZINC000674674080 1074525411 /nfs/dbraw/zinc/52/54/11/1074525411.db2.gz VWZOOWCNJOLJAK-UHFFFAOYSA-N 1 0 402.605 1.856 20 0 HDADRO O=C(NCCCc1nc2ccccc2[nH]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674692973 1074525960 /nfs/dbraw/zinc/52/59/60/1074525960.db2.gz MQYGCIZTYHRYDL-KRWDZBQOSA-N 1 0 400.527 1.201 20 0 HDADRO O=C(NC1CCOCC1)c1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000674697182 1074527190 /nfs/dbraw/zinc/52/71/90/1074527190.db2.gz MECXTLAXGCXYHS-VQTJNVASSA-N 1 0 416.522 1.658 20 0 HDADRO COc1cc(OC)cc(OCCCNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000674707399 1074535629 /nfs/dbraw/zinc/53/56/29/1074535629.db2.gz DTIFSHFZOKEEON-SFHVURJKSA-N 1 0 420.554 1.894 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000674724989 1074541161 /nfs/dbraw/zinc/54/11/61/1074541161.db2.gz PYZCCIRGMRDFDL-RBBKRZOGSA-N 1 0 416.566 1.474 20 0 HDADRO O=C(Nc1cnn(-c2ncccn2)c1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000674764916 1074559632 /nfs/dbraw/zinc/55/96/32/1074559632.db2.gz MVNQLKZUEMVWFJ-IBGZPJMESA-N 1 0 419.489 1.944 20 0 HDADRO C[N@@H+]1CCCN(CCCNC(=O)CNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000674799702 1074569657 /nfs/dbraw/zinc/56/96/57/1074569657.db2.gz BEFAHGNITXEBDA-UHFFFAOYSA-N 1 0 400.445 1.579 20 0 HDADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000674808870 1074575260 /nfs/dbraw/zinc/57/52/60/1074575260.db2.gz KYIYUBAQZQOOBX-IAGOWNOFSA-N 1 0 419.551 1.210 20 0 HDADRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)C1 ZINC000674898637 1074605571 /nfs/dbraw/zinc/60/55/71/1074605571.db2.gz RZZCSFRBUGCBBL-AUUYWEPGSA-N 1 0 410.474 1.973 20 0 HDADRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001128872225 1074605610 /nfs/dbraw/zinc/60/56/10/1074605610.db2.gz KTGYCEXUPGTBHT-MRXNPFEDSA-N 1 0 413.515 1.403 20 0 HDADRO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000674892281 1074609065 /nfs/dbraw/zinc/60/90/65/1074609065.db2.gz BEBOHRGHJGKMGM-IKGGRYGDSA-N 1 0 408.449 1.311 20 0 HDADRO CCC(=O)N1CCC([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 ZINC000674913969 1074613156 /nfs/dbraw/zinc/61/31/56/1074613156.db2.gz XAEYTPUSFWEKEC-SFHVURJKSA-N 1 0 402.543 1.273 20 0 HDADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cn2)CC1 ZINC000674916490 1074613560 /nfs/dbraw/zinc/61/35/60/1074613560.db2.gz PLEJUPXKNZSGMR-MOPGFXCFSA-N 1 0 403.527 1.313 20 0 HDADRO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[NH+]1CCC(OCCCO)CC1 ZINC000674913358 1074619422 /nfs/dbraw/zinc/61/94/22/1074619422.db2.gz OKTBYIIFDZWITH-IBGZPJMESA-N 1 0 419.566 1.387 20 0 HDADRO C[NH+]1CCN(C[C@H](NC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c2ccccc2)CC1 ZINC000674929297 1074626245 /nfs/dbraw/zinc/62/62/45/1074626245.db2.gz QSOLTAMGSRTYRZ-PWRODBHTSA-N 1 0 402.539 1.565 20 0 HDADRO COc1ccc([C@H](CNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)[NH+](C)C)cc1OC ZINC000674970937 1074654909 /nfs/dbraw/zinc/65/49/09/1074654909.db2.gz CGESIHXJBBXDLO-QRFRQXIXSA-N 1 0 407.511 1.896 20 0 HDADRO C[C@H]1CN(c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc2)CCO1 ZINC000737165838 1074668210 /nfs/dbraw/zinc/66/82/10/1074668210.db2.gz 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FGMSMPLGZUVBGG-YJBOKZPZSA-N 1 0 421.885 1.903 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1 ZINC000675180795 1074753822 /nfs/dbraw/zinc/75/38/22/1074753822.db2.gz SQEWNFLMAJJTKE-QGZVFWFLSA-N 1 0 412.556 1.285 20 0 HDADRO CC(C)(C)N1C[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1=O ZINC000429322283 1074754405 /nfs/dbraw/zinc/75/44/05/1074754405.db2.gz JSRFNCXWXIIIHJ-QRVBRYPASA-N 1 0 402.539 1.568 20 0 HDADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)C2=O)cc1 ZINC000675183107 1074754675 /nfs/dbraw/zinc/75/46/75/1074754675.db2.gz PFOZLGHQZQAXQV-MOPGFXCFSA-N 1 0 400.523 1.201 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000675197889 1074755344 /nfs/dbraw/zinc/75/53/44/1074755344.db2.gz RNZBZETZAUPCDY-INIZCTEOSA-N 1 0 409.556 1.040 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000675197625 1074755472 /nfs/dbraw/zinc/75/54/72/1074755472.db2.gz QBIQXKDGBLGYSE-IBGZPJMESA-N 1 0 402.539 1.966 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3cccn4c(=O)[nH]nc34)c2)C1 ZINC000509319172 1074769643 /nfs/dbraw/zinc/76/96/43/1074769643.db2.gz MTZSAIKOQKQFOM-MRXNPFEDSA-N 1 0 408.462 1.062 20 0 HDADRO O=C(NCCc1c[nH]c2ccc(F)cc12)Nc1ccn(CCN2CCOCC2)n1 ZINC000432158783 1074770395 /nfs/dbraw/zinc/77/03/95/1074770395.db2.gz YAASRXFWKSHULE-UHFFFAOYSA-N 1 0 400.458 2.200 20 0 HDADRO CCOc1cc(Cl)ccc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000675263309 1074773673 /nfs/dbraw/zinc/77/36/73/1074773673.db2.gz DTAVPXGJMORZDS-INIZCTEOSA-N 1 0 408.930 1.916 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000477062978 1074773831 /nfs/dbraw/zinc/77/38/31/1074773831.db2.gz ZAGGCICJCHHDRT-PKOBYXMFSA-N 1 0 406.596 1.567 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000477067345 1074776933 /nfs/dbraw/zinc/77/69/33/1074776933.db2.gz NKLGONZJFIDGEN-APWZRJJASA-N 1 0 408.518 1.162 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000477069408 1074779269 /nfs/dbraw/zinc/77/92/69/1074779269.db2.gz QSUUZWVJEMMYAK-MRXNPFEDSA-N 1 0 403.527 1.646 20 0 HDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675291909 1074782398 /nfs/dbraw/zinc/78/23/98/1074782398.db2.gz WQSVENLCIANVSK-CPUCHLNUSA-N 1 0 422.476 1.423 20 0 HDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675291911 1074782542 /nfs/dbraw/zinc/78/25/42/1074782542.db2.gz WQSVENLCIANVSK-KEYYUXOJSA-N 1 0 422.476 1.423 20 0 HDADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000675290924 1074782591 /nfs/dbraw/zinc/78/25/91/1074782591.db2.gz FWORZXXYAVHROR-MOPGFXCFSA-N 1 0 418.513 1.376 20 0 HDADRO O=C([C@@H]1CC(=O)N(Cc2ccccn2)C1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000675280396 1074785580 /nfs/dbraw/zinc/78/55/80/1074785580.db2.gz DTIWKTAFQFOZAL-QUCCMNQESA-N 1 0 400.523 1.534 20 0 HDADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000675294370 1074790081 /nfs/dbraw/zinc/79/00/81/1074790081.db2.gz FWJMFBKTKYLLHC-WBMJQRKESA-N 1 0 408.449 1.033 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000477087383 1074790272 /nfs/dbraw/zinc/79/02/72/1074790272.db2.gz WYBKPWZNLMIPPJ-WMLDXEAASA-N 1 0 407.490 1.395 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000477089059 1074790784 /nfs/dbraw/zinc/79/07/84/1074790784.db2.gz ZPQPNBGDVBOAIG-WMLDXEAASA-N 1 0 416.501 1.362 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000477101786 1074800567 /nfs/dbraw/zinc/80/05/67/1074800567.db2.gz ROSRHWVJVCFLGH-IPELMVKDSA-N 1 0 424.973 1.674 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000477103656 1074801598 /nfs/dbraw/zinc/80/15/98/1074801598.db2.gz WTABTEBLKSGQKK-OAHLLOKOSA-N 1 0 421.538 1.486 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000477103698 1074801770 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DPXNMNLTROXOOW-CQSZACIVSA-N 1 0 415.494 1.147 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC[C@H]21 ZINC000766109888 1074817041 /nfs/dbraw/zinc/81/70/41/1074817041.db2.gz QPSWFAUIMJLONV-IUODEOHRSA-N 1 0 405.300 1.981 20 0 HDADRO Cc1cc(NC(=O)CCN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)no1 ZINC000501987357 1075094808 /nfs/dbraw/zinc/09/48/08/1075094808.db2.gz VRRROGKKQAYFRF-NRFANRHFSA-N 1 0 411.462 1.898 20 0 HDADRO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000509331300 1075120726 /nfs/dbraw/zinc/12/07/26/1075120726.db2.gz MBELYLFKUIJBGF-GFCCVEGCSA-N 1 0 419.345 1.386 20 0 HDADRO CN(CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ncnc2nc[nH]c21 ZINC000429341650 1075122526 /nfs/dbraw/zinc/12/25/26/1075122526.db2.gz QETDPZZYIPHQGM-KRWDZBQOSA-N 1 0 409.494 1.196 20 0 HDADRO CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675396254 1075125264 /nfs/dbraw/zinc/12/52/64/1075125264.db2.gz HSPLRRYOPVTWBB-UHFFFAOYSA-N 1 0 420.466 1.053 20 0 HDADRO CCCNC(=O)c1cccc(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000518156704 1075129234 /nfs/dbraw/zinc/12/92/34/1075129234.db2.gz UMFQNDQWWICWCG-UHFFFAOYSA-N 1 0 412.494 1.867 20 0 HDADRO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000675404846 1075129636 /nfs/dbraw/zinc/12/96/36/1075129636.db2.gz VIALUVQGTIKBBP-AZUAARDMSA-N 1 0 424.549 1.669 20 0 HDADRO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000675406718 1075133384 /nfs/dbraw/zinc/13/33/84/1075133384.db2.gz CXBALDUDZLFHMY-DOTOQJQBSA-N 1 0 416.522 1.254 20 0 HDADRO O=C(Nc1cc[nH]n1)C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000426183291 1075133708 /nfs/dbraw/zinc/13/37/08/1075133708.db2.gz KSWKWZLPVUDUQQ-UHFFFAOYSA-N 1 0 419.489 1.747 20 0 HDADRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC000539642857 1075137309 /nfs/dbraw/zinc/13/73/09/1075137309.db2.gz BYDVFFLAJSZZNK-UHFFFAOYSA-N 1 0 407.902 1.857 20 0 HDADRO COCC[NH+]1CCC(NC(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)CC1 ZINC000143657669 1075143137 /nfs/dbraw/zinc/14/31/37/1075143137.db2.gz DBRREYJAXLUMJX-HUUCEWRRSA-N 1 0 411.572 1.985 20 0 HDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CC[NH+](C)CC1 ZINC000675438415 1075146478 /nfs/dbraw/zinc/14/64/78/1075146478.db2.gz DKRZDJOWMLSTGT-YVEFUNNKSA-N 1 0 424.904 1.547 20 0 HDADRO O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000670526905 1075149340 /nfs/dbraw/zinc/14/93/40/1075149340.db2.gz JRQMONLVHKOEIM-SFHVURJKSA-N 1 0 406.571 1.271 20 0 HDADRO Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)nnc1C ZINC000467457724 1075152627 /nfs/dbraw/zinc/15/26/27/1075152627.db2.gz LIFXRPWHBMOCLF-IBGZPJMESA-N 1 0 409.538 2.555 20 0 HDADRO COc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@]3(CCOC3)C2)[NH+]2CCCCC2)cc1 ZINC000670527629 1075153652 /nfs/dbraw/zinc/15/36/52/1075153652.db2.gz PRFXZCJSLWJVKB-OFNKIYASSA-N 1 0 415.534 1.977 20 0 HDADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000675465828 1075161827 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C[NH+]1CCN(c2ccc(CNC(=O)NC[C@]3(O)CCCc4ccccc43)cn2)CC1 ZINC000731359090 1075320119 /nfs/dbraw/zinc/32/01/19/1075320119.db2.gz NMXDJSMDYVGTHA-HSZRJFAPSA-N 1 0 409.534 1.857 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1 ZINC000675996482 1075320178 /nfs/dbraw/zinc/32/01/78/1075320178.db2.gz FSPSIXZCUZPTND-WOJBJXKFSA-N 1 0 410.522 1.572 20 0 HDADRO O=C(C[N@@H+]1CCOCC2(CCC2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000546809590 1075322041 /nfs/dbraw/zinc/32/20/41/1075322041.db2.gz XMZAPRDUZJZEEW-UHFFFAOYSA-N 1 0 407.536 1.022 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1ccc(Cl)cc1 ZINC000676038516 1075337071 /nfs/dbraw/zinc/33/70/71/1075337071.db2.gz SVDBHDUQIVUIGV-SQNIBIBYSA-N 1 0 409.914 1.465 20 0 HDADRO COC(=O)[C@@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@H](C(=O)OC)C1 ZINC000509380157 1075341299 /nfs/dbraw/zinc/34/12/99/1075341299.db2.gz NEDVKJFJIIIWHM-MOPGFXCFSA-N 1 0 417.506 1.001 20 0 HDADRO CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000429392678 1075343530 /nfs/dbraw/zinc/34/35/30/1075343530.db2.gz ILQXJSUXJVLXNN-MSOLQXFVSA-N 1 0 408.930 1.837 20 0 HDADRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000804080900 1075346624 /nfs/dbraw/zinc/34/66/24/1075346624.db2.gz VHUHFTQMODPIBE-UHFFFAOYSA-N 1 0 402.539 1.616 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000676092404 1075352497 /nfs/dbraw/zinc/35/24/97/1075352497.db2.gz HCKIXYGLIBRVJK-UHFFFAOYSA-N 1 0 411.853 1.603 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000676093355 1075354415 /nfs/dbraw/zinc/35/44/15/1075354415.db2.gz HUEMHNCZTCGWSJ-UHFFFAOYSA-N 1 0 424.505 1.893 20 0 HDADRO CN(CCCOc1ccc(Cl)cc1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676093171 1075354692 /nfs/dbraw/zinc/35/46/92/1075354692.db2.gz PDUXXKVXQLFBCI-UHFFFAOYSA-N 1 0 407.902 1.964 20 0 HDADRO O=C(NCc1ccc(-n2ccnc2)c(F)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676093125 1075354827 /nfs/dbraw/zinc/35/48/27/1075354827.db2.gz SXBRHYIMJFBTRB-UHFFFAOYSA-N 1 0 405.393 1.847 20 0 HDADRO COc1ccccc1N1CC[C@H](CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000676094084 1075356510 /nfs/dbraw/zinc/35/65/10/1075356510.db2.gz RGODCIMSVYLFHQ-MRXNPFEDSA-N 1 0 420.473 1.857 20 0 HDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000519731138 1075357069 /nfs/dbraw/zinc/35/70/69/1075357069.db2.gz WALGAFZDBOUKHW-OAHLLOKOSA-N 1 0 423.464 1.870 20 0 HDADRO O=C(NCCNc1ccc2ccccc2n1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095687 1075357478 /nfs/dbraw/zinc/35/74/78/1075357478.db2.gz MLBOABZBCTZCQS-UHFFFAOYSA-N 1 0 401.430 1.982 20 0 HDADRO O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000676095119 1075357808 /nfs/dbraw/zinc/35/78/08/1075357808.db2.gz GVEMFMUFFULAFF-CYBMUJFWSA-N 1 0 422.411 1.825 20 0 HDADRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000676096927 1075358343 /nfs/dbraw/zinc/35/83/43/1075358343.db2.gz HLFNAZKAADILRX-UYAOXDASSA-N 1 0 413.522 1.976 20 0 HDADRO CN(Cc1nc(C(F)(F)F)cs1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676096567 1075358736 /nfs/dbraw/zinc/35/87/36/1075358736.db2.gz AXOKYGVXUXTHMR-UHFFFAOYSA-N 1 0 404.418 1.517 20 0 HDADRO Cc1c(C(=O)N(C)CC(=O)NCc2ccco2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000731471249 1075358938 /nfs/dbraw/zinc/35/89/38/1075358938.db2.gz PHUKLTYMGDWILS-UHFFFAOYSA-N 1 0 422.489 1.545 20 0 HDADRO COc1ccc(C(=O)NCCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000491285981 1075359176 /nfs/dbraw/zinc/35/91/76/1075359176.db2.gz VEKJMUPVOOIMGL-UHFFFAOYSA-N 1 0 400.483 1.710 20 0 HDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000676096688 1075359233 /nfs/dbraw/zinc/35/92/33/1075359233.db2.gz GTYDHUIPLGRQBI-KDOFPFPSSA-N 1 0 403.458 1.511 20 0 HDADRO C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676096171 1075360086 /nfs/dbraw/zinc/36/00/86/1075360086.db2.gz IMUCSAGPLWPKJD-INIZCTEOSA-N 1 0 405.462 1.506 20 0 HDADRO COC(=O)[C@H]1CC[N@H+](CC(=O)NCc2c(OC)cc(OC)cc2OC)[C@H]1C(C)C ZINC000429396313 1075361665 /nfs/dbraw/zinc/36/16/65/1075361665.db2.gz WCASPEVALXUCRX-YWZLYKJASA-N 1 0 408.495 1.848 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cn1 ZINC000676097522 1075361989 /nfs/dbraw/zinc/36/19/89/1075361989.db2.gz RDVXLCKEEGHOOJ-UHFFFAOYSA-N 1 0 413.457 1.067 20 0 HDADRO O[C@H](C[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)CN1CCOCC1 ZINC000429396100 1075362565 /nfs/dbraw/zinc/36/25/65/1075362565.db2.gz FAUDZIHBNGHULH-VIZSFHNOSA-N 1 0 416.493 1.860 20 0 HDADRO CNC(=O)c1ccc(C[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C2CC2)cc1 ZINC000731487677 1075367006 /nfs/dbraw/zinc/36/70/06/1075367006.db2.gz VHCUZWGXRLTDHD-FQEVSTJZSA-N 1 0 422.485 1.888 20 0 HDADRO CS(=O)(=O)NCCc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000676086931 1075369390 /nfs/dbraw/zinc/36/93/90/1075369390.db2.gz CJDAWTZCOZYHRH-VQTJNVASSA-N 1 0 423.579 1.276 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000676089026 1075371417 /nfs/dbraw/zinc/37/14/17/1075371417.db2.gz GEPGAZUCOFMVFW-ZDUSSCGKSA-N 1 0 404.430 1.968 20 0 HDADRO CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731481300 1075371493 /nfs/dbraw/zinc/37/14/93/1075371493.db2.gz SEZNLDRUOJNTNI-YJBOKZPZSA-N 1 0 412.575 1.985 20 0 HDADRO NS(=O)(=O)c1ccc(CCC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000676088351 1075371457 /nfs/dbraw/zinc/37/14/57/1075371457.db2.gz ZAVPZWKBXPKEQE-OALUTQOASA-N 1 0 409.552 1.151 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(CN3CCCCC3=O)cc2)CC1 ZINC000731481060 1075371894 /nfs/dbraw/zinc/37/18/94/1075371894.db2.gz ODDIYUSWRFVQDZ-UHFFFAOYSA-N 1 0 414.550 1.872 20 0 HDADRO O=C(NC[C@H](c1ccccc1)N1CCOCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676089427 1075372442 /nfs/dbraw/zinc/37/24/42/1075372442.db2.gz JXOKXJFBOKDKOM-HXUWFJFHSA-N 1 0 420.473 1.396 20 0 HDADRO 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HDADRO CN(Cn1nc(N2CCOCC2)n(CC(F)(F)F)c1=S)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732188905 1075654050 /nfs/dbraw/zinc/65/40/50/1075654050.db2.gz OBXOGTTXKLNRQQ-CQSZACIVSA-N 1 0 420.505 1.939 20 0 HDADRO CN(Cn1nc(CCC(N)=O)n(C[C@@H]2CCCO2)c1=S)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732190072 1075655433 /nfs/dbraw/zinc/65/54/33/1075655433.db2.gz WJDXGDNJNSHEKA-HOTGVXAUSA-N 1 0 408.572 1.137 20 0 HDADRO COc1ccccc1NC(=O)CN1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000676725998 1075661945 /nfs/dbraw/zinc/66/19/45/1075661945.db2.gz VLKFANHDNBMPAE-KRWDZBQOSA-N 1 0 417.554 1.691 20 0 HDADRO CCOCC[NH+]1CCN(Cn2nc3n(c2=S)c2ccccc2c(=O)n3C)CC1 ZINC000732180332 1075662520 /nfs/dbraw/zinc/66/25/20/1075662520.db2.gz DNDAJXSSBSDKCQ-UHFFFAOYSA-N 1 0 402.524 1.329 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000429460850 1075666975 /nfs/dbraw/zinc/66/69/75/1075666975.db2.gz DYAQWXWSOVQCDO-ZDUSSCGKSA-N 1 0 421.448 1.527 20 0 HDADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 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418.586 1.994 20 0 HDADRO CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001545676664 1075713202 /nfs/dbraw/zinc/71/32/02/1075713202.db2.gz HOKBPEJHBOLNMS-OTWHNJEPSA-N 1 0 418.586 1.994 20 0 HDADRO Cc1c(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cccc1OCC(F)(F)F ZINC000429470912 1075715959 /nfs/dbraw/zinc/71/59/59/1075715959.db2.gz GEVMLNFQSNZWRA-CYBMUJFWSA-N 1 0 416.444 1.627 20 0 HDADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000446162790 1075717587 /nfs/dbraw/zinc/71/75/87/1075717587.db2.gz UZHMKCZVJHJLNB-UHFFFAOYSA-N 1 0 404.902 1.861 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000429470358 1075718248 /nfs/dbraw/zinc/71/82/48/1075718248.db2.gz GRESNMBXZOCQCE-HNNXBMFYSA-N 1 0 414.535 1.318 20 0 HDADRO C[NH+](C)CCCN(C(=O)c1cccc(Nc2cnccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000467627563 1075720358 /nfs/dbraw/zinc/72/03/58/1075720358.db2.gz CIOYIEROMGRCOC-GOSISDBHSA-N 1 0 417.535 1.801 20 0 HDADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000497875968 1075723694 /nfs/dbraw/zinc/72/36/94/1075723694.db2.gz WPABDPFKTARROI-UHFFFAOYSA-N 1 0 410.478 1.973 20 0 HDADRO C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000591765275 1075725745 /nfs/dbraw/zinc/72/57/45/1075725745.db2.gz MGUGTTVWLNZBKS-UHFFFAOYSA-N 1 0 419.551 2.073 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)n1 ZINC000506292259 1075730962 /nfs/dbraw/zinc/73/09/62/1075730962.db2.gz LJNZXFOPMFODHK-UHFFFAOYSA-N 1 0 418.445 1.910 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2cc(Br)ccc2F)n1 ZINC000480745337 1075731562 /nfs/dbraw/zinc/73/15/62/1075731562.db2.gz VWTIPVJDWXJIJN-UHFFFAOYSA-N 1 0 412.263 1.601 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)n1 ZINC000532603936 1075732114 /nfs/dbraw/zinc/73/21/14/1075732114.db2.gz AIAVTXZETRGOOD-OAHLLOKOSA-N 1 0 418.929 1.822 20 0 HDADRO CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000467672329 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O=C(NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)c1ccc[nH]1 ZINC001079157748 1075965592 /nfs/dbraw/zinc/96/55/92/1075965592.db2.gz ZWFVBTSAOFDLQW-YSDSKTICSA-N 1 0 400.523 1.482 20 0 HDADRO CC1(C)C[C@H]1C(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079162860 1075965955 /nfs/dbraw/zinc/96/59/55/1075965955.db2.gz GBODAFOBTJZFRR-XUFBONQXSA-N 1 0 403.567 1.887 20 0 HDADRO C[C@@H]1CCO[C@@H]1C(=O)NCCCCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001079166042 1075966672 /nfs/dbraw/zinc/96/66/72/1075966672.db2.gz RRFGKUUZEJGGOT-MIDILNBFSA-N 1 0 419.566 1.266 20 0 HDADRO Cn1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]4COC[C@@H]43)CC2)cn1 ZINC001079252370 1075967293 /nfs/dbraw/zinc/96/72/93/1075967293.db2.gz ICAAENVLZWQJRQ-FYBDHJHVSA-N 1 0 412.534 1.283 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000733145645 1075976025 /nfs/dbraw/zinc/97/60/25/1075976025.db2.gz 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CC[NH+]1CCN(CCNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000733160557 1075993889 /nfs/dbraw/zinc/99/38/89/1075993889.db2.gz DUPVEUVRANBEOS-UHFFFAOYSA-N 1 0 417.579 1.962 20 0 HDADRO C[NH+](C)CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000733161597 1075994992 /nfs/dbraw/zinc/99/49/92/1075994992.db2.gz NFXLLHBMUAYNAX-OAHLLOKOSA-N 1 0 417.959 1.869 20 0 HDADRO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000733161531 1075995001 /nfs/dbraw/zinc/99/50/01/1075995001.db2.gz UEWGGMMSRPRXEF-IBGZPJMESA-N 1 0 423.579 1.731 20 0 HDADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000733162588 1075995545 /nfs/dbraw/zinc/99/55/45/1075995545.db2.gz ZVXUDRQKRNCUQC-HNNXBMFYSA-N 1 0 413.515 1.497 20 0 HDADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000733163727 1075996731 /nfs/dbraw/zinc/99/67/31/1075996731.db2.gz HQAZGRXKQHSJLB-UHFFFAOYSA-N 1 0 403.495 1.781 20 0 HDADRO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C(=O)N2CCCOCC2)ccc1Cl ZINC000511717612 1075997879 /nfs/dbraw/zinc/99/78/79/1075997879.db2.gz YXSLNUWELVYLRU-UHFFFAOYSA-N 1 0 424.929 1.599 20 0 HDADRO O=S(=O)(N1CCOCC1)N1CCC([NH2+]Cc2cscc2Br)CC1 ZINC000512051415 1076000152 /nfs/dbraw/zinc/00/01/52/1076000152.db2.gz IEPOBUNUFJFSIS-UHFFFAOYSA-N 1 0 424.386 1.642 20 0 HDADRO C[NH+](C)CCOc1cc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)ccn1 ZINC000512306288 1076000965 /nfs/dbraw/zinc/00/09/65/1076000965.db2.gz ZSTBGHLVPICCQM-UHFFFAOYSA-N 1 0 422.482 1.953 20 0 HDADRO COC[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC000733197924 1076003072 /nfs/dbraw/zinc/00/30/72/1076003072.db2.gz VQQPIOVHTQXDHQ-TXRMIHFUSA-N 1 0 421.563 1.490 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCC[N@H+](C)C3CCCC3)C2)no1 ZINC000513997531 1076014632 /nfs/dbraw/zinc/01/46/32/1076014632.db2.gz STFJPBWMXJINOG-KRWDZBQOSA-N 1 0 406.531 1.639 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCn3c(nnc3C3CCCC3)C2)CC1 ZINC000495406023 1076014792 /nfs/dbraw/zinc/01/47/92/1076014792.db2.gz DPFTYSWDRDQLBE-UHFFFAOYSA-N 1 0 417.558 1.404 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCCC3CC[NH+](CC)CC3)C2)no1 ZINC000514015992 1076015401 /nfs/dbraw/zinc/01/54/01/1076015401.db2.gz QVTFRPUJPMKPOH-SFHVURJKSA-N 1 0 420.558 1.886 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCC3([NH+](C)C)CCCC3)C2)no1 ZINC000514017430 1076015758 /nfs/dbraw/zinc/01/57/58/1076015758.db2.gz HPXWAWFSPJQXOQ-MRXNPFEDSA-N 1 0 406.531 1.639 20 0 HDADRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](N(Cc3noc(CC)n3)C(C)=O)C2)C1 ZINC000514029850 1076016942 /nfs/dbraw/zinc/01/69/42/1076016942.db2.gz XDHVKRFYCHUEOR-SJORKVTESA-N 1 0 406.531 1.496 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)C2)no1 ZINC000514031843 1076017176 /nfs/dbraw/zinc/01/71/76/1076017176.db2.gz YOYCPFOKGBUOKG-YESZJQIVSA-N 1 0 406.531 1.637 20 0 HDADRO CCOc1ccc(OCC[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H](OC)C2)cc1 ZINC001082155467 1076023620 /nfs/dbraw/zinc/02/36/20/1076023620.db2.gz CGWDQCRXTNPLKQ-SSSFQFABSA-N 1 0 404.507 1.847 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC000727029684 1076033702 /nfs/dbraw/zinc/03/37/02/1076033702.db2.gz QKGWIUAXPOVIAE-UHFFFAOYSA-N 1 0 414.528 1.491 20 0 HDADRO COc1ccc(NC(=O)[C@H](C)ONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)cc1 ZINC000733306581 1076034598 /nfs/dbraw/zinc/03/45/98/1076034598.db2.gz LFUWHQFYIWJFKR-LBPRGKRZSA-N 1 0 401.467 1.518 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)CN([C@@H](C)CS(C)(=O)=O)C3CC3)cc2)CC1 ZINC000733311719 1076036682 /nfs/dbraw/zinc/03/66/82/1076036682.db2.gz UXONERDVOMZTOQ-KRWDZBQOSA-N 1 0 422.595 1.665 20 0 HDADRO COc1cc(C[NH2+]CCc2ccc3c(c2)OCCO3)cc(OC)c1OCC(N)=O ZINC000052916355 1076038087 /nfs/dbraw/zinc/03/80/87/1076038087.db2.gz UZTUWIWZWKHDPC-UHFFFAOYSA-N 1 0 402.447 1.671 20 0 HDADRO CC(C)NS(=O)(=O)c1cccc(CNC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000727071514 1076038253 /nfs/dbraw/zinc/03/82/53/1076038253.db2.gz FLTHRDOOMVFVQQ-UHFFFAOYSA-N 1 0 400.614 1.925 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000727075706 1076038518 /nfs/dbraw/zinc/03/85/18/1076038518.db2.gz LDNHLGNNSNVNIA-UHFFFAOYSA-N 1 0 410.559 1.811 20 0 HDADRO NC(=O)CNC(=S)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000727074945 1076038602 /nfs/dbraw/zinc/03/86/02/1076038602.db2.gz DUHODROMEQIERI-UHFFFAOYSA-N 1 0 403.474 1.167 20 0 HDADRO O=C1C[C@H](c2ccccn2)CN1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000733295714 1076041793 /nfs/dbraw/zinc/04/17/93/1076041793.db2.gz RGXYOBNEFZVHAJ-INIZCTEOSA-N 1 0 400.445 1.942 20 0 HDADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2cnc(N3CCCC3)nc2)CC1 ZINC000733330968 1076045324 /nfs/dbraw/zinc/04/53/24/1076045324.db2.gz VJWVUPSVWPDANX-UHFFFAOYSA-N 1 0 418.542 1.684 20 0 HDADRO O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733332857 1076045609 /nfs/dbraw/zinc/04/56/09/1076045609.db2.gz DRMCKPIXZUPELV-GOSISDBHSA-N 1 0 415.494 1.503 20 0 HDADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000727111198 1076047616 /nfs/dbraw/zinc/04/76/16/1076047616.db2.gz ZOPOUEVCKJLBMU-AWEZNQCLSA-N 1 0 401.916 1.832 20 0 HDADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000727147246 1076053177 /nfs/dbraw/zinc/05/31/77/1076053177.db2.gz GBWSGSMTWZEPBZ-KRWDZBQOSA-N 1 0 405.543 1.999 20 0 HDADRO COc1cc(C)c(CN2CCN(C(=O)C[NH+]3CCC(OC)CC3)CC2)cc1OC ZINC000053907033 1076059732 /nfs/dbraw/zinc/05/97/32/1076059732.db2.gz FOPPDQKOIQDXJN-UHFFFAOYSA-N 1 0 405.539 1.767 20 0 HDADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC001082652179 1076061745 /nfs/dbraw/zinc/06/17/45/1076061745.db2.gz JIVJHWUTOLOWSF-LKOUITPSSA-N 1 0 415.559 1.493 20 0 HDADRO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1cc(-c2ccco2)on1 ZINC001082658104 1076062007 /nfs/dbraw/zinc/06/20/07/1076062007.db2.gz MKMRCFYXHVYECJ-ARALAYPOSA-N 1 0 401.463 1.923 20 0 HDADRO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CN2CC[C@@H]([NH+]3CCCC3)C2)c1=O ZINC000727168735 1076067935 /nfs/dbraw/zinc/06/79/35/1076067935.db2.gz BIJSUUHDQZRPMD-MRXNPFEDSA-N 1 0 421.567 1.201 20 0 HDADRO COC(=O)NC(C)(C)C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733488653 1076083442 /nfs/dbraw/zinc/08/34/42/1076083442.db2.gz AHPHHDHCIYJHFE-UHFFFAOYSA-N 1 0 409.508 1.852 20 0 HDADRO C[C@@H](OC(=O)CN(C)C(=O)C1CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000733513787 1076088068 /nfs/dbraw/zinc/08/80/68/1076088068.db2.gz JMGWUSNSIPWVAJ-MRXNPFEDSA-N 1 0 401.507 1.567 20 0 HDADRO C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1=O ZINC000727268181 1076090353 /nfs/dbraw/zinc/09/03/53/1076090353.db2.gz JSLPDNQUKAPHDA-SFHVURJKSA-N 1 0 410.927 1.912 20 0 HDADRO CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 ZINC000727323746 1076093210 /nfs/dbraw/zinc/09/32/10/1076093210.db2.gz YUBUDILRYXARDQ-INIZCTEOSA-N 1 0 416.522 1.618 20 0 HDADRO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000727323695 1076093298 /nfs/dbraw/zinc/09/32/98/1076093298.db2.gz WLRJAUKSHWUDRA-YOEHRIQHSA-N 1 0 403.479 1.750 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)COC[C@@H]3CCCO3)cc2)CC1 ZINC000733590819 1076119162 /nfs/dbraw/zinc/11/91/62/1076119162.db2.gz ANIRJJFWHVNWDE-IBGZPJMESA-N 1 0 405.495 1.506 20 0 HDADRO COC(=O)N1CCC[C@@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000727479368 1076130387 /nfs/dbraw/zinc/13/03/87/1076130387.db2.gz GNWGLORINIKLHH-QGZVFWFLSA-N 1 0 405.499 1.008 20 0 HDADRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000727470455 1076137009 /nfs/dbraw/zinc/13/70/09/1076137009.db2.gz DUUUZALIAKYXET-KRWDZBQOSA-N 1 0 418.542 1.504 20 0 HDADRO O=C(COC(=O)CNC(=O)NCc1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000727544968 1076162597 /nfs/dbraw/zinc/16/25/97/1076162597.db2.gz XMAUAOSJCRQREI-UHFFFAOYSA-N 1 0 422.913 1.425 20 0 HDADRO C[C@H](CNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)[NH+]1CCCCC1 ZINC000727614930 1076184185 /nfs/dbraw/zinc/18/41/85/1076184185.db2.gz DRSGFMKGMVXDFS-LLVKDONJSA-N 1 0 403.451 1.297 20 0 HDADRO C[NH+](C)CCOc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)ccn1 ZINC000527367117 1076199879 /nfs/dbraw/zinc/19/98/79/1076199879.db2.gz CVVGLELYSUTABH-SFHVURJKSA-N 1 0 402.882 1.989 20 0 HDADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2=O)cc1 ZINC000733769822 1076201275 /nfs/dbraw/zinc/20/12/75/1076201275.db2.gz RFUVCCYEXHNAEQ-NRFANRHFSA-N 1 0 404.430 1.981 20 0 HDADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000733781493 1076204465 /nfs/dbraw/zinc/20/44/65/1076204465.db2.gz ZLTOMCSTOAYUJC-SJORKVTESA-N 1 0 406.552 1.597 20 0 HDADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@@H]3C3CCC3)C2=O)c1 ZINC000733794492 1076204688 /nfs/dbraw/zinc/20/46/88/1076204688.db2.gz KURNLALLVAYNRF-UTKZUKDTSA-N 1 0 400.479 1.758 20 0 HDADRO C[NH+]1CCN(C[C@@H](NC(=O)c2cc(S(C)(=O)=O)ccc2F)c2ccccc2)CC1 ZINC000727714725 1076208679 /nfs/dbraw/zinc/20/86/79/1076208679.db2.gz DGAIJRONOHTFGZ-HXUWFJFHSA-N 1 0 419.522 1.948 20 0 HDADRO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000733809419 1076211092 /nfs/dbraw/zinc/21/10/92/1076211092.db2.gz NXYPRMYMCJWFRD-GOSISDBHSA-N 1 0 402.495 1.411 20 0 HDADRO C[NH+](C)C1(CNC(=O)c2cc(S(C)(=O)=O)ccc2Br)CCOCC1 ZINC000733809214 1076211164 /nfs/dbraw/zinc/21/11/64/1076211164.db2.gz CDYZVOBECXNHEG-UHFFFAOYSA-N 1 0 419.341 1.693 20 0 HDADRO C[NH+]1CCN(C[C@H](NC(=O)c2ccc(N3CCOCC3)nc2)c2ccccc2)CC1 ZINC000727740182 1076215741 /nfs/dbraw/zinc/21/57/41/1076215741.db2.gz JVQQBOBJSUWGAP-NRFANRHFSA-N 1 0 409.534 1.637 20 0 HDADRO CCOC(=O)N[C@H](CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)CC(C)C ZINC000733850902 1076227781 /nfs/dbraw/zinc/22/77/81/1076227781.db2.gz TWYLZYGCXLJPQT-AWEZNQCLSA-N 1 0 402.455 1.483 20 0 HDADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccccc1 ZINC000727754054 1076228100 /nfs/dbraw/zinc/22/81/00/1076228100.db2.gz CCACREYLLIQLNW-MJGOQNOKSA-N 1 0 402.520 1.916 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000727754281 1076228110 /nfs/dbraw/zinc/22/81/10/1076228110.db2.gz KCCIDIMHZZBMNA-GOSISDBHSA-N 1 0 401.492 1.107 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(OCc3cccnc3)cc2)CCOCC1 ZINC000733852423 1076228163 /nfs/dbraw/zinc/22/81/63/1076228163.db2.gz CEICCFQOLNXTSE-UHFFFAOYSA-N 1 0 412.490 1.826 20 0 HDADRO CC(C)[NH+](CCN(C(=S)NC1CCOCC1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000727782640 1076234187 /nfs/dbraw/zinc/23/41/87/1076234187.db2.gz BFLZXFLJHWCVRV-KRWDZBQOSA-N 1 0 405.630 1.648 20 0 HDADRO Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1ccc3oc(=O)n(CC[NH+](C)C)c3c1)CO2 ZINC000531922736 1076237830 /nfs/dbraw/zinc/23/78/30/1076237830.db2.gz LXXXBKIBTBDUEO-INIZCTEOSA-N 1 0 424.457 1.653 20 0 HDADRO C[N@@H+]1CCCN(CCCNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1 ZINC000733885505 1076239836 /nfs/dbraw/zinc/23/98/36/1076239836.db2.gz HBPMXKRLGQEJOX-UHFFFAOYSA-N 1 0 403.502 1.448 20 0 HDADRO CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c(F)c1 ZINC000733886466 1076240259 /nfs/dbraw/zinc/24/02/59/1076240259.db2.gz DHVRWESFUZAQDN-KRWDZBQOSA-N 1 0 404.486 1.087 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C2)no1 ZINC000533584712 1076243646 /nfs/dbraw/zinc/24/36/46/1076243646.db2.gz QRIBOGPEWNBNCB-MSOLQXFVSA-N 1 0 419.526 1.225 20 0 HDADRO CCOC(=O)c1sc2nc(CN(C)C)nc(N3CCC([NH3+])(CO)CC3)c2c1C ZINC000733895721 1076255904 /nfs/dbraw/zinc/25/59/04/1076255904.db2.gz JFCSVRVGNCQGRI-UHFFFAOYSA-N 1 0 407.540 1.528 20 0 HDADRO CNC(=O)C1([NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CCCC1 ZINC000733896378 1076256506 /nfs/dbraw/zinc/25/65/06/1076256506.db2.gz YPYBMVZXEONNFN-UHFFFAOYSA-N 1 0 410.400 1.873 20 0 HDADRO COc1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000536679772 1076256973 /nfs/dbraw/zinc/25/69/73/1076256973.db2.gz MRTRJTWOSJICBF-UHFFFAOYSA-N 1 0 417.506 1.035 20 0 HDADRO CC(C)[NH+]1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)CC1 ZINC000733903089 1076261594 /nfs/dbraw/zinc/26/15/94/1076261594.db2.gz HCXZHSKTDZQTKJ-HSZRJFAPSA-N 1 0 412.534 1.931 20 0 HDADRO O=C(CN1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000727833448 1076264528 /nfs/dbraw/zinc/26/45/28/1076264528.db2.gz URLIYWPPCAPWLO-UHFFFAOYSA-N 1 0 402.539 1.506 20 0 HDADRO C[NH+]1CCN(C[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)c2ccccc2)CC1 ZINC000727836560 1076265538 /nfs/dbraw/zinc/26/55/38/1076265538.db2.gz SBDLTBSZCZDDMF-FQEVSTJZSA-N 1 0 415.515 1.624 20 0 HDADRO C[NH+]1CCN(C[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2)CC1 ZINC000727835972 1076265813 /nfs/dbraw/zinc/26/58/13/1076265813.db2.gz DYIWSLCIHWKQMT-LJQANCHMSA-N 1 0 415.519 1.536 20 0 HDADRO COCC[N@@H+]1CCC[C@@H]1CNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000727838894 1076266540 /nfs/dbraw/zinc/26/65/40/1076266540.db2.gz SWEBZOZZKMMRIK-HUUCEWRRSA-N 1 0 404.964 1.405 20 0 HDADRO Cn1c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc(=O)n(C)c1=O ZINC001085204715 1076273903 /nfs/dbraw/zinc/27/39/03/1076273903.db2.gz GENZWYWTCXSDTN-CSFFLVESSA-N 1 0 400.523 1.203 20 0 HDADRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)C1 ZINC000733980199 1076281534 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ZINC001164424321 718919733 /nfs/dbraw/zinc/91/97/33/718919733.db2.gz MXXVNQNHXRPBKT-OAHLLOKOSA-N 1 0 419.885 1.956 20 0 HDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(C(=O)OC)nc1Cl ZINC001164618890 719014213 /nfs/dbraw/zinc/01/42/13/719014213.db2.gz UMKSUQGSONICLG-XDTLVQLUSA-N 1 0 403.813 1.796 20 0 HDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc(C(=O)OC)cc(Cl)n1 ZINC001164617753 719015324 /nfs/dbraw/zinc/01/53/24/719015324.db2.gz OYRBRGLPMBGQRP-SDDRHHMPSA-N 1 0 403.813 1.796 20 0 HDADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc(C(=O)OC)cnc1Cl ZINC001164620978 719016783 /nfs/dbraw/zinc/01/67/83/719016783.db2.gz ZYHWGCSNJIAVEK-ICCXJUOJSA-N 1 0 403.813 1.796 20 0 HDADRO CCNS(=O)(=O)c1cccnc1N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164616950 719028934 /nfs/dbraw/zinc/02/89/34/719028934.db2.gz FRXIXIDMRSHJSJ-UHFFFAOYSA-N 1 0 424.567 1.624 20 0 HDADRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(Cl)nc2c1CN(Cc1ccccc1)CC2 ZINC001164624098 719131865 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ZINC001164889950 721380840 /nfs/dbraw/zinc/38/08/40/721380840.db2.gz NBBASZFOHYBDKZ-JXFKEZNVSA-N 1 0 408.978 1.961 20 0 HDADRO COC(=O)c1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1OC ZINC001164890964 721388619 /nfs/dbraw/zinc/38/86/19/721388619.db2.gz PPWBPSJBPIWIPI-VGOFRKELSA-N 1 0 418.538 1.642 20 0 HDADRO COC(=O)c1ccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1OC ZINC001164884377 721388696 /nfs/dbraw/zinc/38/86/96/721388696.db2.gz AMWUTOJWSQULQO-HTAPYJJXSA-N 1 0 418.538 1.642 20 0 HDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4COC5)C3)O2)CC1 ZINC001164889809 721398057 /nfs/dbraw/zinc/39/80/57/721398057.db2.gz MKGXBHIPPPIBMJ-YWZLYKJASA-N 1 0 407.946 1.926 20 0 HDADRO COC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1C ZINC001164887665 721404987 /nfs/dbraw/zinc/40/49/87/721404987.db2.gz LZMNFCPDZYAXPN-AVRDEDQJSA-N 1 0 402.539 1.942 20 0 HDADRO COc1cc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc(SC)n1 ZINC001164889955 721411079 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COc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1-n1nnnc1C ZINC000429069789 1073511600 /nfs/dbraw/zinc/51/16/00/1073511600.db2.gz KQGZXQOAAFUXIK-HNNXBMFYSA-N 1 0 401.471 1.165 20 0 HDADRO C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1=O ZINC000673646006 1073511621 /nfs/dbraw/zinc/51/16/21/1073511621.db2.gz RUZGJHQZZLEIIE-WOPDTQHZSA-N 1 0 403.367 1.986 20 0 HDADRO Cc1nnc(COCC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000509097323 1073521127 /nfs/dbraw/zinc/52/11/27/1073521127.db2.gz JHXUJHGBUMGIMP-HNNXBMFYSA-N 1 0 403.508 1.699 20 0 HDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000429079793 1073524564 /nfs/dbraw/zinc/52/45/64/1073524564.db2.gz BGWJJHNQQULIIM-GVDBMIGSSA-N 1 0 400.531 1.513 20 0 HDADRO O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1CCCN1Cc1ccccn1 ZINC000673647008 1073528159 /nfs/dbraw/zinc/52/81/59/1073528159.db2.gz CMKKJDSNZLJVOI-HXUWFJFHSA-N 1 0 414.531 1.920 20 0 HDADRO COC(=O)Cn1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000429084839 1073531732 /nfs/dbraw/zinc/53/17/32/1073531732.db2.gz XMWDEPHBNVXANC-YJBOKZPZSA-N 1 0 400.483 1.161 20 0 HDADRO CN1CCN(C(=O)c2ccc(NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000673646815 1073532449 /nfs/dbraw/zinc/53/24/49/1073532449.db2.gz LAHFVJILWCAJHP-XMMPIXPASA-N 1 0 422.529 1.650 20 0 HDADRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000429088553 1073539240 /nfs/dbraw/zinc/53/92/40/1073539240.db2.gz SYZZCFCAHDDRGY-ZWKOTPCHSA-N 1 0 414.558 1.618 20 0 HDADRO O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000625188596 1073553165 /nfs/dbraw/zinc/55/31/65/1073553165.db2.gz JVTQPMBTGMQPOS-GOSISDBHSA-N 1 0 400.479 1.065 20 0 HDADRO C[NH+](C)CCOc1ccc(CCNC(=O)NCCC2CCS(=O)(=O)CC2)cc1 ZINC000509115693 1073574828 /nfs/dbraw/zinc/57/48/28/1073574828.db2.gz ZOYPFNMYDXGLBL-UHFFFAOYSA-N 1 0 411.568 1.684 20 0 HDADRO O=C(NCc1cccc(C(=O)N2CCOCC2)c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000429104102 1073588997 /nfs/dbraw/zinc/58/89/97/1073588997.db2.gz PCJKRGDIMKVZGB-HXUWFJFHSA-N 1 0 400.523 1.975 20 0 HDADRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000429105793 1073591230 /nfs/dbraw/zinc/59/12/30/1073591230.db2.gz VVLIBYUUVSVMGN-QUCCMNQESA-N 1 0 400.571 1.908 20 0 HDADRO CC(C)[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1nncn1C ZINC000509122355 1073597689 /nfs/dbraw/zinc/59/76/89/1073597689.db2.gz JOQYIGWDLKFKNZ-ROUUACIJSA-N 1 0 415.542 1.101 20 0 HDADRO CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000673665116 1073618900 /nfs/dbraw/zinc/61/89/00/1073618900.db2.gz CFGXUMRYBMBPTG-UXHICEINSA-N 1 0 406.571 1.426 20 0 HDADRO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000673707348 1073646379 /nfs/dbraw/zinc/64/63/79/1073646379.db2.gz UUVNNYPIEIJUTG-BDTNDASRSA-N 1 0 416.566 1.921 20 0 HDADRO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000673716691 1073648625 /nfs/dbraw/zinc/64/86/25/1073648625.db2.gz YVJHCMCFSKNYOR-VQIMIIECSA-N 1 0 416.547 1.867 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000673715622 1073653639 /nfs/dbraw/zinc/65/36/39/1073653639.db2.gz HSGXVTYDDFMEEQ-GOSISDBHSA-N 1 0 402.520 1.479 20 0 HDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000429117888 1073671767 /nfs/dbraw/zinc/67/17/67/1073671767.db2.gz WABYNNNOZMSZOH-INIZCTEOSA-N 1 0 405.543 1.792 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000673749645 1073684394 /nfs/dbraw/zinc/68/43/94/1073684394.db2.gz DWFCNCAVUUHJQZ-GOSISDBHSA-N 1 0 416.547 1.873 20 0 HDADRO CC[N@@H+](CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C[C@@H]1CCOC1 ZINC000673755097 1073690191 /nfs/dbraw/zinc/69/01/91/1073690191.db2.gz RXQXOQSJUBMFES-FQEVSTJZSA-N 1 0 416.566 1.745 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000673757754 1073692892 /nfs/dbraw/zinc/69/28/92/1073692892.db2.gz MOJCFXBOVRKOEC-SFHVURJKSA-N 1 0 424.549 1.420 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000673757753 1073692942 /nfs/dbraw/zinc/69/29/42/1073692942.db2.gz MOJCFXBOVRKOEC-GOSISDBHSA-N 1 0 424.549 1.420 20 0 HDADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000673750729 1073694129 /nfs/dbraw/zinc/69/41/29/1073694129.db2.gz FEBWKSBYQUBXPJ-XLIONFOSSA-N 1 0 400.523 1.237 20 0 HDADRO Cc1cn(-c2ccccc2)nc1NC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000673762649 1073701273 /nfs/dbraw/zinc/70/12/73/1073701273.db2.gz UVINLGYSEWBQFV-UHFFFAOYSA-N 1 0 410.482 1.699 20 0 HDADRO Cc1c(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnn1Cc1ccncc1 ZINC000509139434 1073707563 /nfs/dbraw/zinc/70/75/63/1073707563.db2.gz NUUGEUDMESVBSH-CALCHBBNSA-N 1 0 412.538 1.991 20 0 HDADRO CC[C@H]1COCCN1C(=O)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000673782723 1073720991 /nfs/dbraw/zinc/72/09/91/1073720991.db2.gz WQWCZJAOWRALMJ-FQEVSTJZSA-N 1 0 417.550 1.811 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(C)=O)cc2)C1 ZINC000673789782 1073736509 /nfs/dbraw/zinc/73/65/09/1073736509.db2.gz ODVVENUQSBONIT-LJQANCHMSA-N 1 0 404.511 1.567 20 0 HDADRO CCS(=O)(=O)N1CC(CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000429133031 1073736515 /nfs/dbraw/zinc/73/65/15/1073736515.db2.gz GNXRFKVYOHQLRD-OAHLLOKOSA-N 1 0 414.597 1.541 20 0 HDADRO C[C@@H]1CN(C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000509149959 1073745515 /nfs/dbraw/zinc/74/55/15/1073745515.db2.gz FAJXJGLLCIVFCV-GIVPXCGWSA-N 1 0 416.566 1.101 20 0 HDADRO CC[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000509151817 1073755859 /nfs/dbraw/zinc/75/58/59/1073755859.db2.gz IJQYLKADQMLRSZ-HNNXBMFYSA-N 1 0 409.328 1.629 20 0 HDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429143473 1073771760 /nfs/dbraw/zinc/77/17/60/1073771760.db2.gz PTYVMCQJWICLHR-UHFFFAOYSA-N 1 0 416.975 1.522 20 0 HDADRO O=C(CCNS(=O)(=O)c1ccccc1F)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001168743678 1073790204 /nfs/dbraw/zinc/79/02/04/1073790204.db2.gz PXCHIMQHZVSFJU-QGZVFWFLSA-N 1 0 423.485 1.676 20 0 HDADRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000216380209 1073793008 /nfs/dbraw/zinc/79/30/08/1073793008.db2.gz WRXUQGLEHNPQMD-YOEHRIQHSA-N 1 0 402.520 1.837 20 0 HDADRO Cn1cc(-c2ncccc2NC(=O)C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000466540859 1073796282 /nfs/dbraw/zinc/79/62/82/1073796282.db2.gz HNOFVQUIQPQVAU-GOSISDBHSA-N 1 0 406.490 1.710 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000673839855 1073804639 /nfs/dbraw/zinc/80/46/39/1073804639.db2.gz HDODZXYCFAVNQN-LEWJYISDSA-N 1 0 404.530 1.313 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000673839900 1073805126 /nfs/dbraw/zinc/80/51/26/1073805126.db2.gz IENDJQSAOGFNBO-VXKWHMMOSA-N 1 0 418.557 1.703 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000673839898 1073805504 /nfs/dbraw/zinc/80/55/04/1073805504.db2.gz IENDJQSAOGFNBO-FCHUYYIVSA-N 1 0 418.557 1.703 20 0 HDADRO C[N@H+](CCN1CCN(C(=O)[C@@H]2CCCN2c2ncccn2)CC1)Cc1ccccc1 ZINC000673835977 1073811594 /nfs/dbraw/zinc/81/15/94/1073811594.db2.gz OCZQZJJFADBUJH-NRFANRHFSA-N 1 0 408.550 1.722 20 0 HDADRO Cc1cc(Br)cn2cc(CNC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)nc12 ZINC000673848349 1073814354 /nfs/dbraw/zinc/81/43/54/1073814354.db2.gz XIZMOCPVBWYWDC-ZDUSSCGKSA-N 1 0 408.300 1.232 20 0 HDADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2CCCN2c2ncccn2)CC1 ZINC000673842243 1073818325 /nfs/dbraw/zinc/81/83/25/1073818325.db2.gz SNWIDDUVXTYBLZ-HXUWFJFHSA-N 1 0 424.549 1.735 20 0 HDADRO O=C(Cn1cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1)NC1CCCC1 ZINC000673860428 1073827646 /nfs/dbraw/zinc/82/76/46/1073827646.db2.gz ZCMZUVHGZALEOS-QZTJIDSGSA-N 1 0 404.515 1.005 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cn1 ZINC000673865764 1073831876 /nfs/dbraw/zinc/83/18/76/1073831876.db2.gz OOFCQHCXQAAMFU-UHFFFAOYSA-N 1 0 404.902 1.974 20 0 HDADRO Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000673868953 1073834432 /nfs/dbraw/zinc/83/44/32/1073834432.db2.gz HMZRSTCNYZWKAH-HXUWFJFHSA-N 1 0 400.527 1.948 20 0 HDADRO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)C1 ZINC000673868944 1073834449 /nfs/dbraw/zinc/83/44/49/1073834449.db2.gz JVEXQYWINHVUAY-QZTJIDSGSA-N 1 0 419.574 1.099 20 0 HDADRO COc1cc(CN2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)cc(OC)c1 ZINC000673870102 1073835653 /nfs/dbraw/zinc/83/56/53/1073835653.db2.gz VAZHIFWOKRQLSM-UHFFFAOYSA-N 1 0 416.526 1.812 20 0 HDADRO Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)cc1NC(=O)CC[NH+](C)C ZINC000466544127 1073836262 /nfs/dbraw/zinc/83/62/62/1073836262.db2.gz WARIPKGNBXEOCN-UHFFFAOYSA-N 1 0 423.473 1.939 20 0 HDADRO CCOc1ccccc1C(=O)N1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673870869 1073836400 /nfs/dbraw/zinc/83/64/00/1073836400.db2.gz DMBXQPHMAYTHSC-UHFFFAOYSA-N 1 0 414.510 1.833 20 0 HDADRO CC(C)N(C)C(=O)C1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000673872836 1073840541 /nfs/dbraw/zinc/84/05/41/1073840541.db2.gz MUXNRXAGTVYBOE-UHFFFAOYSA-N 1 0 403.527 1.958 20 0 HDADRO CC[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000543495939 1073841159 /nfs/dbraw/zinc/84/11/59/1073841159.db2.gz JOAOYDBMXNKEGF-RBUKOAKNSA-N 1 0 409.552 1.208 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cn1 ZINC000673866174 1073843924 /nfs/dbraw/zinc/84/39/24/1073843924.db2.gz VJDTWMXMZSKHMI-UHFFFAOYSA-N 1 0 424.509 1.443 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cn1 ZINC000673867637 1073844384 /nfs/dbraw/zinc/84/43/84/1073844384.db2.gz PXKYSJWDYXHKHB-IBGZPJMESA-N 1 0 414.510 1.675 20 0 HDADRO C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000673868612 1073846240 /nfs/dbraw/zinc/84/62/40/1073846240.db2.gz BVAMUDZYGNLHMD-XLIONFOSSA-N 1 0 400.527 1.856 20 0 HDADRO Cc1ccc(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(OC[C@H]2CCCO2)c1 ZINC000466548074 1073851500 /nfs/dbraw/zinc/85/15/00/1073851500.db2.gz KYWCQJAGRDGIOS-UYAOXDASSA-N 1 0 404.555 1.988 20 0 HDADRO C[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000543496527 1073857289 /nfs/dbraw/zinc/85/72/89/1073857289.db2.gz RFFRSPMMVASALU-GHMZBOCLSA-N 1 0 412.412 1.650 20 0 HDADRO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000673907130 1073873917 /nfs/dbraw/zinc/87/39/17/1073873917.db2.gz WPQNLXPZEHFOPM-GOSISDBHSA-N 1 0 416.566 1.962 20 0 HDADRO O=C(NC[C@H]1CS(=O)(=O)CCO1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000509166567 1073878376 /nfs/dbraw/zinc/87/83/76/1073878376.db2.gz LXJDNQBNMTYKIB-IPQPSQTFSA-N 1 0 407.536 1.295 20 0 HDADRO COc1ccccc1C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(C)C ZINC000673912484 1073884947 /nfs/dbraw/zinc/88/49/47/1073884947.db2.gz JOEKYEMXSADAON-LEWJYISDSA-N 1 0 418.582 1.968 20 0 HDADRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)[C@H]1CCCOC1 ZINC000543507167 1073900210 /nfs/dbraw/zinc/90/02/10/1073900210.db2.gz NZPKMQRMSHSWET-MJGOQNOKSA-N 1 0 423.579 1.882 20 0 HDADRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cn2)CC1 ZINC000014520869 1073901895 /nfs/dbraw/zinc/90/18/95/1073901895.db2.gz FLDQYXCRNAMDMV-UHFFFAOYSA-N 1 0 415.519 1.408 20 0 HDADRO C[C@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543506413 1073904135 /nfs/dbraw/zinc/90/41/35/1073904135.db2.gz RHEJKKBJCROUGZ-GJZGRUSLSA-N 1 0 421.523 1.119 20 0 HDADRO COC(=O)c1cccc(CCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000509172374 1073909518 /nfs/dbraw/zinc/90/95/18/1073909518.db2.gz VSKKLQMJRLGETB-UHFFFAOYSA-N 1 0 404.511 1.258 20 0 HDADRO CC(C)N(CCCNC(=O)C[NH2+][C@H](C)[C@H]1OCCc2sccc21)S(C)(=O)=O ZINC000429168295 1073914430 /nfs/dbraw/zinc/91/44/30/1073914430.db2.gz OOVJYBXNBRLJRR-RDTXWAMCSA-N 1 0 417.597 1.516 20 0 HDADRO C[C@@H]([NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)[C@H]1OCCc2sccc21 ZINC000429176418 1073951593 /nfs/dbraw/zinc/95/15/93/1073951593.db2.gz XKFFTFNUTVBDAR-CWTRNNRKSA-N 1 0 421.544 1.577 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000429177645 1073954444 /nfs/dbraw/zinc/95/44/44/1073954444.db2.gz CAMAGTRCLGUKPX-KRWDZBQOSA-N 1 0 403.593 1.116 20 0 HDADRO O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCC[C@H](O)C1 ZINC000670440081 1073958659 /nfs/dbraw/zinc/95/86/59/1073958659.db2.gz NQUUYWUCVZOBAI-IBGZPJMESA-N 1 0 403.523 1.157 20 0 HDADRO C[NH+]1CCC(OCC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC001128572277 1073962341 /nfs/dbraw/zinc/96/23/41/1073962341.db2.gz VHJGKZNIBFPIDT-MRXNPFEDSA-N 1 0 410.312 1.781 20 0 HDADRO COCCCOc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000509183663 1073969193 /nfs/dbraw/zinc/96/91/93/1073969193.db2.gz KGSRJWMADFUZGE-FQEVSTJZSA-N 1 0 418.538 1.550 20 0 HDADRO CN1CCN([C@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccccc2)CC1 ZINC000670443959 1073990145 /nfs/dbraw/zinc/99/01/45/1073990145.db2.gz YJCJXTPOICXKBO-YADHBBJMSA-N 1 0 400.567 1.688 20 0 HDADRO C[C@]1(c2ccc(C(=O)N3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2)NC(=O)NC1=O ZINC000670444136 1073990693 /nfs/dbraw/zinc/99/06/93/1073990693.db2.gz NYNVJBKXAGVECN-DYESRHJHSA-N 1 0 400.479 1.068 20 0 HDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543524432 1073998403 /nfs/dbraw/zinc/99/84/03/1073998403.db2.gz OEXZFRFIWLTJGC-OAHLLOKOSA-N 1 0 422.551 1.328 20 0 HDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543524431 1073998429 /nfs/dbraw/zinc/99/84/29/1073998429.db2.gz OEXZFRFIWLTJGC-HNNXBMFYSA-N 1 0 422.551 1.328 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)Nc3ccc(F)c(F)c3F)CC2)CC1 ZINC000543522870 1074002986 /nfs/dbraw/zinc/00/29/86/1074002986.db2.gz BMAOJZMNCMLUTJ-UHFFFAOYSA-N 1 0 412.456 1.919 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000509189616 1074004941 /nfs/dbraw/zinc/00/49/41/1074004941.db2.gz GELCKTJITVXPDU-KBXCAEBGSA-N 1 0 415.581 1.478 20 0 HDADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000673997519 1074024720 /nfs/dbraw/zinc/02/47/20/1074024720.db2.gz UQJQJLLFEBBHQS-HXUWFJFHSA-N 1 0 423.579 1.598 20 0 HDADRO CNC(=O)N[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000466594052 1074048918 /nfs/dbraw/zinc/04/89/18/1074048918.db2.gz WPNLUMKVDHYFCM-MOPGFXCFSA-N 1 0 402.543 1.078 20 0 HDADRO CCOC(=O)[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCO1 ZINC001649123323 1074053737 /nfs/dbraw/zinc/05/37/37/1074053737.db2.gz VHTHEPKEABXXLI-WFXMLNOXSA-N 1 0 406.527 1.415 20 0 HDADRO COC(=O)c1c(C)cccc1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000506769357 1074064302 /nfs/dbraw/zinc/06/43/02/1074064302.db2.gz XNHKPVUEKWWPCC-INIZCTEOSA-N 1 0 403.479 1.291 20 0 HDADRO C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000466601663 1074065755 /nfs/dbraw/zinc/06/57/55/1074065755.db2.gz OHLUHUCWWDVJBT-HLAWJBBLSA-N 1 0 414.550 1.632 20 0 HDADRO CCc1ccc([C@H](CNC(=O)NCCNS(=O)(=O)Cc2ccon2)[NH+](C)C)cc1 ZINC000429199427 1074068286 /nfs/dbraw/zinc/06/82/86/1074068286.db2.gz BPVHSICRLOMOPD-SFHVURJKSA-N 1 0 423.539 1.259 20 0 HDADRO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)C[C@@H](C)O1 ZINC000229047610 1074073436 /nfs/dbraw/zinc/07/34/36/1074073436.db2.gz OTUMIYPUASOYIG-ZHALLVOQSA-N 1 0 421.563 1.795 20 0 HDADRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1 ZINC000466607258 1074083730 /nfs/dbraw/zinc/08/37/30/1074083730.db2.gz LYMPNQWAOADWKS-LJQANCHMSA-N 1 0 409.490 1.863 20 0 HDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 ZINC000674025772 1074085485 /nfs/dbraw/zinc/08/54/85/1074085485.db2.gz PPRRDBIIZSHCNM-KRWDZBQOSA-N 1 0 404.511 1.919 20 0 HDADRO CCN(CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC ZINC000674025809 1074085554 /nfs/dbraw/zinc/08/55/54/1074085554.db2.gz XYKSMPLCHFCLEW-INIZCTEOSA-N 1 0 418.581 1.523 20 0 HDADRO CC(C)(CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)S(C)(=O)=O ZINC000674030258 1074089546 /nfs/dbraw/zinc/08/95/46/1074089546.db2.gz ZLAJBPBSBBRCBZ-UHFFFAOYSA-N 1 0 410.584 1.711 20 0 HDADRO Cn1c2ncn(CC[N@H+](C)[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)c2c(=O)n(C)c1=O ZINC000543560517 1074107954 /nfs/dbraw/zinc/10/79/54/1074107954.db2.gz GHYZMIJZWMFDKG-DLBZAZTESA-N 1 0 415.469 1.425 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000509206411 1074110861 /nfs/dbraw/zinc/11/08/61/1074110861.db2.gz XTRFFLRYYUIJDW-UHFFFAOYSA-N 1 0 405.586 1.678 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000509208054 1074112352 /nfs/dbraw/zinc/11/23/52/1074112352.db2.gz CXVZAAGJLKDPJV-UHFFFAOYSA-N 1 0 419.526 1.172 20 0 HDADRO COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000466617842 1074126713 /nfs/dbraw/zinc/12/67/13/1074126713.db2.gz JUXYQRYRQMGFOO-QRQLOZEOSA-N 1 0 412.538 1.949 20 0 HDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@](C)(O)CSc1cccc(F)c1 ZINC000509210755 1074133618 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HDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@@H](n4ccnc4)C3)cc2)CC1 ZINC000674202065 1074216540 /nfs/dbraw/zinc/21/65/40/1074216540.db2.gz LBNUAYYTZRTLQF-OAQYLSRUSA-N 1 0 424.549 1.823 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000674227573 1074234694 /nfs/dbraw/zinc/23/46/94/1074234694.db2.gz XNOUTQHBJRLDRD-IERDGZPVSA-N 1 0 420.513 1.938 20 0 HDADRO Cc1nn(C)c(=O)c(-c2nc(CN3CCN([C@H]4CCC[N@H+](C)C4)CC3)cs2)c1C ZINC000674251251 1074243151 /nfs/dbraw/zinc/24/31/51/1074243151.db2.gz OXAHVPPAJLRMNP-SFHVURJKSA-N 1 0 416.595 1.732 20 0 HDADRO CC[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc(COC3CCOCC3)cc2)CC1 ZINC000674260906 1074243783 /nfs/dbraw/zinc/24/37/83/1074243783.db2.gz UICVQYXMSJGVAQ-UHFFFAOYSA-N 1 0 403.523 1.553 20 0 HDADRO C[N@@H+]1CC[C@H](NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)[C@H]1c1ccccc1 ZINC000429224610 1074245861 /nfs/dbraw/zinc/24/58/61/1074245861.db2.gz YJPKBDGWXOEELV-IFXJQAMLSA-N 1 0 408.462 1.944 20 0 HDADRO 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CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000675164790 1074746613 /nfs/dbraw/zinc/74/66/13/1074746613.db2.gz JLRRRUQGRYTXCR-IXDOHACOSA-N 1 0 406.531 1.515 20 0 HDADRO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CC2 ZINC000675154598 1074747355 /nfs/dbraw/zinc/74/73/55/1074747355.db2.gz IVOVAQYOCWUXKX-XOKHGSTOSA-N 1 0 412.456 1.966 20 0 HDADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2=O)cc1 ZINC000675183005 1074754644 /nfs/dbraw/zinc/75/46/44/1074754644.db2.gz AVFPFJMNLRJNLP-UXHICEINSA-N 1 0 412.534 1.299 20 0 HDADRO CN(CCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000766096068 1074755115 /nfs/dbraw/zinc/75/51/15/1074755115.db2.gz GDOQJRUAHIAENQ-FUHWJXTLSA-N 1 0 418.563 1.790 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000675198171 1074755281 /nfs/dbraw/zinc/75/52/81/1074755281.db2.gz SPKGMBNCZRXACP-SFHVURJKSA-N 1 0 405.518 1.966 20 0 HDADRO 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CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[NH+]1CCCC1 ZINC000448530135 1074784066 /nfs/dbraw/zinc/78/40/66/1074784066.db2.gz ULZOQRNFOKICNA-CQSZACIVSA-N 1 0 403.449 2.401 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000477085641 1074790102 /nfs/dbraw/zinc/79/01/02/1074790102.db2.gz TULYFPJMIHSGEI-ULQDDVLXSA-N 1 0 405.543 1.158 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000477093596 1074791752 /nfs/dbraw/zinc/79/17/52/1074791752.db2.gz DSBTZIUGQBSTFY-KRWDZBQOSA-N 1 0 402.539 1.562 20 0 HDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675304898 1074793517 /nfs/dbraw/zinc/79/35/17/1074793517.db2.gz HTKZTVGXKVUBFI-SJLPKXTDSA-N 1 0 420.941 1.942 20 0 HDADRO Cc1cc(NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000555276481 1074796490 /nfs/dbraw/zinc/79/64/90/1074796490.db2.gz YAABQRSFOGUFGN-QGZVFWFLSA-N 1 0 407.478 1.949 20 0 HDADRO 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Cn1c(CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)nc2cc(Cl)ccc21 ZINC000675946128 1075304739 /nfs/dbraw/zinc/30/47/39/1075304739.db2.gz RVCFORZSDDDVAN-OAHLLOKOSA-N 1 0 421.929 1.412 20 0 HDADRO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)[C@H]1C(C)C ZINC000429386155 1075306339 /nfs/dbraw/zinc/30/63/39/1075306339.db2.gz WMUSRTRXKSMTDA-ZWOKBUDYSA-N 1 0 403.523 1.949 20 0 HDADRO CS(=O)(=O)N1CCC([NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000675931395 1075307508 /nfs/dbraw/zinc/30/75/08/1075307508.db2.gz HEEXYLGPKIXLRV-UHFFFAOYSA-N 1 0 408.549 1.587 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H](CO)c2cccc(Br)c2)CC1 ZINC000675952726 1075313530 /nfs/dbraw/zinc/31/35/30/1075313530.db2.gz IOALPYPFPZYONN-MRXNPFEDSA-N 1 0 413.360 1.808 20 0 HDADRO C[C@@H]1CN(C(=O)NC2CCN(c3nccs3)CC2)CCN1C1CC[NH+](C)CC1 ZINC000466708118 1075314609 /nfs/dbraw/zinc/31/46/09/1075314609.db2.gz PQIPAYWDRZKINH-MRXNPFEDSA-N 1 0 406.600 1.922 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2c(F)c(F)cc(F)c2F)CC1 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HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cn1 ZINC000676094014 1075353159 /nfs/dbraw/zinc/35/31/59/1075353159.db2.gz ZHWDETLMHNSCKQ-IBGZPJMESA-N 1 0 413.478 1.422 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc(N2CCCC2=O)c1 ZINC000676093651 1075353624 /nfs/dbraw/zinc/35/36/24/1075353624.db2.gz YYFJNCWWHGTEGQ-OAHLLOKOSA-N 1 0 412.494 1.387 20 0 HDADRO O=C(NCCc1ccn(-c2ccccc2)n1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676093589 1075353955 /nfs/dbraw/zinc/35/39/55/1075353955.db2.gz OEDSNCDAEPBWJY-UHFFFAOYSA-N 1 0 401.430 1.750 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000676093774 1075353975 /nfs/dbraw/zinc/35/39/75/1075353975.db2.gz OXIPDLXEKVYJFD-SFHVURJKSA-N 1 0 404.430 1.123 20 0 HDADRO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)nc2c1 ZINC000676093457 1075354430 /nfs/dbraw/zinc/35/44/30/1075354430.db2.gz JPUNVFPEIGZKLE-GOSISDBHSA-N 1 0 409.494 1.932 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cc(F)cc(Br)c2)cn1 ZINC000676094042 1075355173 /nfs/dbraw/zinc/35/51/73/1075355173.db2.gz ZRYAAJDLCWDLJZ-UHFFFAOYSA-N 1 0 412.263 1.601 20 0 HDADRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000731464141 1075356482 /nfs/dbraw/zinc/35/64/82/1075356482.db2.gz CQMWMQPBCJMTDY-GOSISDBHSA-N 1 0 406.552 1.645 20 0 HDADRO Cc1cc(Br)ccc1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676096001 1075356984 /nfs/dbraw/zinc/35/69/84/1075356984.db2.gz ZSASACFEDCBHSU-UHFFFAOYSA-N 1 0 408.300 1.771 20 0 HDADRO CN(C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 ZINC000731466344 1075357690 /nfs/dbraw/zinc/35/76/90/1075357690.db2.gz AIMPSQBDANLATE-OAHLLOKOSA-N 1 0 400.504 1.559 20 0 HDADRO COc1cc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc(OC)c1OCC(N)=O ZINC000731468181 1075358110 /nfs/dbraw/zinc/35/81/10/1075358110.db2.gz URZSCKJTHYXKTH-INIZCTEOSA-N 1 0 413.474 1.701 20 0 HDADRO CCN(C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1)CC(F)(F)F ZINC000676096580 1075358767 /nfs/dbraw/zinc/35/87/67/1075358767.db2.gz BJECAMPJDUXTIJ-CQSZACIVSA-N 1 0 418.464 1.116 20 0 HDADRO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000676096687 1075359076 /nfs/dbraw/zinc/35/90/76/1075359076.db2.gz GTYDHUIPLGRQBI-KBXCAEBGSA-N 1 0 403.458 1.511 20 0 HDADRO Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)nn2)CC1 ZINC000551713099 1075359916 /nfs/dbraw/zinc/35/99/16/1075359916.db2.gz XIVUZKZDIQNQAR-UHFFFAOYSA-N 1 0 411.506 2.292 20 0 HDADRO CN(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1c(F)cccc1F ZINC000676097262 1075362532 /nfs/dbraw/zinc/36/25/32/1075362532.db2.gz YBWFTOHUGDSYSY-INIZCTEOSA-N 1 0 408.453 1.081 20 0 HDADRO COc1cc(OC)cc(OCCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000676100475 1075362632 /nfs/dbraw/zinc/36/26/32/1075362632.db2.gz SYRXVVNJPDVHCZ-UHFFFAOYSA-N 1 0 411.418 1.418 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCc2nc(C(F)(F)F)cs2)cn1 ZINC000676098127 1075362963 /nfs/dbraw/zinc/36/29/63/1075362963.db2.gz ZYCLNFDUZOLEOO-UHFFFAOYSA-N 1 0 404.418 1.217 20 0 HDADRO 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/nfs/dbraw/zinc/51/67/04/1075516704.db2.gz JILFIWWQYATPIN-KSSFIOAISA-N 1 0 407.536 1.380 20 0 HDADRO COc1ccc([C@@H]2[C@@H](C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC(=O)N2C)cc1 ZINC000676344170 1075516734 /nfs/dbraw/zinc/51/67/34/1075516734.db2.gz IJSIJZMGMBWNMV-HFSMHLIXSA-N 1 0 401.507 1.584 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000676343714 1075517473 /nfs/dbraw/zinc/51/74/73/1075517473.db2.gz WBICTRNLIFNXAI-ZWKOTPCHSA-N 1 0 415.490 1.180 20 0 HDADRO COc1ccc([C@@H]2[C@H](C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CCC(=O)N2C)cc1 ZINC000676345882 1075519167 /nfs/dbraw/zinc/51/91/67/1075519167.db2.gz WESJRVXOHPCERK-SYYKKAFVSA-N 1 0 415.534 1.974 20 0 HDADRO COc1cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OCC(=O)NC(C)C ZINC000676345376 1075519504 /nfs/dbraw/zinc/51/95/04/1075519504.db2.gz ZMFUQOGQSRUFAP-GOSISDBHSA-N 1 0 419.522 1.582 20 0 HDADRO CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)cc2)CC1 ZINC000731781545 1075522189 /nfs/dbraw/zinc/52/21/89/1075522189.db2.gz WCOYZERIOQBIBY-UHFFFAOYSA-N 1 0 416.503 1.960 20 0 HDADRO Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccccc3N3CC[NH+](C)CC3)cc12 ZINC000731780365 1075522236 /nfs/dbraw/zinc/52/22/36/1075522236.db2.gz AGZXLYUAEPDTNA-UHFFFAOYSA-N 1 0 400.508 1.829 20 0 HDADRO Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cc12 ZINC000731780914 1075522551 /nfs/dbraw/zinc/52/25/51/1075522551.db2.gz KTUYDJSOEWISGD-UHFFFAOYSA-N 1 0 400.508 1.829 20 0 HDADRO CO[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000946905443 1075522963 /nfs/dbraw/zinc/52/29/63/1075522963.db2.gz HTKNBFVROCFXTE-RACLHMPKSA-N 1 0 401.507 1.271 20 0 HDADRO C[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000731782480 1075522994 /nfs/dbraw/zinc/52/29/94/1075522994.db2.gz RPHFHFAZMNEZET-UHFFFAOYSA-N 1 0 409.533 1.643 20 0 HDADRO Cn1cc(S(=O)(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)cc1C(N)=O ZINC000731784449 1075524139 /nfs/dbraw/zinc/52/41/39/1075524139.db2.gz ZQKDFNUQTQGTMR-UHFFFAOYSA-N 1 0 423.514 1.594 20 0 HDADRO COc1cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)ccc1OCC(=O)N1CCCC1 ZINC000509408812 1075528818 /nfs/dbraw/zinc/52/88/18/1075528818.db2.gz BMFWWSMUMWKZIB-ROUUACIJSA-N 1 0 401.507 1.939 20 0 HDADRO CCN1C(=O)N=NC1C1CC[NH+](CCN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000676360029 1075532898 /nfs/dbraw/zinc/53/28/98/1075532898.db2.gz POGDKMNJWSXQHN-UHFFFAOYSA-N 1 0 407.540 1.645 20 0 HDADRO COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000731851155 1075533789 /nfs/dbraw/zinc/53/37/89/1075533789.db2.gz JHQXUVOJBUPVFX-XVJNWHFHSA-N 1 0 412.508 1.605 20 0 HDADRO CSC1(CNC(=O)C(=O)Nc2nn(-c3ccccc3)cc2C)CC[NH+](C)CC1 ZINC000589436298 1075547099 /nfs/dbraw/zinc/54/70/99/1075547099.db2.gz ZBXYGTFPFLEEHQ-UHFFFAOYSA-N 1 0 401.536 2.063 20 0 HDADRO CC(C)(C)C[N@H+](CCO)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000731843207 1075547721 /nfs/dbraw/zinc/54/77/21/1075547721.db2.gz MIVFZVDDVNANKK-UHFFFAOYSA-N 1 0 410.540 1.436 20 0 HDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000731885101 1075555085 /nfs/dbraw/zinc/55/50/85/1075555085.db2.gz JWCFORPASMYLPA-UHFFFAOYSA-N 1 0 407.458 1.690 20 0 HDADRO C[C@@H](NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)c1nc2ccccc2s1 ZINC000804163890 1075567794 /nfs/dbraw/zinc/56/77/94/1075567794.db2.gz FGWBXYHPQOYRFU-OAHLLOKOSA-N 1 0 403.552 1.569 20 0 HDADRO C[C@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)c1nc2ccccc2s1 ZINC000804164793 1075568299 /nfs/dbraw/zinc/56/82/99/1075568299.db2.gz LVTOCLFWGYUOMX-AWEZNQCLSA-N 1 0 404.536 1.779 20 0 HDADRO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)CCO2 ZINC000676505162 1075571351 /nfs/dbraw/zinc/57/13/51/1075571351.db2.gz OQPNAJWXHOWHPQ-LJQANCHMSA-N 1 0 418.538 1.121 20 0 HDADRO CCN(CCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000804257248 1075572109 /nfs/dbraw/zinc/57/21/09/1075572109.db2.gz VBYCGBIUKBXUCG-UHFFFAOYSA-N 1 0 410.559 1.837 20 0 HDADRO C[C@H](NC(=O)N1CCN2CCOC[C@H]2C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000543677207 1075572432 /nfs/dbraw/zinc/57/24/32/1075572432.db2.gz HVPWUTBGXWWXOR-FUHWJXTLSA-N 1 0 405.518 1.365 20 0 HDADRO Cn1cc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1C(=O)NCC(F)(F)F ZINC000543676066 1075576998 /nfs/dbraw/zinc/57/69/98/1075576998.db2.gz MKINEHUZNNOROV-UHFFFAOYSA-N 1 0 424.489 1.670 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N1CCO[C@@H](c2ccccc2Br)C1)C1CC1 ZINC000804221563 1075578004 /nfs/dbraw/zinc/57/80/04/1075578004.db2.gz NZGWNOSZBCPFLJ-QGZVFWFLSA-N 1 0 424.339 1.950 20 0 HDADRO COCCN(C(=O)C[N@@H+]1CC[C@@H](CC(C)C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000466733187 1075578610 /nfs/dbraw/zinc/57/86/10/1075578610.db2.gz QJMALJNAESJYRQ-INIZCTEOSA-N 1 0 423.558 1.535 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1COc1ccccc1 ZINC000429444815 1075579734 /nfs/dbraw/zinc/57/97/34/1075579734.db2.gz CGGYAZMRMSMQPP-SFHVURJKSA-N 1 0 410.518 1.956 20 0 HDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)/C=C\c2cncc(C(=O)NC)c2)CC1 ZINC000731971440 1075580070 /nfs/dbraw/zinc/58/00/70/1075580070.db2.gz AZOVVOYGDHXKHU-HJWRWDBZSA-N 1 0 421.545 1.908 20 0 HDADRO O=C(NCCNS(=O)(=O)c1cccnc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000676542820 1075581033 /nfs/dbraw/zinc/58/10/33/1075581033.db2.gz SFHDPABCXFLADJ-UHFFFAOYSA-N 1 0 423.583 1.658 20 0 HDADRO CNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c1 ZINC000731974913 1075581231 /nfs/dbraw/zinc/58/12/31/1075581231.db2.gz JPWFUOLHKITNJR-AATRIKPKSA-N 1 0 421.501 1.790 20 0 HDADRO CN(C(=O)C(=O)Nc1cc(C(C)(C)C)on1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000438869180 1075584092 /nfs/dbraw/zinc/58/40/92/1075584092.db2.gz YKPZZRGOUAFMLZ-UHFFFAOYSA-N 1 0 413.522 2.471 20 0 HDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1ccccc1I ZINC000429447578 1075587852 /nfs/dbraw/zinc/58/78/52/1075587852.db2.gz IANQZMOCEOUNJN-LLVKDONJSA-N 1 0 411.309 1.774 20 0 HDADRO COc1cc2c(cc1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)O[C@@H](C)C2 ZINC000676556495 1075589050 /nfs/dbraw/zinc/58/90/50/1075589050.db2.gz SGCKNBGHZYNIJK-ZDUSSCGKSA-N 1 0 401.467 1.032 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n(C2CCOCC2)n1 ZINC000676546428 1075590965 /nfs/dbraw/zinc/59/09/65/1075590965.db2.gz FJAXGDMBDUXSOT-SFHVURJKSA-N 1 0 419.526 1.195 20 0 HDADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000676548446 1075594118 /nfs/dbraw/zinc/59/41/18/1075594118.db2.gz NEPCSDDWNMIVOA-UHFFFAOYSA-N 1 0 422.489 1.522 20 0 HDADRO CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000732060869 1075597943 /nfs/dbraw/zinc/59/79/43/1075597943.db2.gz VQLVIAZTXZUGAV-IUQNVBDQSA-N 1 0 411.593 1.766 20 0 HDADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000438322476 1075602417 /nfs/dbraw/zinc/60/24/17/1075602417.db2.gz OETLQNPAPZTFFI-WOJBJXKFSA-N 1 0 418.586 2.334 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000429451164 1075606376 /nfs/dbraw/zinc/60/63/76/1075606376.db2.gz OIEKUCHDXCUPLM-NVXWUHKLSA-N 1 0 422.501 1.074 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C2CC[NH+](CC)CC2)c1 ZINC000509427057 1075608357 /nfs/dbraw/zinc/60/83/57/1075608357.db2.gz XFRBKUPNEZFJGI-UHFFFAOYSA-N 1 0 417.597 1.822 20 0 HDADRO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C(=O)OC(C)(C)C ZINC000804179230 1075610003 /nfs/dbraw/zinc/61/00/03/1075610003.db2.gz ASJORJGRGLHDKY-SJORKVTESA-N 1 0 404.511 1.531 20 0 HDADRO C[C@@H](NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000804180738 1075611526 /nfs/dbraw/zinc/61/15/26/1075611526.db2.gz UANFUYDPVIEXKL-HZPDHXFCSA-N 1 0 410.559 1.739 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)C1 ZINC000676618815 1075618802 /nfs/dbraw/zinc/61/88/02/1075618802.db2.gz YSACQZYIWLFMSB-GFCCVEGCSA-N 1 0 422.436 1.074 20 0 HDADRO CCN(CC)S(=O)(=O)c1ccc(CNc2cc(-n3cccn3)nc(N)[nH+]2)s1 ZINC000537879690 1075620307 /nfs/dbraw/zinc/62/03/07/1075620307.db2.gz XVZXKYGZRURWDV-UHFFFAOYSA-N 1 0 407.525 1.949 20 0 HDADRO COC1(CNC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCOCC1 ZINC000676622841 1075622880 /nfs/dbraw/zinc/62/28/80/1075622880.db2.gz KRDDKBVLWXAIQT-UHFFFAOYSA-N 1 0 407.536 1.486 20 0 HDADRO C[N@@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)C[C@H](O)C1CC1 ZINC000676633281 1075625758 /nfs/dbraw/zinc/62/57/58/1075625758.db2.gz WIDDINAAPHDBQU-SFHVURJKSA-N 1 0 409.552 1.180 20 0 HDADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCN2CCCS2(=O)=O)CC1 ZINC000676645621 1075632295 /nfs/dbraw/zinc/63/22/95/1075632295.db2.gz HJUZCDPKUBENIC-INIZCTEOSA-N 1 0 409.556 1.332 20 0 HDADRO CN(CC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C(=O)OC(C)(C)C ZINC000732113315 1075635545 /nfs/dbraw/zinc/63/55/45/1075635545.db2.gz RKIOUIFWKXZFPL-UHFFFAOYSA-N 1 0 418.538 1.995 20 0 HDADRO CN(C(=O)CNC(=O)c1cnc2ccccc2c1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000732135018 1075635908 /nfs/dbraw/zinc/63/59/08/1075635908.db2.gz LSWOMQANOVFREE-UHFFFAOYSA-N 1 0 422.485 1.861 20 0 HDADRO O=C(Cc1cccc(OC(F)(F)F)c1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000676640320 1075635955 /nfs/dbraw/zinc/63/59/55/1075635955.db2.gz CFSCYKWDTNWIKP-INIZCTEOSA-N 1 0 401.429 1.650 20 0 HDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCc3cc4c(cc3OC(F)F)OCO4)[C@H]2C1 ZINC000676669342 1075638008 /nfs/dbraw/zinc/63/80/08/1075638008.db2.gz SIHBSKFPOIRIQP-YPMHNXCESA-N 1 0 411.405 1.186 20 0 HDADRO COc1ccccc1CN1CCN(C(=O)Cc2c(C)nc3nc(N)nn3c2C)CC1 ZINC000556503457 1075639244 /nfs/dbraw/zinc/63/92/44/1075639244.db2.gz XEMVIXMHIWBKEG-UHFFFAOYSA-N 1 0 409.494 1.219 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC(N2CCCNC2=O)CC1 ZINC000676655629 1075639376 /nfs/dbraw/zinc/63/93/76/1075639376.db2.gz ZXPAGIIPHQRETF-UHFFFAOYSA-N 1 0 402.499 1.259 20 0 HDADRO C[C@@H]1COCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000676714542 1075657860 /nfs/dbraw/zinc/65/78/60/1075657860.db2.gz VXOQRLRHJYHAAD-CYBMUJFWSA-N 1 0 421.972 1.345 20 0 HDADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676724147 1075660662 /nfs/dbraw/zinc/66/06/62/1075660662.db2.gz OTNYZWQHQPXYLM-UHFFFAOYSA-N 1 0 415.421 1.084 20 0 HDADRO 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ZINC000676745177 1075669137 /nfs/dbraw/zinc/66/91/37/1075669137.db2.gz VXCRAPBZAWAWTN-UHFFFAOYSA-N 1 0 401.511 1.858 20 0 HDADRO COCc1ncc(C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)c(N)n1 ZINC000498871534 1075674083 /nfs/dbraw/zinc/67/40/83/1075674083.db2.gz JMUMCVRLGCBWEG-MRXNPFEDSA-N 1 0 412.494 1.624 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCc3ccccc3OC2)Cc2ccccc2C1 ZINC000506431096 1075675622 /nfs/dbraw/zinc/67/56/22/1075675622.db2.gz TXVPPGHKBKONGB-FQEVSTJZSA-N 1 0 407.514 1.712 20 0 HDADRO COc1ccc(OC)c([C@H](O)C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000732204396 1075676124 /nfs/dbraw/zinc/67/61/24/1075676124.db2.gz VDUOSQKZZXFZHN-HXUWFJFHSA-N 1 0 405.539 1.613 20 0 HDADRO C[C@@H](NC(=O)N1CCN(c2nc(N)ns2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498719320 1075676146 /nfs/dbraw/zinc/67/61/46/1075676146.db2.gz UWXFBIXRGIPGLJ-NVXWUHKLSA-N 1 0 415.567 1.863 20 0 HDADRO COc1cccc(C[N@@H+]2CC3(CN(C(=O)OC(C)(C)C)C3)[C@]3(CCNC3=O)C2)n1 ZINC001137528462 1075681645 /nfs/dbraw/zinc/68/16/45/1075681645.db2.gz GJLRXWPBFXOEQJ-OAQYLSRUSA-N 1 0 402.495 1.649 20 0 HDADRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)NCCc3nc(N)no3)c2)CC1 ZINC000539208226 1075682715 /nfs/dbraw/zinc/68/27/15/1075682715.db2.gz PTCKPBRDFKOTJK-UHFFFAOYSA-N 1 0 400.483 1.224 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000429465607 1075683476 /nfs/dbraw/zinc/68/34/76/1075683476.db2.gz CPMBGBJNHLYGFE-QGZVFWFLSA-N 1 0 408.502 1.608 20 0 HDADRO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCCCCC[NH+](C)C)c2ccccc2O1 ZINC000141809836 1075688738 /nfs/dbraw/zinc/68/87/38/1075688738.db2.gz HWBAMEFBJLTXQL-GOSISDBHSA-N 1 0 404.511 1.155 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000804216237 1075690639 /nfs/dbraw/zinc/69/06/39/1075690639.db2.gz DJIHMQQATFCPTE-IAGOWNOFSA-N 1 0 412.575 1.938 20 0 HDADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000509435345 1075691111 /nfs/dbraw/zinc/69/11/11/1075691111.db2.gz 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Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(OCC(F)(F)F)c1 ZINC000429466150 1075704853 /nfs/dbraw/zinc/70/48/53/1075704853.db2.gz FCDRZTGRLLSLQX-CQSZACIVSA-N 1 0 416.444 1.627 20 0 HDADRO C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)NCc3cncnc3N)cc2)C[C@@H]1C ZINC000561166191 1075720427 /nfs/dbraw/zinc/72/04/27/1075720427.db2.gz JQCVLHYHICFJBZ-IRXDYDNUSA-N 1 0 412.538 2.067 20 0 HDADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444513726 1075722737 /nfs/dbraw/zinc/72/27/37/1075722737.db2.gz ZZSFWPHFFYWSDI-UHFFFAOYSA-N 1 0 415.391 1.955 20 0 HDADRO C[NH+](C)CCN1CCC(NC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000490373574 1075723730 /nfs/dbraw/zinc/72/37/30/1075723730.db2.gz OBWJFHBACPZDKN-UHFFFAOYSA-N 1 0 418.929 1.606 20 0 HDADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC1=O ZINC000427199028 1075724066 /nfs/dbraw/zinc/72/40/66/1075724066.db2.gz JMTJFYFMOJPBPW-LBPRGKRZSA-N 1 0 410.400 1.635 20 0 HDADRO C[C@@H]1C[C@H]1[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Cl)cc1 ZINC000446745782 1075724398 /nfs/dbraw/zinc/72/43/98/1075724398.db2.gz QHXPZJOFSYLKBY-MZMPZRCHSA-N 1 0 403.914 2.550 20 0 HDADRO CC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c2ccccc21 ZINC000534582695 1075724584 /nfs/dbraw/zinc/72/45/84/1075724584.db2.gz DAEWJRIRIROWJJ-KRWDZBQOSA-N 1 0 404.430 1.820 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CSc2nc(-c3ccccc3)no2)CC1 ZINC000543587437 1075725208 /nfs/dbraw/zinc/72/52/08/1075725208.db2.gz JLPSKXKPAUAXRG-UHFFFAOYSA-N 1 0 417.535 1.888 20 0 HDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CCN(S(=O)(=O)c4cccs4)C3)[C@@H]2C1 ZINC000509258845 1075729067 /nfs/dbraw/zinc/72/90/67/1075729067.db2.gz POHXPVIOYXIMJD-BZUAXINKSA-N 1 0 412.581 1.494 20 0 HDADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000509441663 1075732281 /nfs/dbraw/zinc/73/22/81/1075732281.db2.gz XAVUGXNSYGTNQD-RTBURBONSA-N 1 0 417.598 1.406 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)n1 ZINC000436445202 1075732371 /nfs/dbraw/zinc/73/23/71/1075732371.db2.gz SXMWPUZOXBAEAJ-DZGCQCFKSA-N 1 0 410.305 2.362 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000446806440 1075732636 /nfs/dbraw/zinc/73/26/36/1075732636.db2.gz OSJSEEHZFYMVRL-IBGZPJMESA-N 1 0 401.486 2.570 20 0 HDADRO Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000556181243 1075732885 /nfs/dbraw/zinc/73/28/85/1075732885.db2.gz GCGIQPVXHZHWHH-UHFFFAOYSA-N 1 0 421.914 2.137 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cc(F)ccc2SCC(F)F)n1 ZINC000579533607 1075732952 /nfs/dbraw/zinc/73/29/52/1075732952.db2.gz DWXYJUIUTZJFEN-UHFFFAOYSA-N 1 0 415.441 2.518 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)n1 ZINC000581162153 1075733009 /nfs/dbraw/zinc/73/30/09/1075733009.db2.gz GLVDTUKDESVIIQ-UHFFFAOYSA-N 1 0 421.505 2.475 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000582211765 1075733284 /nfs/dbraw/zinc/73/32/84/1075733284.db2.gz DSZAEFJAKVLWBF-UHFFFAOYSA-N 1 0 420.473 2.274 20 0 HDADRO O=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000509258032 1075734275 /nfs/dbraw/zinc/73/42/75/1075734275.db2.gz WWESPPRKXIXOAM-CVEARBPZSA-N 1 0 410.565 1.414 20 0 HDADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)CC1 ZINC000429474640 1075735400 /nfs/dbraw/zinc/73/54/00/1075735400.db2.gz XKNTVGNKAUOIBU-SJLPKXTDSA-N 1 0 416.522 1.070 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1 ZINC000483596669 1075735798 /nfs/dbraw/zinc/73/57/98/1075735798.db2.gz CVCJSQAJUTVFHL-UHFFFAOYSA-N 1 0 416.501 1.893 20 0 HDADRO Cn1c([C@H]2CCS(=O)(=O)C2)nn(CN2CC[NH+](Cc3ccccc3)CC2)c1=S ZINC000732408467 1075736763 /nfs/dbraw/zinc/73/67/63/1075736763.db2.gz BQFFAAOCXFJOIM-KRWDZBQOSA-N 1 0 421.592 1.628 20 0 HDADRO CN1CCN([C@@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)c2cccs2)CC1 ZINC000525741666 1075737650 /nfs/dbraw/zinc/73/76/50/1075737650.db2.gz CGCFGGOWJUUDHY-INIZCTEOSA-N 1 0 405.572 1.616 20 0 HDADRO O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)N1CCN(Cc2cccs2)CC1 ZINC000732412021 1075738111 /nfs/dbraw/zinc/73/81/11/1075738111.db2.gz AYVULHUJYZAHNT-SFHVURJKSA-N 1 0 404.580 1.869 20 0 HDADRO CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509258462 1075738952 /nfs/dbraw/zinc/73/89/52/1075738952.db2.gz ZRYYWJKBPMRVRZ-INIZCTEOSA-N 1 0 416.613 1.988 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)C[C@@H](Cc3ccc(F)cc3)C2=O)C1 ZINC000466640815 1075740706 /nfs/dbraw/zinc/74/07/06/1075740706.db2.gz HNPOKXNDNMRGPL-IEBWSBKVSA-N 1 0 419.497 1.216 20 0 HDADRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000555327282 1075741643 /nfs/dbraw/zinc/74/16/43/1075741643.db2.gz FSSYITZOYIYDRT-CYBMUJFWSA-N 1 0 417.819 2.456 20 0 HDADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCCCNc2ccc(C)cn2)cc1 ZINC000581454302 1075747062 /nfs/dbraw/zinc/74/70/62/1075747062.db2.gz ZWCVLXQRMZEGMM-UHFFFAOYSA-N 1 0 418.519 1.879 20 0 HDADRO CC(=O)N(Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1)C(C)C 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ATJZITNATAVQTP-UHFFFAOYSA-N 1 0 415.538 1.334 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000521417087 1075762719 /nfs/dbraw/zinc/76/27/19/1075762719.db2.gz UBCHOZABSHGBPU-AWEZNQCLSA-N 1 0 407.522 1.819 20 0 HDADRO C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)C3)CC[N@@H+]1C ZINC001005839811 1075762870 /nfs/dbraw/zinc/76/28/70/1075762870.db2.gz MFZCAONVGCZXBE-HHARLNAUSA-N 1 0 401.555 1.920 20 0 HDADRO Nc1nc(C2CCCC2)ncc1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000496533431 1075765874 /nfs/dbraw/zinc/76/58/74/1075765874.db2.gz HSRQLRRKZZJODH-UHFFFAOYSA-N 1 0 424.553 1.839 20 0 HDADRO Nc1nsc(N2CCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000472307321 1075768184 /nfs/dbraw/zinc/76/81/84/1075768184.db2.gz YHXCEAUIVLXYTM-INIZCTEOSA-N 1 0 401.540 1.474 20 0 HDADRO C[C@H](NC(=O)Nc1ccn(CCN2CCOCC2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000562218265 1075769890 /nfs/dbraw/zinc/76/98/90/1075769890.db2.gz RMKAOVYHPLKPPN-PXNSSMCTSA-N 1 0 400.527 2.028 20 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UZALQLGZTLWLFY-QFIPXVFZSA-N 1 0 412.442 1.622 20 0 HDADRO CCOC(=O)C[C@H](O)C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000611237433 1075881735 /nfs/dbraw/zinc/88/17/35/1075881735.db2.gz LCMZQSVCWBFLJA-CJNGLKHVSA-N 1 0 404.463 1.615 20 0 HDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncccc2I)CC1 ZINC000611242511 1075882143 /nfs/dbraw/zinc/88/21/43/1075882143.db2.gz KWAHIFWCWPJODL-CYBMUJFWSA-N 1 0 400.264 1.605 20 0 HDADRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000611323956 1075901137 /nfs/dbraw/zinc/90/11/37/1075901137.db2.gz YMKKMPGWUCPEGM-QGZVFWFLSA-N 1 0 403.527 1.427 20 0 HDADRO c1c(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)nnn1-c1ccccc1 ZINC000732915210 1075912288 /nfs/dbraw/zinc/91/22/88/1075912288.db2.gz YOVKUZXUYOKUAE-SFHVURJKSA-N 1 0 420.521 1.653 20 0 HDADRO COCCOc1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611367526 1075914687 /nfs/dbraw/zinc/91/46/87/1075914687.db2.gz QSJHGMZSFXJKOC-GOSISDBHSA-N 1 0 418.538 1.277 20 0 HDADRO COC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000611367726 1075914726 /nfs/dbraw/zinc/91/47/26/1075914726.db2.gz SZIDIJAMVZDHJY-QGZVFWFLSA-N 1 0 416.522 1.347 20 0 HDADRO C[S@@](=O)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1F ZINC000611359268 1075917227 /nfs/dbraw/zinc/91/72/27/1075917227.db2.gz VXAURFNTJJUTPV-OHZJNBGDSA-N 1 0 411.499 1.215 20 0 HDADRO CC[C@@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1ccccc1OCC(=O)NC ZINC000611379836 1075921727 /nfs/dbraw/zinc/92/17/27/1075921727.db2.gz GZZILDAWILVCTK-MRXNPFEDSA-N 1 0 418.519 1.940 20 0 HDADRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N(CCO)CCN1CCOCC1 ZINC000489647296 1075924144 /nfs/dbraw/zinc/92/41/44/1075924144.db2.gz IFWPQURJFVZERY-UHFFFAOYSA-N 1 0 424.973 1.641 20 0 HDADRO COC(=O)C(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000611405331 1075926018 /nfs/dbraw/zinc/92/60/18/1075926018.db2.gz KYQOIIILFWLYTR-SFHVURJKSA-N 1 0 419.503 1.803 20 0 HDADRO CCN(C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000611405375 1075926458 /nfs/dbraw/zinc/92/64/58/1075926458.db2.gz LYWYZJXZQQZZHQ-WMZOPIPTSA-N 1 0 410.536 1.552 20 0 HDADRO CCOC(=O)c1c(F)cccc1NC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000611454973 1075938092 /nfs/dbraw/zinc/93/80/92/1075938092.db2.gz FTSJPZVRMDIBGJ-UHFFFAOYSA-N 1 0 408.474 1.924 20 0 HDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000732999671 1075943958 /nfs/dbraw/zinc/94/39/58/1075943958.db2.gz YFWVXJDLZJVHOK-KBPBESRZSA-N 1 0 410.531 1.813 20 0 HDADRO C[C@@H](CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000732998545 1075943978 /nfs/dbraw/zinc/94/39/78/1075943978.db2.gz MHDWRWINWAFFJQ-KGLIPLIRSA-N 1 0 410.531 1.670 20 0 HDADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000732999674 1075943986 /nfs/dbraw/zinc/94/39/86/1075943986.db2.gz YFWVXJDLZJVHOK-OKILXGFUSA-N 1 0 410.531 1.813 20 0 HDADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1N1C(=O)CCC1=O ZINC000733048841 1075954577 /nfs/dbraw/zinc/95/45/77/1075954577.db2.gz PQLQEBYNUIQPJR-ZBFHGGJFSA-N 1 0 414.506 1.824 20 0 HDADRO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000611533757 1075954537 /nfs/dbraw/zinc/95/45/37/1075954537.db2.gz QMYDDNHVCFJSJA-NRFANRHFSA-N 1 0 421.501 1.585 20 0 HDADRO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000733045792 1075964055 /nfs/dbraw/zinc/96/40/55/1075964055.db2.gz UQIRFIRMIHPXMJ-UHFFFAOYSA-N 1 0 422.542 1.768 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 ZINC000490376872 1075964557 /nfs/dbraw/zinc/96/45/57/1075964557.db2.gz QWRRQANSZOEPKC-CQSZACIVSA-N 1 0 421.523 1.061 20 0 HDADRO CC(C)OC(=O)N1CCC(NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000733045271 1075965021 /nfs/dbraw/zinc/96/50/21/1075965021.db2.gz QUKOBVZFKMHCCC-HXUWFJFHSA-N 1 0 418.538 1.714 20 0 HDADRO CCC[NH+]1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@H]32)CC1 ZINC001079165146 1075966237 /nfs/dbraw/zinc/96/62/37/1075966237.db2.gz GUKQITVDPRYFBS-IRIQXGSBSA-N 1 0 402.539 1.279 20 0 HDADRO O=C(C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1c1cccc(F)c1)N1CCC1 ZINC001079192656 1075967025 /nfs/dbraw/zinc/96/70/25/1075967025.db2.gz SVICXGSLRDEECH-OSFNYYGPSA-N 1 0 413.493 1.365 20 0 HDADRO Cc1oncc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3COC[C@@H]32)CC1 ZINC001079263244 1075968328 /nfs/dbraw/zinc/96/83/28/1075968328.db2.gz PQSFYEKSACUEHX-OBKDMQGPSA-N 1 0 401.507 1.990 20 0 HDADRO Cn1cncc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3COC[C@@H]32)CC1 ZINC001079263267 1075968395 /nfs/dbraw/zinc/96/83/95/1075968395.db2.gz QSYPVSVCHKQESY-OBKDMQGPSA-N 1 0 400.523 1.427 20 0 HDADRO O=C(C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1ccccc1F)N1CCC1 ZINC001079313124 1075969043 /nfs/dbraw/zinc/96/90/43/1075969043.db2.gz DHGLWCSKPZVBTO-YTYFBAJQSA-N 1 0 401.482 1.510 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000105175997 1075969849 /nfs/dbraw/zinc/96/98/49/1075969849.db2.gz ORHTYYUHADQJEX-CQSZACIVSA-N 1 0 419.494 1.106 20 0 HDADRO CN1CC[NH+](CCCCNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC000733131442 1075980207 /nfs/dbraw/zinc/98/02/07/1075980207.db2.gz PFCKYEOAZBDQSI-PYCFMQQDSA-N 1 0 421.545 1.996 20 0 HDADRO CCOc1c(Br)cc(C[N@H+](CCO)CCN2CCOCC2)cc1OC ZINC000510210038 1075989792 /nfs/dbraw/zinc/98/97/92/1075989792.db2.gz JSDNFKUUNNOKNR-UHFFFAOYSA-N 1 0 417.344 1.983 20 0 HDADRO Cc1ccc(S(=O)(=O)NCCC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC000733157673 1075990313 /nfs/dbraw/zinc/99/03/13/1075990313.db2.gz BWTLGIZZGGPXJA-LJQANCHMSA-N 1 0 423.579 1.731 20 0 HDADRO O=C(CNC(=O)c1cnc2ccccc2c1O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733158827 1075991100 /nfs/dbraw/zinc/99/11/00/1075991100.db2.gz RQNMKKLGRJSZAI-MRXNPFEDSA-N 1 0 412.490 1.018 20 0 HDADRO CCC[N@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC001080640388 1075991124 /nfs/dbraw/zinc/99/11/24/1075991124.db2.gz AWISXRFJCOOUMS-IYWGDAJJSA-N 1 0 403.567 1.983 20 0 HDADRO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733158493 1075991470 /nfs/dbraw/zinc/99/14/70/1075991470.db2.gz ODHNDWDYAPCFAG-KYYPIKSYSA-N 1 0 414.485 1.878 20 0 HDADRO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733158494 1075991475 /nfs/dbraw/zinc/99/14/75/1075991475.db2.gz ODHNDWDYAPCFAG-PQDCBLBRSA-N 1 0 414.485 1.878 20 0 HDADRO CON(C)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000733158417 1075991516 /nfs/dbraw/zinc/99/15/16/1075991516.db2.gz MRFWTZXDOCFSKM-QGZVFWFLSA-N 1 0 411.524 1.242 20 0 HDADRO O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733159627 1075993132 /nfs/dbraw/zinc/99/31/32/1075993132.db2.gz VFTYLFDPYWJGGT-SFHVURJKSA-N 1 0 424.501 1.383 20 0 HDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC000733159572 1075993144 /nfs/dbraw/zinc/99/31/44/1075993144.db2.gz TUSJJKXRQSFYRR-HNNXBMFYSA-N 1 0 414.547 1.268 20 0 HDADRO CC(C)NS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000733159067 1075993166 /nfs/dbraw/zinc/99/31/66/1075993166.db2.gz XWWJUZJWHRKZFF-SFHVURJKSA-N 1 0 409.552 1.747 20 0 HDADRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733160297 1075994284 /nfs/dbraw/zinc/99/42/84/1075994284.db2.gz OZYXKQWWXVCWCI-ZFWWWQNUSA-N 1 0 401.554 1.175 20 0 HDADRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O ZINC000733164988 1075997018 /nfs/dbraw/zinc/99/70/18/1075997018.db2.gz GQQLUEJWGOOABD-DZGCQCFKSA-N 1 0 409.508 1.080 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@](C)(O)CSc2cccc(F)c2)CC1 ZINC000511688996 1075997890 /nfs/dbraw/zinc/99/78/90/1075997890.db2.gz VBCNZJQSKIJQMR-FQEVSTJZSA-N 1 0 411.543 1.728 20 0 HDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000733170036 1076000415 /nfs/dbraw/zinc/00/04/15/1076000415.db2.gz IZIMIRSEVODOQQ-LSDHHAIUSA-N 1 0 408.465 1.540 20 0 HDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000733170038 1076000531 /nfs/dbraw/zinc/00/05/31/1076000531.db2.gz JAMFAPAZUOOMJK-AWEZNQCLSA-N 1 0 421.485 1.984 20 0 HDADRO CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001081101484 1076001287 /nfs/dbraw/zinc/00/12/87/1076001287.db2.gz BROADLFKAKZPRA-NHHWGVFUSA-N 1 0 403.567 1.839 20 0 HDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 ZINC000733171541 1076001438 /nfs/dbraw/zinc/00/14/38/1076001438.db2.gz YKJJGNCYKKLIMO-DYVFJYSZSA-N 1 0 422.517 1.981 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)CN(C)[C@H](C)CS(=O)(=O)CC)cc2)CC1 ZINC000733196004 1076001836 /nfs/dbraw/zinc/00/18/36/1076001836.db2.gz CSSWEDUNJYDSNO-QGZVFWFLSA-N 1 0 410.584 1.522 20 0 HDADRO COc1ccc([C@H](CO)[N@H+](C)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000733195460 1076002059 /nfs/dbraw/zinc/00/20/59/1076002059.db2.gz OBQJGCOKPWPYJM-KRWDZBQOSA-N 1 0 418.494 1.336 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H](Oc3ncccc3F)C2)CC1 ZINC000495002284 1076003945 /nfs/dbraw/zinc/00/39/45/1076003945.db2.gz XQDMVBQKVLRCOR-KRWDZBQOSA-N 1 0 421.517 1.716 20 0 HDADRO COc1ccc(-c2noc(CONC(N)=C3C(=[NH2+])C4(CCCC4)N(C)C3=O)n2)cc1 ZINC000733191455 1076013345 /nfs/dbraw/zinc/01/33/45/1076013345.db2.gz KUDWDEQGLKOFSD-UHFFFAOYSA-N 1 0 412.450 1.741 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H](C)C[N@@H+]3CCC[C@@H](C)C3)C2)no1 ZINC000514026186 1076016594 /nfs/dbraw/zinc/01/65/94/1076016594.db2.gz DNIRPIJILXOWSN-SOLBZPMBSA-N 1 0 420.558 1.885 20 0 HDADRO CO[C@@H]1C[N@H+](CCc2ccc3c(c2)OCCO3)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081960882 1076020520 /nfs/dbraw/zinc/02/05/20/1076020520.db2.gz XQQCYEFDOHEHMU-KLDJGDJCSA-N 1 0 414.502 1.239 20 0 HDADRO COc1ccccc1CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H](OC)C1 ZINC001081960741 1076020614 /nfs/dbraw/zinc/02/06/14/1076020614.db2.gz PAECXZNXSOOWNK-JGAQBGERSA-N 1 0 400.519 1.867 20 0 HDADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC[NH+](C4CCC4)CC3)C2=O)cc1 ZINC000733274986 1076027227 /nfs/dbraw/zinc/02/72/27/1076027227.db2.gz FPMRAECSCGKZJS-OAQYLSRUSA-N 1 0 400.479 1.159 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N(C)C(=O)OC)cc2)CC1 ZINC000727038834 1076031529 /nfs/dbraw/zinc/03/15/29/1076031529.db2.gz FYILRRLEIQTZAZ-UHFFFAOYSA-N 1 0 406.483 1.445 20 0 HDADRO C[C@@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)Nc1cc(F)ccc1F ZINC000733306486 1076034603 /nfs/dbraw/zinc/03/46/03/1076034603.db2.gz KEQPVXMVKKVDIT-SNVBAGLBSA-N 1 0 407.421 1.788 20 0 HDADRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)CO)cc1S(=O)(=O)N1CCCCC1 ZINC000727059122 1076035466 /nfs/dbraw/zinc/03/54/66/1076035466.db2.gz VFYZQWKCTDUHMD-HNNXBMFYSA-N 1 0 413.540 1.559 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=S)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000727077089 1076039200 /nfs/dbraw/zinc/03/92/00/1076039200.db2.gz CJQUIHXATIWIFW-UHFFFAOYSA-N 1 0 415.604 1.118 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000727074074 1076046180 /nfs/dbraw/zinc/04/61/80/1076046180.db2.gz XUPNMURUTITNSK-UHFFFAOYSA-N 1 0 418.654 1.953 20 0 HDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000727109036 1076046971 /nfs/dbraw/zinc/04/69/71/1076046971.db2.gz CSFYASMPDZTXAS-AWEZNQCLSA-N 1 0 415.943 1.575 20 0 HDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000727109038 1076047031 /nfs/dbraw/zinc/04/70/31/1076047031.db2.gz CSFYASMPDZTXAS-CQSZACIVSA-N 1 0 415.943 1.575 20 0 HDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 ZINC000733352589 1076050097 /nfs/dbraw/zinc/05/00/97/1076050097.db2.gz WAUDRLHDFKUWDC-KRWDZBQOSA-N 1 0 403.593 1.165 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](O)c2cc(OC)ccc2OC)CC1=O ZINC000733359006 1076051540 /nfs/dbraw/zinc/05/15/40/1076051540.db2.gz VDIIMNNFWIBVLX-GPMSIDNRSA-N 1 0 419.522 1.186 20 0 HDADRO COc1ccc([C@@H](CNC(=O)C(=O)NCCc2cccc(C)n2)[NH+](C)C)cc1OC ZINC000516933679 1076055055 /nfs/dbraw/zinc/05/50/55/1076055055.db2.gz VBDWAWSSQAAELN-GOSISDBHSA-N 1 0 414.506 1.485 20 0 HDADRO O=C(COC(=O)CCN1C(=O)CCC1=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000733400551 1076060549 /nfs/dbraw/zinc/06/05/49/1076060549.db2.gz JZHYMIIYPWLFLM-UHFFFAOYSA-N 1 0 419.503 1.256 20 0 HDADRO Cc1c(-c2cc(C[NH2+][C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@H]3C)on2)cnn1C ZINC001082652017 1076061412 /nfs/dbraw/zinc/06/14/12/1076061412.db2.gz ATDFTMISOFUSQX-QEFWUOTMSA-N 1 0 411.506 1.743 20 0 HDADRO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1F ZINC000054994094 1076065589 /nfs/dbraw/zinc/06/55/89/1076065589.db2.gz GDDVQRVSCXOKLJ-QGZVFWFLSA-N 1 0 407.486 1.364 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000727175293 1076070142 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ZINC000730292899 1076530668 /nfs/dbraw/zinc/53/06/68/1076530668.db2.gz IJWAJAUZEKAQIT-CVDFKLHSSA-N 1 0 410.584 1.161 20 0 HDADRO CC(=O)N1CSC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000730292345 1076531153 /nfs/dbraw/zinc/53/11/53/1076531153.db2.gz ANRBSCFWUPXHGE-SFHVURJKSA-N 1 0 410.584 1.139 20 0 HDADRO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000730323491 1076540127 /nfs/dbraw/zinc/54/01/27/1076540127.db2.gz IVXNNQJKIJSGGD-SHDIAVBESA-N 1 0 409.552 1.530 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000730381323 1076553057 /nfs/dbraw/zinc/55/30/57/1076553057.db2.gz IXDOCYKQDVZNQT-AWEZNQCLSA-N 1 0 405.524 1.639 20 0 HDADRO CCN(CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000804255342 1076576927 /nfs/dbraw/zinc/57/69/27/1076576927.db2.gz CSDWOMSGQPWNBH-UHFFFAOYSA-N 1 0 405.499 1.103 20 0 HDADRO CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000730569585 1076604832 /nfs/dbraw/zinc/60/48/32/1076604832.db2.gz AKJSVTYFXNLOMN-MRXNPFEDSA-N 1 0 417.506 1.975 20 0 HDADRO COC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000730684571 1076640371 /nfs/dbraw/zinc/64/03/71/1076640371.db2.gz YHDPOCNXLWGNOC-GOSISDBHSA-N 1 0 417.510 1.432 20 0 HDADRO O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000730774080 1076650485 /nfs/dbraw/zinc/65/04/85/1076650485.db2.gz SJYVLSPJVYSGFZ-IKGGRYGDSA-N 1 0 420.897 1.524 20 0 HDADRO CN(C[C@@H]1CCCOC1)CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000730803540 1076655296 /nfs/dbraw/zinc/65/52/96/1076655296.db2.gz JZHKACOUPXXKNM-SIKLNZKXSA-N 1 0 400.523 1.889 20 0 HDADRO CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000730825198 1076663029 /nfs/dbraw/zinc/66/30/29/1076663029.db2.gz MMIJJXAEHRUCQH-JKSUJKDBSA-N 1 0 411.547 1.273 20 0 HDADRO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000730827821 1076663362 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NS(=O)(=O)c1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1Br ZINC001178615167 1126151350 /nfs/dbraw/zinc/15/13/50/1126151350.db2.gz RYOYOGWXZLUYBD-CQSZACIVSA-N 1 0 417.300 1.929 20 0 HDADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164424138 718916279 /nfs/dbraw/zinc/91/62/79/718916279.db2.gz LVIKWDFAJWAQEH-MRXNPFEDSA-N 1 0 405.829 1.652 20 0 HDADRO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164425286 718919151 /nfs/dbraw/zinc/91/91/51/718919151.db2.gz RGUFQEWAECENDS-MRXNPFEDSA-N 1 0 420.844 1.957 20 0 HDADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN([C@@H](F)Oc1cncc(Cl)n1)C2 ZINC001164434790 718970854 /nfs/dbraw/zinc/97/08/54/718970854.db2.gz VQKLDGKSNLOOEV-MCIONIFRSA-N 1 0 412.771 1.779 20 0 HDADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(C(=O)OC)nc1Cl ZINC001164618888 719014504 /nfs/dbraw/zinc/01/45/04/719014504.db2.gz UMKSUQGSONICLG-JIMOISOXSA-N 1 0 403.813 1.796 20 0 HDADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(S(=O)(=O)N(C)C)cn3)CC2)CC1 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DQGOLHAOOBOEGH-MAUKXSAKSA-N 1 0 412.556 1.857 20 0 HDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1 ZINC000674990656 1074663266 /nfs/dbraw/zinc/66/32/66/1074663266.db2.gz XWHPJKJQPJQXBD-UHFFFAOYSA-N 1 0 417.432 1.332 20 0 HDADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CN1C(=O)c2ccc(Br)cc2C1=O ZINC000766088708 1074682607 /nfs/dbraw/zinc/68/26/07/1074682607.db2.gz OZXDVTLLHMCGDB-LBPRGKRZSA-N 1 0 410.312 1.780 20 0 HDADRO COc1ccccc1N1CC[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC000675002469 1074683292 /nfs/dbraw/zinc/68/32/92/1074683292.db2.gz FDTZKHHKHPNGQH-QZTJIDSGSA-N 1 0 415.538 1.222 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)NCCCc3ccccc3)CC2)CC1 ZINC000543612112 1074684619 /nfs/dbraw/zinc/68/46/19/1074684619.db2.gz ZQZFIYXFBQWJEN-UHFFFAOYSA-N 1 0 400.567 1.612 20 0 HDADRO CCC1(CC)[C@H]([NH2+]Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)[C@H](C)[C@H]1OC ZINC000429312052 1074685210 /nfs/dbraw/zinc/68/52/10/1074685210.db2.gz ATMKXTKQCRXWNU-MORSLUCNSA-N 1 0 407.540 1.995 20 0 HDADRO 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Cc1cc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)nn1-c1ccc(C)cc1 ZINC000537287061 1074715053 /nfs/dbraw/zinc/71/50/53/1074715053.db2.gz YRYFCFWWKZJENA-UHFFFAOYSA-N 1 0 424.549 1.668 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)Nc3ccccc3N3CC[NH+](CC)CC3)CCN2C1=O ZINC000675104729 1074720654 /nfs/dbraw/zinc/72/06/54/1074720654.db2.gz JUJNYRWQZRNSMH-GOSISDBHSA-N 1 0 414.510 1.329 20 0 HDADRO CCC1(CC)[C@H]([NH2+]CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)[C@H](C)[C@H]1OC ZINC000429318456 1074721161 /nfs/dbraw/zinc/72/11/61/1074721161.db2.gz NNKKEUNPARDWKI-BURFUSLBSA-N 1 0 404.573 1.078 20 0 HDADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccn(CC(F)F)n1 ZINC000483505293 1074722692 /nfs/dbraw/zinc/72/26/92/1074722692.db2.gz PJEYZVOLZGVOEF-UHFFFAOYSA-N 1 0 408.457 1.662 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CCN2C1=O ZINC000675108145 1074723833 /nfs/dbraw/zinc/72/38/33/1074723833.db2.gz MSDAIWOWBFUMQF-WDSOQIARSA-N 1 0 413.522 1.717 20 0 HDADRO 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O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000675127374 1074733816 /nfs/dbraw/zinc/73/38/16/1074733816.db2.gz LBNNPEIUEJGSGM-KDURUIRLSA-N 1 0 414.550 1.824 20 0 HDADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C1=O ZINC000675129806 1074735588 /nfs/dbraw/zinc/73/55/88/1074735588.db2.gz SIOOHJUBLJEMRW-KRWDZBQOSA-N 1 0 416.522 1.155 20 0 HDADRO CC[NH+]1CCC(CCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000675129718 1074735926 /nfs/dbraw/zinc/73/59/26/1074735926.db2.gz HEMYZAMLJIOGLV-QGZVFWFLSA-N 1 0 416.522 1.155 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)nn1[C@@H](C)C1CC1 ZINC000541402818 1074737245 /nfs/dbraw/zinc/73/72/45/1074737245.db2.gz YJVUTFCVWACKMD-INIZCTEOSA-N 1 0 416.570 1.776 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)nn1[C@H](C)C1CC1 ZINC000542290865 1074737360 /nfs/dbraw/zinc/73/73/60/1074737360.db2.gz XTPOAEBELVHPKJ-CVEARBPZSA-N 1 0 403.527 1.718 20 0 HDADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)C2=O)cc1 ZINC000675152873 1074738384 /nfs/dbraw/zinc/73/83/84/1074738384.db2.gz UTFYLKHWIDWMKB-IBGZPJMESA-N 1 0 402.539 1.258 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)nn1-c1ccc(F)cc1F ZINC000570198685 1074739806 /nfs/dbraw/zinc/73/98/06/1074739806.db2.gz JGBFZZVYZUQXLF-UHFFFAOYSA-N 1 0 421.448 1.624 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc(C)cc3OCC[NH+](C)C)CCN2C1=O ZINC000675141709 1074741256 /nfs/dbraw/zinc/74/12/56/1074741256.db2.gz LNFKXYXEKIDXLH-INIZCTEOSA-N 1 0 403.483 1.436 20 0 HDADRO C[NH+](C)CCCN(C(=O)C1CC(OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000675144532 1074743652 /nfs/dbraw/zinc/74/36/52/1074743652.db2.gz PCHUHZUHHMMTNC-GPJFCIFZSA-N 1 0 408.564 1.949 20 0 HDADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000501647491 1074746907 /nfs/dbraw/zinc/74/69/07/1074746907.db2.gz XCIBVJFKUIVDSC-QFBILLFUSA-N 1 0 401.507 1.114 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000675175102 1074748984 /nfs/dbraw/zinc/74/89/84/1074748984.db2.gz BBHSGWJMWYDNTB-OAHLLOKOSA-N 1 0 402.948 1.792 20 0 HDADRO CON(C)C(=O)[C@H](CCSC)NC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000766095929 1074751844 /nfs/dbraw/zinc/75/18/44/1074751844.db2.gz WAGFDHIYYQHHNV-HNNXBMFYSA-N 1 0 412.560 1.721 20 0 HDADRO CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000477037928 1074753133 /nfs/dbraw/zinc/75/31/33/1074753133.db2.gz XTSFHCHMQUJYBC-KRWDZBQOSA-N 1 0 418.538 1.216 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)nn1CCCOc1ccc(F)cc1 ZINC000504030237 1074753370 /nfs/dbraw/zinc/75/33/70/1074753370.db2.gz IYBMOIPDRBASKB-INIZCTEOSA-N 1 0 417.485 1.806 20 0 HDADRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000543615593 1074753919 /nfs/dbraw/zinc/75/39/19/1074753919.db2.gz ZVOPCSGIRPBDOE-SJORKVTESA-N 1 0 402.543 1.711 20 0 HDADRO CC(C)(C)N1C[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1=O ZINC000429322282 1074754526 /nfs/dbraw/zinc/75/45/26/1074754526.db2.gz JSRFNCXWXIIIHJ-OTWHNJEPSA-N 1 0 402.539 1.568 20 0 HDADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH2+]C(C)C)C3)C2=O)cc1 ZINC000675183109 1074754776 /nfs/dbraw/zinc/75/47/76/1074754776.db2.gz PFOZLGHQZQAXQV-RBUKOAKNSA-N 1 0 400.523 1.201 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000675201127 1074756047 /nfs/dbraw/zinc/75/60/47/1074756047.db2.gz YYKVKTZOYOGABP-LJQANCHMSA-N 1 0 408.568 1.718 20 0 HDADRO COCC(C)(C)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000429244398 1074757082 /nfs/dbraw/zinc/75/70/82/1074757082.db2.gz GBEMQAJOUXLDDF-UHFFFAOYSA-N 1 0 417.959 1.530 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000477054835 1074759009 /nfs/dbraw/zinc/75/90/09/1074759009.db2.gz GXMAHIDBOIKECZ-IRXDYDNUSA-N 1 0 403.527 1.414 20 0 HDADRO O=C(NCCNS(=O)(=O)Cc1ccon1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000429324718 1074763505 /nfs/dbraw/zinc/76/35/05/1074763505.db2.gz GDBIHPZXQYXHRW-UHFFFAOYSA-N 1 0 413.544 1.002 20 0 HDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CC1 ZINC000675225003 1074763955 /nfs/dbraw/zinc/76/39/55/1074763955.db2.gz RIHVASGPPGTCLD-SFHVURJKSA-N 1 0 400.458 1.020 20 0 HDADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCc3c(F)cc(Br)cc3C2)CC1=O ZINC000675237548 1074769048 /nfs/dbraw/zinc/76/90/48/1074769048.db2.gz GAMUPHLACACQRY-CYBMUJFWSA-N 1 0 412.303 1.883 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000477064513 1074774855 /nfs/dbraw/zinc/77/48/55/1074774855.db2.gz KGRLXONVMUXSID-OAHLLOKOSA-N 1 0 406.502 1.393 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000477067347 1074777060 /nfs/dbraw/zinc/77/70/60/1074777060.db2.gz NKLGONZJFIDGEN-QFBILLFUSA-N 1 0 408.518 1.162 20 0 HDADRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000467681749 1074777517 /nfs/dbraw/zinc/77/75/17/1074777517.db2.gz JTIYPIUSPYBVFP-UHFFFAOYSA-N 1 0 405.890 1.590 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000477067898 1074778951 /nfs/dbraw/zinc/77/89/51/1074778951.db2.gz OGCGQTHFZDONIQ-AZUAARDMSA-N 1 0 404.555 1.331 20 0 HDADRO CN(C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000675274022 1074782756 /nfs/dbraw/zinc/78/27/56/1074782756.db2.gz YIZZBYULTTWASN-IBGZPJMESA-N 1 0 422.595 1.964 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000477079739 1074783466 /nfs/dbraw/zinc/78/34/66/1074783466.db2.gz CQAVDOSRCPYOPG-ZBFHGGJFSA-N 1 0 410.946 1.890 20 0 HDADRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)[NH+]1CCCC1 ZINC000448530134 1074786122 /nfs/dbraw/zinc/78/61/22/1074786122.db2.gz ULZOQRNFOKICNA-AWEZNQCLSA-N 1 0 403.449 2.401 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000477085645 1074790052 /nfs/dbraw/zinc/79/00/52/1074790052.db2.gz TULYFPJMIHSGEI-ZACQAIPSSA-N 1 0 405.543 1.158 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000477083500 1074790066 /nfs/dbraw/zinc/79/00/66/1074790066.db2.gz PWYVISCNBZBWKI-OAHLLOKOSA-N 1 0 408.930 1.471 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000477089149 1074791471 /nfs/dbraw/zinc/79/14/71/1074791471.db2.gz ZXXILYJMSXWPBW-KRWDZBQOSA-N 1 0 420.554 1.195 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000477091042 1074791477 /nfs/dbraw/zinc/79/14/77/1074791477.db2.gz BFZGAWIYIMTVLO-GJZGRUSLSA-N 1 0 412.481 1.829 20 0 HDADRO CCC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)C(=O)N1CCc2sccc2C1 ZINC000477096209 1074791835 /nfs/dbraw/zinc/79/18/35/1074791835.db2.gz GNPHORGRCFUFDQ-RDJZCZTQSA-N 1 0 422.595 1.764 20 0 HDADRO CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H]3C=CCCC3)c2)CC1 ZINC000466670340 1074794070 /nfs/dbraw/zinc/79/40/70/1074794070.db2.gz JBOSJTDSWYHRHF-INIZCTEOSA-N 1 0 420.535 1.176 20 0 HDADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444511290 1074796803 /nfs/dbraw/zinc/79/68/03/1074796803.db2.gz WFRFWTOSTQAULN-CYBMUJFWSA-N 1 0 411.478 2.177 20 0 HDADRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000582452942 1074797139 /nfs/dbraw/zinc/79/71/39/1074797139.db2.gz MESUDMYYCJQFJU-HXUWFJFHSA-N 1 0 424.549 2.426 20 0 HDADRO CC(C)(CNC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C[NH+]1CCCC1 ZINC000675317796 1074797770 /nfs/dbraw/zinc/79/77/70/1074797770.db2.gz DENMSZRGAGCIQF-QGZVFWFLSA-N 1 0 420.941 1.800 20 0 HDADRO Cc1cc(NC(=O)C2CCN(C(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)CC2)no1 ZINC000612336622 1074809810 /nfs/dbraw/zinc/80/98/10/1074809810.db2.gz WEGQVSNCLLBCGL-GOSISDBHSA-N 1 0 420.558 1.615 20 0 HDADRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC[C@H]21 ZINC000766108695 1074812931 /nfs/dbraw/zinc/81/29/31/1074812931.db2.gz KWERAVGLVFJLBA-XHDPSFHLSA-N 1 0 416.341 1.653 20 0 HDADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)Nc1ccn(Cc2ccncc2)n1 ZINC000579028397 1074815607 /nfs/dbraw/zinc/81/56/07/1074815607.db2.gz HEFORKUTTLRMKF-HXUWFJFHSA-N 1 0 406.490 2.215 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c(F)ccc(S(=O)(=O)NC4CC4)c3F)CC[C@H]21 ZINC000766114330 1074821203 /nfs/dbraw/zinc/82/12/03/1074821203.db2.gz SLVHBECDDFHEAJ-IUODEOHRSA-N 1 0 413.490 1.962 20 0 HDADRO Cc1cc(C)cc(CCNC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000509243077 1074821856 /nfs/dbraw/zinc/82/18/56/1074821856.db2.gz IIFWSYVVTOLVLN-UHFFFAOYSA-N 1 0 414.594 1.838 20 0 HDADRO CCCC[C@@H]([NH2+]CCNS(=O)(=O)c1cccs1)C(=O)Nc1cc(C)on1 ZINC000446951583 1075103454 /nfs/dbraw/zinc/10/34/54/1075103454.db2.gz HPJGMZHTXIZBGO-CYBMUJFWSA-N 1 0 400.526 2.110 20 0 HDADRO COc1ncnc(N(C)C)c1NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000429335736 1075105207 /nfs/dbraw/zinc/10/52/07/1075105207.db2.gz ZBWZYBAMEDVJRY-NRFANRHFSA-N 1 0 414.510 1.652 20 0 HDADRO CCCN(CC[NH+]1CCCCC1)C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000557631232 1075120294 /nfs/dbraw/zinc/12/02/94/1075120294.db2.gz SVBKMMBNXFFGSE-UHFFFAOYSA-N 1 0 402.499 2.107 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)C1 ZINC000675394641 1075124973 /nfs/dbraw/zinc/12/49/73/1075124973.db2.gz KHOWTXJCFRCOKD-IEBWSBKVSA-N 1 0 413.522 1.904 20 0 HDADRO Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CCCC[C@H]2CNC(N)=O)cn1 ZINC000509244395 1075124995 /nfs/dbraw/zinc/12/49/95/1075124995.db2.gz CJGRFMBKMMIPKR-HBMCJLEFSA-N 1 0 424.549 1.685 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccccc3O[C@H]3CCOC3)CC2)C1 ZINC000675401497 1075127140 /nfs/dbraw/zinc/12/71/40/1075127140.db2.gz AQWPSBCEEPYWSR-MSOLQXFVSA-N 1 0 416.522 1.031 20 0 HDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000466676532 1075129630 /nfs/dbraw/zinc/12/96/30/1075129630.db2.gz AYWZQJJLUYTNEZ-YJBOKZPZSA-N 1 0 405.462 1.380 20 0 HDADRO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N2CCC[C@H]2c2nc(C)no2)CC1 ZINC000509334913 1075134476 /nfs/dbraw/zinc/13/44/76/1075134476.db2.gz OUTPLIUBEZHHCY-HNNXBMFYSA-N 1 0 401.471 1.534 20 0 HDADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CC(CC(F)(F)F)C1 ZINC000675422505 1075139156 /nfs/dbraw/zinc/13/91/56/1075139156.db2.gz TXHCKEASPMVPKG-UHFFFAOYSA-N 1 0 400.449 1.973 20 0 HDADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000675433510 1075144349 /nfs/dbraw/zinc/14/43/49/1075144349.db2.gz UQTHVIKLYVZHFE-PBFPGSCMSA-N 1 0 422.888 1.444 20 0 HDADRO COc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2CCCOC2)[NH+]2CCCCC2)cc1 ZINC000670527157 1075151448 /nfs/dbraw/zinc/15/14/48/1075151448.db2.gz ICHDEFZMRJPTBU-YLJYHZDGSA-N 1 0 403.523 1.881 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(c3cccc(F)c3)C[C@@H]2C)C1 ZINC000429253190 1075157300 /nfs/dbraw/zinc/15/73/00/1075157300.db2.gz APDYADNZYAFEHD-GHTZIAJQSA-N 1 0 406.546 1.809 20 0 HDADRO Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1-n1cnnn1 ZINC000466679336 1075158900 /nfs/dbraw/zinc/15/89/00/1075158900.db2.gz BDJUEURVADNWCF-QFBILLFUSA-N 1 0 419.489 1.688 20 0 HDADRO C[NH+](C)CCOc1ccccc1N1CCN(S(=O)(=O)CC[C@H]2CCCO2)CC1 ZINC000675464975 1075160733 /nfs/dbraw/zinc/16/07/33/1075160733.db2.gz RAOOPKLTBAILBT-GOSISDBHSA-N 1 0 411.568 1.648 20 0 HDADRO CC(=O)NCCc1ccc(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1 ZINC000675469987 1075164648 /nfs/dbraw/zinc/16/46/48/1075164648.db2.gz QPFLHCGXXMKWEQ-SFHVURJKSA-N 1 0 417.531 1.883 20 0 HDADRO CN1C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C[NH+](C)C)Oc4ccccc43)cc2C1=O ZINC000675471282 1075165032 /nfs/dbraw/zinc/16/50/32/1075165032.db2.gz YNXFPZDRWFIVFB-CYBMUJFWSA-N 1 0 415.471 1.430 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000466681202 1075168992 /nfs/dbraw/zinc/16/89/92/1075168992.db2.gz NJOLDLMVATZKMX-APWZRJJASA-N 1 0 421.501 1.934 20 0 HDADRO C[C@@H]([NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)c1cnn(C)c1 ZINC000766143669 1075169531 /nfs/dbraw/zinc/16/95/31/1075169531.db2.gz BBTRGUAVAWRXCY-CHWSQXEVSA-N 1 0 400.526 1.558 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)CC1 ZINC000766143497 1075169545 /nfs/dbraw/zinc/16/95/45/1075169545.db2.gz DTVHRJYGGKLZFA-INIZCTEOSA-N 1 0 421.452 1.002 20 0 HDADRO COC[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(Cl)cc1 ZINC000675477385 1075169971 /nfs/dbraw/zinc/16/99/71/1075169971.db2.gz RTECMZCOKURENW-RBUKOAKNSA-N 1 0 422.957 1.382 20 0 HDADRO COC[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(Cl)cc1 ZINC000675477384 1075170043 /nfs/dbraw/zinc/17/00/43/1075170043.db2.gz RTECMZCOKURENW-OALUTQOASA-N 1 0 422.957 1.382 20 0 HDADRO CS(=O)(=O)C1CCN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000675481247 1075171002 /nfs/dbraw/zinc/17/10/02/1075171002.db2.gz ZSVNYWSDIWWSAK-UHFFFAOYSA-N 1 0 422.595 1.807 20 0 HDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C ZINC000472409904 1075171334 /nfs/dbraw/zinc/17/13/34/1075171334.db2.gz IKDMCVPMSSUEOJ-MJGOQNOKSA-N 1 0 413.522 1.966 20 0 HDADRO CS(=O)(=O)C1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000675480584 1075171409 /nfs/dbraw/zinc/17/14/09/1075171409.db2.gz OJTXGVWKXYMZTE-UHFFFAOYSA-N 1 0 408.568 1.023 20 0 HDADRO CS(=O)(=O)C1CCN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000675481475 1075171974 /nfs/dbraw/zinc/17/19/74/1075171974.db2.gz BSISEIVGYMPLID-UHFFFAOYSA-N 1 0 409.552 1.880 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)c2ccccc2O1 ZINC000675490046 1075174949 /nfs/dbraw/zinc/17/49/49/1075174949.db2.gz NGIXZCPFWLDXFK-CQSZACIVSA-N 1 0 406.280 1.967 20 0 HDADRO CN1C(=O)N(CC(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)C(=O)C12CCCCC2 ZINC000675491277 1075175202 /nfs/dbraw/zinc/17/52/02/1075175202.db2.gz ILCGYPCFCHZWRZ-INIZCTEOSA-N 1 0 414.506 1.939 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)c2ccccc2O1 ZINC000675491002 1075175608 /nfs/dbraw/zinc/17/56/08/1075175608.db2.gz HWUFEXXYFYKIFS-ROUUACIJSA-N 1 0 407.470 1.861 20 0 HDADRO CCOc1ccc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1OCC ZINC000675516178 1075181553 /nfs/dbraw/zinc/18/15/53/1075181553.db2.gz 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1075633032 /nfs/dbraw/zinc/63/30/32/1075633032.db2.gz AGWBVGOMJNVZBT-KTKAISHGSA-N 1 0 408.502 1.409 20 0 HDADRO COCC[NH+](CCOC)C1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 ZINC000568428009 1075633860 /nfs/dbraw/zinc/63/38/60/1075633860.db2.gz ZKBRTZMGJDPTQS-UHFFFAOYSA-N 1 0 419.526 1.793 20 0 HDADRO CN1CC[NH+](CC2CCN(C(=O)/C=C\c3ccc(NS(C)(=O)=O)cc3)CC2)CC1 ZINC000732107362 1075634336 /nfs/dbraw/zinc/63/43/36/1075634336.db2.gz QZOIYQVNAQIAMC-YVMONPNESA-N 1 0 420.579 1.557 20 0 HDADRO COc1cccc([C@H](CNC(=O)Cc2c(C)nc3nc(N)nn3c2C)[NH+]2CCCC2)c1 ZINC000636952372 1075636488 /nfs/dbraw/zinc/63/64/88/1075636488.db2.gz DSRXVFAMYWUZKU-IBGZPJMESA-N 1 0 423.521 1.828 20 0 HDADRO Cc1nn(C)c2ncc(NC(=O)C(=O)NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)cc12 ZINC000676659495 1075640841 /nfs/dbraw/zinc/64/08/41/1075640841.db2.gz RETIENWYUSOEPP-HNNXBMFYSA-N 1 0 421.505 1.952 20 0 HDADRO COc1ccccc1Nc1nc(N)nc(CN2CCN(c3cc[nH+]cc3OC)CC2)n1 ZINC000483214452 1075641970 /nfs/dbraw/zinc/64/19/70/1075641970.db2.gz FBBVENSVTHGCFR-UHFFFAOYSA-N 1 0 422.493 1.354 20 0 HDADRO C[NH+](C)CCCOc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000732164008 1075642673 /nfs/dbraw/zinc/64/26/73/1075642673.db2.gz QESDAINBKSPKIQ-UHFFFAOYSA-N 1 0 417.487 1.800 20 0 HDADRO COc1c[nH+]ccc1N1CCN(Cc2nc(N)nc(Nc3ccccc3C)n2)CC1 ZINC000483210095 1075648608 /nfs/dbraw/zinc/64/86/08/1075648608.db2.gz CSLDMXPZPVFUIM-UHFFFAOYSA-N 1 0 406.494 1.654 20 0 HDADRO CN(Cn1ncc(Br)c(Br)c1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732189971 1075654497 /nfs/dbraw/zinc/65/44/97/1075654497.db2.gz VURUDCZCDMNFCK-SNVBAGLBSA-N 1 0 406.122 1.894 20 0 HDADRO CN(CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732190107 1075655955 /nfs/dbraw/zinc/65/59/55/1075655955.db2.gz WMNXJLPFAGMSDA-OAHLLOKOSA-N 1 0 421.295 1.870 20 0 HDADRO CC(C)CN(C(=O)CON=C(N)C[NH+]1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000732195810 1075656956 /nfs/dbraw/zinc/65/69/56/1075656956.db2.gz PTFNUJZZAMXVTH-INIZCTEOSA-N 1 0 402.561 1.033 20 0 HDADRO COc1cc(OC)c(OC)cc1CNC(=O)CON=C(N)C[NH+]1CCCCCC1 ZINC000732195192 1075657066 /nfs/dbraw/zinc/65/70/66/1075657066.db2.gz JYWPHSGGGNAXAY-UHFFFAOYSA-N 1 0 408.499 1.703 20 0 HDADRO Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000676723294 1075659967 /nfs/dbraw/zinc/65/99/67/1075659967.db2.gz COOFNIICZFFEAP-RBUKOAKNSA-N 1 0 424.549 1.896 20 0 HDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000429459516 1075660098 /nfs/dbraw/zinc/66/00/98/1075660098.db2.gz ZBPKWDMNOCFPQP-HNNXBMFYSA-N 1 0 417.597 1.886 20 0 HDADRO CC1CC[NH+]([C@H](CNC(=O)c2cc(S(N)(=O)=O)cn2C)c2cccs2)CC1 ZINC000027575021 1075663059 /nfs/dbraw/zinc/66/30/59/1075663059.db2.gz SODVCYOLZGIPKN-MRXNPFEDSA-N 1 0 410.565 1.937 20 0 HDADRO CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1F ZINC000676730220 1075663461 /nfs/dbraw/zinc/66/34/61/1075663461.db2.gz MFOFMWFNIPTEIF-AWEZNQCLSA-N 1 0 419.544 1.738 20 0 HDADRO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C1 ZINC000732206804 1075664073 /nfs/dbraw/zinc/66/40/73/1075664073.db2.gz DFXQFTXCQBXMPH-QGZVFWFLSA-N 1 0 404.486 1.135 20 0 HDADRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000732207115 1075664506 /nfs/dbraw/zinc/66/45/06/1075664506.db2.gz QAIIKUHAONZPJV-CYBMUJFWSA-N 1 0 414.528 1.508 20 0 HDADRO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 ZINC000732207255 1075665792 /nfs/dbraw/zinc/66/57/92/1075665792.db2.gz NYQCXLMBFOGBOX-JKSUJKDBSA-N 1 0 412.490 1.995 20 0 HDADRO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)CC1 ZINC000732210191 1075667687 /nfs/dbraw/zinc/66/76/87/1075667687.db2.gz DZLNNTGNKSWHDZ-LJQANCHMSA-N 1 0 406.571 1.569 20 0 HDADRO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000732214593 1075669890 /nfs/dbraw/zinc/66/98/90/1075669890.db2.gz KTZBVNQWDZCIJG-GDBMZVCRSA-N 1 0 404.492 1.810 20 0 HDADRO C[C@H]1C[C@H]1N1C[C@H](NC(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1=O ZINC000429461318 1075672688 /nfs/dbraw/zinc/67/26/88/1075672688.db2.gz IYCKKAHMMNSTBD-OCBLOMHFSA-N 1 0 406.571 1.917 20 0 HDADRO CCOC(=O)C1=C(C[NH2+]C2(CO)CCOCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000732204860 1075675682 /nfs/dbraw/zinc/67/56/82/1075675682.db2.gz USEZVWOKVAWHIJ-QGZVFWFLSA-N 1 0 423.897 1.642 20 0 HDADRO CS(=O)(=O)CCN1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000732247704 1075679812 /nfs/dbraw/zinc/67/98/12/1075679812.db2.gz LSJHLDYHJMEDRS-UHFFFAOYSA-N 1 0 402.605 1.451 20 0 HDADRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCCC1(O)CCOCC1 ZINC000509436194 1075681984 /nfs/dbraw/zinc/68/19/84/1075681984.db2.gz ZSXKAIKKBIZWQF-UHFFFAOYSA-N 1 0 404.555 1.377 20 0 HDADRO CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCn3ccnc3)cc2Cl)CC1 ZINC000141449904 1075684141 /nfs/dbraw/zinc/68/41/41/1075684141.db2.gz QIHSNQMIVXFEJY-UHFFFAOYSA-N 1 0 418.929 1.823 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2)C1 ZINC000604389661 1075684658 /nfs/dbraw/zinc/68/46/58/1075684658.db2.gz HBCCUTNKSCZYBJ-KRWDZBQOSA-N 1 0 400.506 1.548 20 0 HDADRO CCc1ccccc1Nc1nc(N)nc(CN2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000532978367 1075684674 /nfs/dbraw/zinc/68/46/74/1075684674.db2.gz FDRBCGVFYLXJBC-UHFFFAOYSA-N 1 0 411.554 1.726 20 0 HDADRO CS[C@H]1CN(C(=O)Nc2ccncc2I)C[C@H]1[NH+](C)C ZINC000546839297 1075688464 /nfs/dbraw/zinc/68/84/64/1075688464.db2.gz MKELUAIZELJNAJ-NEPJUHHUSA-N 1 0 406.293 1.617 20 0 HDADRO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471170421 1075688486 /nfs/dbraw/zinc/68/84/86/1075688486.db2.gz SSCNEKMOPVWIKV-INIZCTEOSA-N 1 0 414.558 1.343 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000429464909 1075691522 /nfs/dbraw/zinc/69/15/22/1075691522.db2.gz FGSRDTLSJBYCCF-AWEZNQCLSA-N 1 0 404.902 1.216 20 0 HDADRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000429464735 1075691996 /nfs/dbraw/zinc/69/19/96/1075691996.db2.gz JZRRFMFHCOBJFP-GFCCVEGCSA-N 1 0 410.540 1.232 20 0 HDADRO C[C@@H](CNC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000509438098 1075694869 /nfs/dbraw/zinc/69/48/69/1075694869.db2.gz SBYJBNXDCJWRLU-OALUTQOASA-N 1 0 407.603 1.881 20 0 HDADRO CCC[NH+]1CCC(NC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC1 ZINC000486099172 1075700702 /nfs/dbraw/zinc/70/07/02/1075700702.db2.gz JQHLJFOULGVRKY-UHFFFAOYSA-N 1 0 411.554 1.914 20 0 HDADRO COc1cc2nc(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)nc(N)c2cc1OC ZINC000487094635 1075707096 /nfs/dbraw/zinc/70/70/96/1075707096.db2.gz QQPLAWYNOSLRCC-WMLDXEAASA-N 1 0 400.527 1.691 20 0 HDADRO CCCCn1c(N)c(N(C(=O)C[N@H+](C)C2(CO)CCC2)C2CCCC2)c(=O)[nH]c1=O ZINC000429260473 1075707991 /nfs/dbraw/zinc/70/79/91/1075707991.db2.gz WVLRTBUPMTYFKM-UHFFFAOYSA-N 1 0 421.542 1.454 20 0 HDADRO CCNC(=O)c1cccc(CNC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)c1 ZINC000509439093 1075713779 /nfs/dbraw/zinc/71/37/79/1075713779.db2.gz VIJJKKYVEHVCAH-UHFFFAOYSA-N 1 0 403.527 1.132 20 0 HDADRO C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000509252540 1075716001 /nfs/dbraw/zinc/71/60/01/1075716001.db2.gz ARFQHZLOAAZLIF-CABCVRRESA-N 1 0 400.570 1.352 20 0 HDADRO Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)c1 ZINC000552812031 1075716040 /nfs/dbraw/zinc/71/60/40/1075716040.db2.gz IZIOIXRYLKYIHB-INIZCTEOSA-N 1 0 407.478 1.669 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2ncn(C(C)(C)C)n2)CC1 ZINC000541506489 1075719231 /nfs/dbraw/zinc/71/92/31/1075719231.db2.gz XKKQQVVDAUEONR-UHFFFAOYSA-N 1 0 407.563 1.981 20 0 HDADRO C[NH+](C)CCCN(C(=O)c1cccc(Nc2cnccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000467627564 1075720307 /nfs/dbraw/zinc/72/03/07/1075720307.db2.gz CIOYIEROMGRCOC-SFHVURJKSA-N 1 0 417.535 1.801 20 0 HDADRO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)C2=O ZINC000490023902 1075722014 /nfs/dbraw/zinc/72/20/14/1075722014.db2.gz WAGIJDGXNDREKT-USGNIVHTSA-N 1 0 416.526 1.835 20 0 HDADRO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CC1=O ZINC000429471419 1075722626 /nfs/dbraw/zinc/72/26/26/1075722626.db2.gz GVPOKLIFQYRZEN-KBAYOESNSA-N 1 0 421.586 1.121 20 0 HDADRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000471951434 1075724964 /nfs/dbraw/zinc/72/49/64/1075724964.db2.gz DRTHOGRZNYVLDC-AWEZNQCLSA-N 1 0 424.427 1.906 20 0 HDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000509254535 1075724993 /nfs/dbraw/zinc/72/49/93/1075724993.db2.gz BKAPJVZNAYHNCC-HOTGVXAUSA-N 1 0 414.597 1.742 20 0 HDADRO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1=O ZINC000429472498 1075725795 /nfs/dbraw/zinc/72/57/95/1075725795.db2.gz QAWLGJZJKSRCAS-BHIYHBOVSA-N 1 0 419.570 1.019 20 0 HDADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2ncn(C3CCCCC3)n2)c1 ZINC000542604304 1075726391 /nfs/dbraw/zinc/72/63/91/1075726391.db2.gz BYMHKMPAYIIPGG-UHFFFAOYSA-N 1 0 414.510 1.979 20 0 HDADRO COc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000429472050 1075726719 /nfs/dbraw/zinc/72/67/19/1075726719.db2.gz 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C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)n1 ZINC000446818890 1075732105 /nfs/dbraw/zinc/73/21/05/1075732105.db2.gz QAAOPVOLXKOILG-OAHLLOKOSA-N 1 0 403.458 1.941 20 0 HDADRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1NC(=O)C(C)(C)C ZINC000429473284 1075732625 /nfs/dbraw/zinc/73/26/25/1075732625.db2.gz UYQATBCTXABQRD-INIZCTEOSA-N 1 0 417.554 1.670 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)n1 ZINC000533322284 1075732641 /nfs/dbraw/zinc/73/26/41/1075732641.db2.gz JIYPJSJWSRGYFB-LBPRGKRZSA-N 1 0 412.277 1.940 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)n1 ZINC000572621526 1075733298 /nfs/dbraw/zinc/73/32/98/1075733298.db2.gz BARGCQFPZIVJEJ-UHFFFAOYSA-N 1 0 417.363 2.102 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)n1 ZINC000556181293 1075733580 /nfs/dbraw/zinc/73/35/80/1075733580.db2.gz IYRIIOCGURQHAH-UHFFFAOYSA-N 1 0 419.445 2.225 20 0 HDADRO Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)ccc1Oc1cccnc1 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CN(Cc1ccccc1)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000732484882 1075762407 /nfs/dbraw/zinc/76/24/07/1075762407.db2.gz JTVIQRMWNQXVEW-OAQYLSRUSA-N 1 0 409.534 1.624 20 0 HDADRO COc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1OC1CCCC1 ZINC000732486076 1075763165 /nfs/dbraw/zinc/76/31/65/1075763165.db2.gz WYAATSYTNDCTHW-MRXNPFEDSA-N 1 0 404.511 1.317 20 0 HDADRO Nc1nc(=O)[nH]cc1N1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000435891344 1075773955 /nfs/dbraw/zinc/77/39/55/1075773955.db2.gz DFOGPGFMOZWVNO-UHFFFAOYSA-N 1 0 414.535 1.276 20 0 HDADRO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000142186139 1075776102 /nfs/dbraw/zinc/77/61/02/1075776102.db2.gz QLODTBYLOPZRIX-UHFFFAOYSA-N 1 0 417.554 1.249 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000804224455 1075776318 /nfs/dbraw/zinc/77/63/18/1075776318.db2.gz PYCCZJRHAKHQDO-QFIPXVFZSA-N 1 0 422.570 1.837 20 0 HDADRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc2[nH]c(=O)oc2c1 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1.889 20 0 HDADRO CN(C(=O)c1sccc1S(=O)(=O)C(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732559256 1075785539 /nfs/dbraw/zinc/78/55/39/1075785539.db2.gz JNPBDRGRRUCADW-CYBMUJFWSA-N 1 0 421.535 1.985 20 0 HDADRO COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1C ZINC000732559268 1075785664 /nfs/dbraw/zinc/78/56/64/1075785664.db2.gz KAQDJVXJSORMJI-GOSISDBHSA-N 1 0 420.554 1.675 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)Nc3cc(C(N)=O)ccc3OCC(F)F)n2)CC1 ZINC000583987330 1075785757 /nfs/dbraw/zinc/78/57/57/1075785757.db2.gz ORUHUFGWSDNQEN-UHFFFAOYSA-N 1 0 422.436 2.537 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)c3cnn(CC(=O)NC4CCCCC4)c3)n2)CC1 ZINC000428318782 1075787467 /nfs/dbraw/zinc/78/74/67/1075787467.db2.gz MNFUACXZMIWXLN-UHFFFAOYSA-N 1 0 413.526 2.048 20 0 HDADRO CC(C)(C)n1cnc(NC(=O)C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000544200792 1075789085 /nfs/dbraw/zinc/78/90/85/1075789085.db2.gz IIXRIWXKFZRBAF-UHFFFAOYSA-N 1 0 414.510 1.763 20 0 HDADRO 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C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000804243629 1075799242 /nfs/dbraw/zinc/79/92/42/1075799242.db2.gz FBIZBXOLGBVMSA-UHFFFAOYSA-N 1 0 410.559 1.739 20 0 HDADRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)([NH+](C)C)C1 ZINC000468466219 1075799278 /nfs/dbraw/zinc/79/92/78/1075799278.db2.gz HUZAEFGYXKRXJD-JTSKRJEESA-N 1 0 412.538 2.086 20 0 HDADRO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC[N@@H+](C2CCC2)C1 ZINC000551280928 1075803957 /nfs/dbraw/zinc/80/39/57/1075803957.db2.gz VUUQIWGJSYDGFT-QGZVFWFLSA-N 1 0 410.522 1.792 20 0 HDADRO CCc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1CC ZINC000487866327 1075804888 /nfs/dbraw/zinc/80/48/88/1075804888.db2.gz CDOZPADFFVKRDT-LJQANCHMSA-N 1 0 402.539 1.809 20 0 HDADRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000547752959 1075808339 /nfs/dbraw/zinc/80/83/39/1075808339.db2.gz HKNLRSKJYPVOJK-ZDUSSCGKSA-N 1 0 407.515 2.577 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 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COc1cccc2c1CCN(C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CC2 ZINC000495010031 1076004507 /nfs/dbraw/zinc/00/45/07/1076004507.db2.gz VUUPIHZNKHPNNG-UHFFFAOYSA-N 1 0 402.539 1.748 20 0 HDADRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513261360 1076004771 /nfs/dbraw/zinc/00/47/71/1076004771.db2.gz MZDXGVQHDMUHMS-TZIWHRDSSA-N 1 0 414.550 1.073 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC3CC[NH+](CC(C)C)CC3)C2)no1 ZINC000513983212 1076013719 /nfs/dbraw/zinc/01/37/19/1076013719.db2.gz MWVFYWDLSZEJJO-SFHVURJKSA-N 1 0 420.558 1.885 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)no1 ZINC000513995727 1076014316 /nfs/dbraw/zinc/01/43/16/1076014316.db2.gz ACUWALPLUFDZDB-BRWVUGGUSA-N 1 0 404.515 1.391 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)no1 ZINC000513995730 1076014513 /nfs/dbraw/zinc/01/45/13/1076014513.db2.gz ACUWALPLUFDZDB-ZACQAIPSSA-N 1 0 404.515 1.391 20 0 HDADRO 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CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)C2)no1 ZINC000514027055 1076016706 /nfs/dbraw/zinc/01/67/06/1076016706.db2.gz NNWPUWBEZZUMPT-XYJFISCASA-N 1 0 420.558 1.885 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)C2)no1 ZINC000514027052 1076016718 /nfs/dbraw/zinc/01/67/18/1076016718.db2.gz NNWPUWBEZZUMPT-JFIYKMOQSA-N 1 0 420.558 1.885 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C2)no1 ZINC000514029321 1076017020 /nfs/dbraw/zinc/01/70/20/1076017020.db2.gz PSENBGDSZARGRN-HOCLYGCPSA-N 1 0 408.547 1.741 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000108514706 1076017276 /nfs/dbraw/zinc/01/72/76/1076017276.db2.gz YFNBVNJEXIITQD-GOEBONIOSA-N 1 0 417.959 1.480 20 0 HDADRO C[C@H]([NH2+]C1(CNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CCCC1)c1ccccc1 ZINC000733267100 1076024616 /nfs/dbraw/zinc/02/46/16/1076024616.db2.gz JRGCWUJEIQBHQW-FLVLSHQESA-N 1 0 410.518 1.877 20 0 HDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000733274327 1076027254 /nfs/dbraw/zinc/02/72/54/1076027254.db2.gz XVUBOYHOEYZXKI-VGSWGCGISA-N 1 0 416.522 1.843 20 0 HDADRO C[C@@H](ON=C(N)c1cccc(C[NH+]2CCCCC2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000733304296 1076034050 /nfs/dbraw/zinc/03/40/50/1076034050.db2.gz JBIYWMGVQOGMHT-CRAIPNDOSA-N 1 0 422.551 1.211 20 0 HDADRO Cc1ccc(F)cc1NC(=O)[C@@H](C)ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O ZINC000733306223 1076034221 /nfs/dbraw/zinc/03/42/21/1076034221.db2.gz JFGQJUXVEJZFFH-GFCCVEGCSA-N 1 0 403.458 1.957 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc2)CC1 ZINC000733310534 1076036158 /nfs/dbraw/zinc/03/61/58/1076036158.db2.gz CBWPRKFUZNENKL-IRXDYDNUSA-N 1 0 410.584 1.520 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=S)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000727072472 1076037923 /nfs/dbraw/zinc/03/79/23/1076037923.db2.gz VGPVOQMNMKCVKL-UHFFFAOYSA-N 1 0 407.005 1.670 20 0 HDADRO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000727070590 1076038030 /nfs/dbraw/zinc/03/80/30/1076038030.db2.gz IZDAMTMXUDBVEO-ROUUACIJSA-N 1 0 411.660 1.571 20 0 HDADRO CCCN(C(=S)NCCNS(C)(=O)=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000727084321 1076040583 /nfs/dbraw/zinc/04/05/83/1076040583.db2.gz DJHYBUOXGRBUPD-SFHVURJKSA-N 1 0 412.625 1.787 20 0 HDADRO CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1 ZINC000733294777 1076041034 /nfs/dbraw/zinc/04/10/34/1076041034.db2.gz CCTWPBLJUAEGLJ-IAGOWNOFSA-N 1 0 410.559 1.801 20 0 HDADRO CCOC(=O)c1ccc(N2CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)nc1 ZINC000727072430 1076045754 /nfs/dbraw/zinc/04/57/54/1076045754.db2.gz SWCOTKBXVWLNQL-UHFFFAOYSA-N 1 0 407.584 1.843 20 0 HDADRO CC(C)(C)S(=O)(=O)CCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000733340938 1076046589 /nfs/dbraw/zinc/04/65/89/1076046589.db2.gz SRZVBEBZSPBQES-UHFFFAOYSA-N 1 0 410.584 1.317 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)CC1 ZINC000727106079 1076052597 /nfs/dbraw/zinc/05/25/97/1076052597.db2.gz XTUNSPDWWMAAKL-UHFFFAOYSA-N 1 0 401.504 1.307 20 0 HDADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cc(S(N)(=O)=O)ccc2F)cc1 ZINC000733371009 1076057984 /nfs/dbraw/zinc/05/79/84/1076057984.db2.gz VPTFUHSZZRRWBP-UHFFFAOYSA-N 1 0 409.483 1.386 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)Cn3c4ccccc4c(=O)[nH]c3=O)c(C)c2)CC1 ZINC000021465215 1076062838 /nfs/dbraw/zinc/06/28/38/1076062838.db2.gz DAVIFDWEEJYPST-UHFFFAOYSA-N 1 0 421.501 1.779 20 0 HDADRO COC(=O)c1nn(CN2CC[NH+](CCc3cccs3)CC2)c(=O)c2noc(C)c21 ZINC000727164137 1076065912 /nfs/dbraw/zinc/06/59/12/1076065912.db2.gz GYCSXFLKYJYKJQ-UHFFFAOYSA-N 1 0 417.491 1.359 20 0 HDADRO S=c1n(CN2CC[C@H]([NH+]3CCCC3)C2)nc(N2CCOCC2)n1C[C@@H]1CCCO1 ZINC000727169553 1076068766 /nfs/dbraw/zinc/06/87/66/1076068766.db2.gz JTFOBDHHWGHFPO-ROUUACIJSA-N 1 0 422.599 1.557 20 0 HDADRO CCc1ccc(C(=O)C(C(=S)NCCNS(C)(=O)=O)[n+]2ccccc2)cc1 ZINC000727162108 1076072567 /nfs/dbraw/zinc/07/25/67/1076072567.db2.gz YHGNCVJKQUIHJO-UHFFFAOYSA-O 1 0 406.553 1.887 20 0 HDADRO COC(=O)N1CCC[C@@H](NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000727228870 1076085266 /nfs/dbraw/zinc/08/52/66/1076085266.db2.gz VSMMFOMJNZELLT-GOSISDBHSA-N 1 0 403.527 1.961 20 0 HDADRO CCOC(=O)C1=C(CN2CC[NH+](C[C@H]3CCCO3)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000727240218 1076088088 /nfs/dbraw/zinc/08/80/88/1076088088.db2.gz GRKJPMAXGKYQGR-DNVCBOLYSA-N 1 0 418.494 1.247 20 0 HDADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)COC[C@@H]3CCCO3)CC2)cc1 ZINC000733599255 1076123331 /nfs/dbraw/zinc/12/33/31/1076123331.db2.gz ZTTHSSXHOAMJDM-FQEVSTJZSA-N 1 0 404.507 1.768 20 0 HDADRO COc1cc(C[NH2+]Cc2cccc(N3CCOC3=O)c2)cc(OC)c1OCC(N)=O ZINC000727469472 1076137025 /nfs/dbraw/zinc/13/70/25/1076137025.db2.gz UEHFBJMGUPYRMD-UHFFFAOYSA-N 1 0 415.446 1.814 20 0 HDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000733671901 1076154176 /nfs/dbraw/zinc/15/41/76/1076154176.db2.gz YZKIPIPALXUKKJ-KRWDZBQOSA-N 1 0 406.502 1.982 20 0 HDADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1 ZINC000727610188 1076180073 /nfs/dbraw/zinc/18/00/73/1076180073.db2.gz LPVDKBZGZGIOPZ-CYBMUJFWSA-N 1 0 409.462 1.085 20 0 HDADRO O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000733769506 1076200581 /nfs/dbraw/zinc/20/05/81/1076200581.db2.gz GVYIVDBHXLUVBE-OAQYLSRUSA-N 1 0 402.414 1.599 20 0 HDADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C2=O)cc1 ZINC000733770205 1076201342 /nfs/dbraw/zinc/20/13/42/1076201342.db2.gz XIOFPPRQTMSELD-OAQYLSRUSA-N 1 0 420.429 1.682 20 0 HDADRO CCOC(=O)N1CCC[C@H](C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000727714914 1076208266 /nfs/dbraw/zinc/20/82/66/1076208266.db2.gz CPTJOLOWIWKNHF-PMACEKPBSA-N 1 0 402.539 1.960 20 0 HDADRO CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)cc2S1(=O)=O ZINC000727733577 1076213591 /nfs/dbraw/zinc/21/35/91/1076213591.db2.gz BOIGBERQFLHWJG-INIZCTEOSA-N 1 0 405.520 1.942 20 0 HDADRO C[NH+](C)CCOc1ccc(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 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MFLZQXSGQXRCGP-AVRDEDQJSA-N 1 0 415.538 1.423 20 0 HDADRO O=C(COC(=O)c1sccc1S(=O)(=O)C(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000731093532 1076724247 /nfs/dbraw/zinc/72/42/47/1076724247.db2.gz JFINNWMCBGYRIY-UHFFFAOYSA-N 1 0 422.475 1.644 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000731159059 1076739209 /nfs/dbraw/zinc/73/92/09/1076739209.db2.gz CKHLZCVNODDKRX-CEXWTWQISA-N 1 0 409.644 1.658 20 0 HDADRO CCOC(=O)Cn1cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)c(-c2cnn(C)c2)n1 ZINC001205414593 1126159379 /nfs/dbraw/zinc/15/93/79/1126159379.db2.gz KLPMIAWJBGBYSZ-FQEVSTJZSA-N 1 0 411.506 1.848 20 0 HDADRO COC(=O)Cn1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)nn1 ZINC001308865240 1126168653 /nfs/dbraw/zinc/16/86/53/1126168653.db2.gz MXWVZGBPEMFKEU-QGZVFWFLSA-N 1 0 409.284 1.223 20 0 HDADRO Cc1cc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)no1 ZINC000328606669 571306813 /nfs/dbraw/zinc/30/68/13/571306813.db2.gz SJJCNOHJCJALCC-JLTOFOAXSA-N 1 0 409.450 2.205 20 0 HDADRO C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@@H]4C2)n1)CCC3)N1CCOCC1 ZINC001164403465 718839461 /nfs/dbraw/zinc/83/94/61/718839461.db2.gz JMMGJXHIYBMOHN-OAHLLOKOSA-N 1 0 414.579 1.106 20 0 HDADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164422840 718914679 /nfs/dbraw/zinc/91/46/79/718914679.db2.gz BPQVQFPCYWOAGX-MRXNPFEDSA-N 1 0 405.829 1.652 20 0 HDADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001164424121 718915410 /nfs/dbraw/zinc/91/54/10/718915410.db2.gz LOLOTYNCXXYXFP-INIZCTEOSA-N 1 0 405.829 1.652 20 0 HDADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC[C@@H]3[NH2+]C[C@@H]32)c1CN1CC[C@@H](CO)C1 ZINC001164448993 718998744 /nfs/dbraw/zinc/99/87/44/718998744.db2.gz KZXJQBHKHAKPGY-MNEFBYGVSA-N 1 0 401.555 1.821 20 0 HDADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(=O)NC4CC4)nn3)CC2)CC1 ZINC001164617555 719033244 /nfs/dbraw/zinc/03/32/44/719033244.db2.gz LXDIQMLQSWKWMA-UHFFFAOYSA-N 1 0 401.511 1.613 20 0 HDADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc(C(=O)NC)n3)CC2)CC1 ZINC001164617080 719035425 /nfs/dbraw/zinc/03/54/25/719035425.db2.gz GDNMZCWXKZYJMV-UHFFFAOYSA-N 1 0 409.918 1.734 20 0 HDADRO COc1nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc(N2CCCCCC2)n1 ZINC001164679639 719639484 /nfs/dbraw/zinc/63/94/84/719639484.db2.gz JMJGRIUVLMGJIG-UHFFFAOYSA-N 1 0 414.558 1.932 20 0 HDADRO CC(C)N(C)Cc1nn(-c2nc(Cl)cc(O[C@H]3CCOC3)n2)c2c1CC[NH2+]C2 ZINC001164680690 719651003 /nfs/dbraw/zinc/65/10/03/719651003.db2.gz HRJUHRANAMSRND-ZDUSSCGKSA-N 1 0 406.918 1.969 20 0 HDADRO O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001164700766 719884268 /nfs/dbraw/zinc/88/42/68/719884268.db2.gz KZQXMQHWYHTJCO-IPMKNSEASA-N 1 0 408.506 1.805 20 0 HDADRO NS(=O)(=O)c1cccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164705422 719909380 /nfs/dbraw/zinc/90/93/80/719909380.db2.gz BQUWBQRUYIOOMH-UHFFFAOYSA-N 1 0 408.549 1.662 20 0 HDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@H](C(=O)N5CCCCO5)[C@H]4C3)n2)CC1 ZINC001164707489 719918579 /nfs/dbraw/zinc/91/85/79/719918579.db2.gz 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Cn1nnc2c1CCN(c1ncnc3cnc(F)cc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715392 720174318 /nfs/dbraw/zinc/17/43/18/720174318.db2.gz ANIZPEYVBMDDGB-KRWDZBQOSA-N 1 0 412.473 1.509 20 0 HDADRO COC(=O)c1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(F)c1 ZINC001164717047 720177773 /nfs/dbraw/zinc/17/77/73/720177773.db2.gz JRUZBVDTJPKBFF-QGZVFWFLSA-N 1 0 418.473 1.352 20 0 HDADRO COC(=O)c1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ncc1C ZINC001164719506 720187277 /nfs/dbraw/zinc/18/72/77/720187277.db2.gz VOWRVYYHZGAIGF-GOSISDBHSA-N 1 0 414.510 1.521 20 0 HDADRO Cn1nnc2c1CCN(c1nc3ccc(Cl)nc3[nH]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714605 720192564 /nfs/dbraw/zinc/19/25/64/720192564.db2.gz HALGREUEXKMGOF-HNNXBMFYSA-N 1 0 416.917 1.956 20 0 HDADRO CC(=O)Nc1c(C)ccnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716227 720194285 /nfs/dbraw/zinc/19/42/85/720194285.db2.gz PPBGMGLQCHIKPC-GOSISDBHSA-N 1 0 413.526 1.693 20 0 HDADRO CCSc1cncc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164718317 720199600 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403.918 1.918 20 0 HDADRO COC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824478 720291764 /nfs/dbraw/zinc/29/17/64/720291764.db2.gz RAOYSRVJAMJKAQ-HOTGVXAUSA-N 1 0 421.929 1.828 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C(N)=O)c(Cl)cn2)CC1 ZINC001164827934 720297013 /nfs/dbraw/zinc/29/70/13/720297013.db2.gz YOFBWOONQHWBJC-IRXDYDNUSA-N 1 0 405.930 1.745 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc(Cl)cc2C(N)=O)CC1 ZINC001164827381 720297989 /nfs/dbraw/zinc/29/79/89/720297989.db2.gz XJPYEVCBAPWSAP-DLBZAZTESA-N 1 0 405.930 1.745 20 0 HDADRO COC(=O)c1cc(OC)cnc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164822008 720308942 /nfs/dbraw/zinc/30/89/42/720308942.db2.gz MHMCIEFKSYDHTL-MOPGFXCFSA-N 1 0 416.522 1.788 20 0 HDADRO Cn1c(=O)ccc2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc21 ZINC001164829760 720320602 /nfs/dbraw/zinc/32/06/02/720320602.db2.gz NNRQBPHGMMDIAM-OALUTQOASA-N 1 0 409.534 1.845 20 0 HDADRO Cc1cn(-c2ccc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nn2)cn1 ZINC001164833712 720329380 /nfs/dbraw/zinc/32/93/80/720329380.db2.gz XMVIJHUSTCYWSF-RBUKOAKNSA-N 1 0 409.538 1.882 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(C(=O)NC3CC3)nn2)CC1 ZINC001164822409 720345310 /nfs/dbraw/zinc/34/53/10/720345310.db2.gz DPAIHPLIQPORTE-OALUTQOASA-N 1 0 412.538 1.280 20 0 HDADRO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]21 ZINC001164826301 720419947 /nfs/dbraw/zinc/41/99/47/720419947.db2.gz PCZMGRZVUJQIRL-QRVBRYPASA-N 1 0 401.555 1.447 20 0 HDADRO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]21 ZINC001164826304 720420499 /nfs/dbraw/zinc/42/04/99/720420499.db2.gz PCZMGRZVUJQIRL-QYZOEREBSA-N 1 0 401.555 1.447 20 0 HDADRO CC(C)[N@H+]1[C@@H]2CCN(c3ncccc3S(N)(=O)=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834936 720515324 /nfs/dbraw/zinc/51/53/24/720515324.db2.gz INLFEXSBGPMMPB-IXDOHACOSA-N 1 0 404.540 1.303 20 0 HDADRO 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CCOC(=O)c1cccc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164869400 721269563 /nfs/dbraw/zinc/26/95/63/721269563.db2.gz NMUNXRWVTMCBLV-UHFFFAOYSA-N 1 0 404.511 1.265 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4c(F)cccc43)CC2)C1 ZINC001164868551 721270412 /nfs/dbraw/zinc/27/04/12/721270412.db2.gz BQPPHFJDAGPCQK-UHFFFAOYSA-N 1 0 401.486 1.776 20 0 HDADRO C[NH+]1CCN(c2ccc(N3Cc4cncn4C[C@H](COc4cccnc4)C3)nn2)CC1 ZINC001164765296 721272448 /nfs/dbraw/zinc/27/24/48/721272448.db2.gz JWADHDQJIQEUTI-GOSISDBHSA-N 1 0 420.521 1.535 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3cnnc(Cl)c3)CC2)C1 ZINC001164868539 721273811 /nfs/dbraw/zinc/27/38/11/721273811.db2.gz BBCLSKFMCSRKCY-UHFFFAOYSA-N 1 0 417.888 1.682 20 0 HDADRO Cc1[nH]c2ncnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c2c1C ZINC001164872388 721274152 /nfs/dbraw/zinc/27/41/52/721274152.db2.gz CGKCQOLHEABHSA-UHFFFAOYSA-N 1 0 400.527 1.582 20 0 HDADRO CC(C)COc1cncc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164875730 721287489 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COIDGRCHOPGLRO-YWZLYKJASA-N 1 0 407.946 1.599 20 0 HDADRO CCOC(=O)Cc1cccnc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164884968 721390831 /nfs/dbraw/zinc/39/08/31/721390831.db2.gz BEYSDCUSHDAFPR-REWPJTCUSA-N 1 0 416.566 1.953 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5cnc(F)cc54)C3)O2)CC1 ZINC001164890551 721397735 /nfs/dbraw/zinc/39/77/35/721397735.db2.gz OEYXLGGLJZIBEA-IERDGZPVSA-N 1 0 400.502 1.929 20 0 HDADRO Cn1cnc2c1nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164892004 721402355 /nfs/dbraw/zinc/40/23/55/721402355.db2.gz XWQMVMXIRSMKTP-FOIQADDNSA-N 1 0 419.961 1.782 20 0 HDADRO CNC(=O)c1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164889796 721420656 /nfs/dbraw/zinc/42/06/56/721420656.db2.gz RMFKXUGQVLOENN-HRAATJIYSA-N 1 0 421.973 1.860 20 0 HDADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccnc(N5CCOCC5)n4)C3)O2)CC1 ZINC001164887090 721421739 /nfs/dbraw/zinc/42/17/39/721421739.db2.gz KWDOWOBWIPGWER-SIKLNZKXSA-N 1 0 416.570 1.079 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4ncn5C4CC4)C3)O2)CC1 ZINC001164888667 721437387 /nfs/dbraw/zinc/43/73/87/721437387.db2.gz ABCKCQOUCGIYBH-GCJKJVERSA-N 1 0 411.554 1.927 20 0 HDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)nccc4C(N)=O)C3)O2)CC1 ZINC001164893102 721446270 /nfs/dbraw/zinc/44/62/70/721446270.db2.gz JAAIWBOVADSTHN-YWZLYKJASA-N 1 0 407.946 1.599 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(C(N)=O)nc(C5CC5)n4)C3)O2)CC1 ZINC001164892757 721453624 /nfs/dbraw/zinc/45/36/24/721453624.db2.gz XVZUARKFIRYCCL-VGOFRKELSA-N 1 0 414.554 1.218 20 0 HDADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(N)=O)nn1)CC2 ZINC001164784475 721454113 /nfs/dbraw/zinc/45/41/13/721454113.db2.gz FSAASRBYXQHFPL-KRWDZBQOSA-N 1 0 403.527 1.309 20 0 HDADRO CCOCc1cnc(Cl)nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164799002 721517481 /nfs/dbraw/zinc/51/74/81/721517481.db2.gz VQFKBIMHAYGCHA-UHFFFAOYSA-N 1 0 405.934 1.631 20 0 HDADRO Cc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc(-c2ccccn2)n1 ZINC001164797151 721518733 /nfs/dbraw/zinc/51/87/33/721518733.db2.gz HHLMRCLNFLTEIM-UHFFFAOYSA-N 1 0 404.522 1.811 20 0 HDADRO COc1ccc2nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c(C)nc2c1 ZINC001164795177 721520078 /nfs/dbraw/zinc/52/00/78/721520078.db2.gz KZZJTPNYMUJIHY-UHFFFAOYSA-N 1 0 407.522 1.911 20 0 HDADRO Cc1nc(-n2cncn2)cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164810257 721587465 /nfs/dbraw/zinc/58/74/65/721587465.db2.gz VNTHTDJQEWYNQA-LVCYWYKZSA-N 1 0 406.494 1.629 20 0 HDADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nnc(Cl)c3c2N(C)CCO3)CC1 ZINC001165011280 721743538 /nfs/dbraw/zinc/74/35/38/721743538.db2.gz UHHFERSKNYIRTN-UHFFFAOYSA-N 1 0 408.934 1.482 20 0 HDADRO O=C(c1cnccn1)N1CCOC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)C1 ZINC001165012627 721759417 /nfs/dbraw/zinc/75/94/17/721759417.db2.gz GCIKIDWYCFYXLG-UHFFFAOYSA-N 1 0 422.533 1.979 20 0 HDADRO Cc1nc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)cc(N2CCCC2)[nH+]1 ZINC001164911608 721770499 /nfs/dbraw/zinc/77/04/99/721770499.db2.gz HTDRYRFFEUITJS-QHCPKHFHSA-N 1 0 424.549 1.888 20 0 HDADRO c1cn(-c2cc[nH+]c(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)c2)cn1 ZINC001164913203 721797674 /nfs/dbraw/zinc/79/76/74/721797674.db2.gz BBYKRUUJHMICJW-QFIPXVFZSA-N 1 0 406.490 1.770 20 0 HDADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(N)(=O)=O)nn3)C[C@@H]21 ZINC001165026379 721828598 /nfs/dbraw/zinc/82/85/98/721828598.db2.gz PGFOJBUSDUYRAZ-BHYGNILZSA-N 1 0 402.524 1.256 20 0 HDADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc2scnc2c(N2CCOCC2)n1 ZINC001164926085 721856494 /nfs/dbraw/zinc/85/64/94/721856494.db2.gz HDHDSTMFJDNMJE-HUUCEWRRSA-N 1 0 403.556 1.138 20 0 HDADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC001164932954 721878418 /nfs/dbraw/zinc/87/84/18/721878418.db2.gz KJHDBJBJWMBQSP-MOPGFXCFSA-N 1 0 407.584 1.471 20 0 HDADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164945991 721977162 /nfs/dbraw/zinc/97/71/62/721977162.db2.gz IEENNBVWONMMDR-UHFFFAOYSA-N 1 0 421.545 1.889 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CC[C@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)nn2)CC1 ZINC001164963053 722032707 /nfs/dbraw/zinc/03/27/07/722032707.db2.gz ZPNQSQJGLQLQEQ-GCJKJVERSA-N 1 0 407.522 1.156 20 0 HDADRO O=C([C@@H]1COC2(C1)CCN(c1ncccc1C[NH+]1CCCC1)CC2)N1CCOCC1 ZINC001164956848 722045750 /nfs/dbraw/zinc/04/57/50/722045750.db2.gz DIWJOKNZFPGIGV-FQEVSTJZSA-N 1 0 414.550 1.912 20 0 HDADRO C[N@H+](Cc1ccc(N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)nc1)C1CC1 ZINC001164956599 722045861 /nfs/dbraw/zinc/04/58/61/722045861.db2.gz BKYQUSPFPZVZGN-LJQANCHMSA-N 1 0 414.550 1.910 20 0 HDADRO CCOC(=O)C1CCN(c2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nn2)CC1 ZINC001164966660 722073845 /nfs/dbraw/zinc/07/38/45/722073845.db2.gz FPACTVWKPFSHMN-KDURUIRLSA-N 1 0 415.538 1.556 20 0 HDADRO NC(=O)c1ncc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973104 722110000 /nfs/dbraw/zinc/11/00/00/722110000.db2.gz GOYWOWTWMYDAQL-GJZGRUSLSA-N 1 0 402.886 1.351 20 0 HDADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164983071 722126135 /nfs/dbraw/zinc/12/61/35/722126135.db2.gz XXGRPZCUOGYKBN-SJLPKXTDSA-N 1 0 422.489 1.867 20 0 HDADRO CNS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164973301 722139812 /nfs/dbraw/zinc/13/98/12/722139812.db2.gz BRQSZPVQUBXYGW-MJGOQNOKSA-N 1 0 417.535 1.112 20 0 HDADRO O=C(NC1CC1)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1 ZINC001164984914 722147912 /nfs/dbraw/zinc/14/79/12/722147912.db2.gz YJAKTWMCEGGFFL-YLJYHZDGSA-N 1 0 408.506 1.491 20 0 HDADRO CON(C)C(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164978935 722149044 /nfs/dbraw/zinc/14/90/44/722149044.db2.gz LCDQANCKPPHASV-UXHICEINSA-N 1 0 411.506 1.837 20 0 HDADRO Cc1nc(CN2CCO[C@H]3CCN(c4ncc5c(n4)CC[NH2+]C5)CC[C@@H]32)cs1 ZINC001164988451 722177727 /nfs/dbraw/zinc/17/77/27/722177727.db2.gz RIDYHXNRTXZHRF-OALUTQOASA-N 1 0 400.552 1.757 20 0 HDADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164993372 722187430 /nfs/dbraw/zinc/18/74/30/722187430.db2.gz ZBKXAALFPKNYCY-SFHVURJKSA-N 1 0 416.570 1.330 20 0 HDADRO CCOC(=O)c1c(C)ncnc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002898 722253697 /nfs/dbraw/zinc/25/36/97/722253697.db2.gz WUAVEBDQWXKPGQ-UHFFFAOYSA-N 1 0 402.499 1.647 20 0 HDADRO CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429047825 1073467660 /nfs/dbraw/zinc/46/76/60/1073467660.db2.gz ZDAPFCLBHIFXLA-QFIPXVFZSA-N 1 0 402.539 1.900 20 0 HDADRO O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000429054962 1073483330 /nfs/dbraw/zinc/48/33/30/1073483330.db2.gz LFRAOZYUFCRBKP-CQSZACIVSA-N 1 0 412.450 1.929 20 0 HDADRO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766015919 1073599635 /nfs/dbraw/zinc/59/96/35/1073599635.db2.gz WIYILTMYRNQEIM-PBHICJAKSA-N 1 0 420.553 1.258 20 0 HDADRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673660632 1073615780 /nfs/dbraw/zinc/61/57/80/1073615780.db2.gz ASICIXAFSVHVQK-IRXDYDNUSA-N 1 0 401.511 1.281 20 0 HDADRO CN(C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673668943 1073622386 /nfs/dbraw/zinc/62/23/86/1073622386.db2.gz CVKUEKAJXBTYLR-GHTZIAJQSA-N 1 0 419.614 1.978 20 0 HDADRO CN(C(=O)C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670023 1073625349 /nfs/dbraw/zinc/62/53/49/1073625349.db2.gz OIMLDRLBUPUULR-PKTZIBPZSA-N 1 0 414.594 1.904 20 0 HDADRO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000673670628 1073626854 /nfs/dbraw/zinc/62/68/54/1073626854.db2.gz HWSHLNXUKXOAEM-WBVHZDCISA-N 1 0 402.495 1.864 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)C1 ZINC000673682368 1073638160 /nfs/dbraw/zinc/63/81/60/1073638160.db2.gz YTLXQTCTZAWJJX-ICSRJNTNSA-N 1 0 423.517 1.910 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)C1 ZINC000673682369 1073638361 /nfs/dbraw/zinc/63/83/61/1073638361.db2.gz YTLXQTCTZAWJJX-QUCCMNQESA-N 1 0 423.517 1.910 20 0 HDADRO O=C(NCCC1CCS(=O)(=O)CC1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000509127102 1073644769 /nfs/dbraw/zinc/64/47/69/1073644769.db2.gz OTVNZHRFMZLLLI-UHFFFAOYSA-N 1 0 415.600 1.783 20 0 HDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1 ZINC000673703214 1073644859 /nfs/dbraw/zinc/64/48/59/1073644859.db2.gz ZCIVOKREGXOKBD-KRWDZBQOSA-N 1 0 400.589 1.612 20 0 HDADRO O=S(=O)(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673697433 1073646966 /nfs/dbraw/zinc/64/69/66/1073646966.db2.gz ZSNNJSZGNRTGCO-UHFFFAOYSA-N 1 0 405.871 1.426 20 0 HDADRO CNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001299285403 1073650952 /nfs/dbraw/zinc/65/09/52/1073650952.db2.gz OBGPFELJEKPUEP-QGZVFWFLSA-N 1 0 412.542 1.210 20 0 HDADRO CNC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001299285490 1073652829 /nfs/dbraw/zinc/65/28/29/1073652829.db2.gz PHEIJXMXGZSHOS-UHFFFAOYSA-N 1 0 414.558 1.456 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000673729482 1073662280 /nfs/dbraw/zinc/66/22/80/1073662280.db2.gz LKUQQTVOCMYPPB-RDJZCZTQSA-N 1 0 400.516 1.947 20 0 HDADRO O=C(Cn1cc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cn1)NC1CCCCC1 ZINC000673738084 1073670470 /nfs/dbraw/zinc/67/04/70/1073670470.db2.gz PYQLJMRZFDGDSI-HXUWFJFHSA-N 1 0 417.554 1.659 20 0 HDADRO COC(=O)C[C@@](C)([NH2+]C[C@H](O)Cn1c(=O)onc1-c1ccccc1)c1ccccn1 ZINC000509129308 1073679490 /nfs/dbraw/zinc/67/94/90/1073679490.db2.gz YMBHBBLTEANXCJ-HRAATJIYSA-N 1 0 412.446 1.327 20 0 HDADRO O=C(NC[C@H]1CS(=O)(=O)CCO1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000509134214 1073691740 /nfs/dbraw/zinc/69/17/40/1073691740.db2.gz CGEWWKWXAXQYJF-FPOVZHCZSA-N 1 0 421.563 1.498 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000673757100 1073692384 /nfs/dbraw/zinc/69/23/84/1073692384.db2.gz IQLCIKDFIXTRNC-QGZVFWFLSA-N 1 0 416.547 1.869 20 0 HDADRO CCS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000429126562 1073697466 /nfs/dbraw/zinc/69/74/66/1073697466.db2.gz HWIHZKOBUCNEPN-QFBILLFUSA-N 1 0 408.568 1.478 20 0 HDADRO C[C@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H]1OCCc2sccc21 ZINC000429127321 1073705095 /nfs/dbraw/zinc/70/50/95/1073705095.db2.gz LKCOFHXCLPQJLG-RNODOKPDSA-N 1 0 403.504 1.521 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000673774412 1073706961 /nfs/dbraw/zinc/70/69/61/1073706961.db2.gz BADQKBWITLGEKA-MSOLQXFVSA-N 1 0 417.554 1.507 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000673769976 1073714319 /nfs/dbraw/zinc/71/43/19/1073714319.db2.gz NTZCFDGDXOMECF-KRWDZBQOSA-N 1 0 408.568 1.716 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000673779141 1073735310 /nfs/dbraw/zinc/73/53/10/1073735310.db2.gz XLYAGEVHMCNUPK-XLIONFOSSA-N 1 0 410.522 1.831 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000673789529 1073743680 /nfs/dbraw/zinc/74/36/80/1073743680.db2.gz YGGUSPKHSVVBMF-KRWDZBQOSA-N 1 0 410.518 1.940 20 0 HDADRO C[C@H](CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)[N@H+](C)Cc1ccccc1 ZINC000673789176 1073744074 /nfs/dbraw/zinc/74/40/74/1073744074.db2.gz PMSAAFPUKFYEIB-MRXNPFEDSA-N 1 0 408.502 1.938 20 0 HDADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000673800837 1073749625 /nfs/dbraw/zinc/74/96/25/1073749625.db2.gz CHZZBRUJOPSZCH-TZIWHRDSSA-N 1 0 405.564 1.925 20 0 HDADRO C[C@@H]1CN(C(=O)C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000673802075 1073750850 /nfs/dbraw/zinc/75/08/50/1073750850.db2.gz ILRUHIJJLIXPCJ-RBUKOAKNSA-N 1 0 417.550 1.810 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000501215104 1073764396 /nfs/dbraw/zinc/76/43/96/1073764396.db2.gz AQXRJEPXFMHBHW-CJNGLKHVSA-N 1 0 400.545 1.539 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 ZINC000501240466 1073766591 /nfs/dbraw/zinc/76/65/91/1073766591.db2.gz VQFHNWVGNSHBIL-MRXNPFEDSA-N 1 0 420.579 1.590 20 0 HDADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000509154489 1073775179 /nfs/dbraw/zinc/77/51/79/1073775179.db2.gz RKEUTCUEDAPBJM-RBUKOAKNSA-N 1 0 409.552 1.354 20 0 HDADRO O=C(N[C@H](CCCO)c1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000509154496 1073775744 /nfs/dbraw/zinc/77/57/44/1073775744.db2.gz OXTKTULFUKRDAE-NJDAHSKKSA-N 1 0 417.550 1.501 20 0 HDADRO Cc1c(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc(Br)cc1S(N)(=O)=O ZINC000673839126 1073803381 /nfs/dbraw/zinc/80/33/81/1073803381.db2.gz WVAITMLISCAXCA-NSHDSACASA-N 1 0 418.357 1.865 20 0 HDADRO CN(C(=O)CCC(=O)Nc1nnc(C2CC2)o1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673837216 1073811011 /nfs/dbraw/zinc/81/10/11/1073811011.db2.gz GUINSPLLVGDVOF-INIZCTEOSA-N 1 0 404.515 1.293 20 0 HDADRO 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O=C(Nc1cccnc1N1CCCCC1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000509203223 1074090824 /nfs/dbraw/zinc/09/08/24/1074090824.db2.gz OVBQKZHUBDRMQP-UHFFFAOYSA-N 1 0 415.538 1.581 20 0 HDADRO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1COc2ccccc21 ZINC000543557070 1074094480 /nfs/dbraw/zinc/09/44/80/1074094480.db2.gz IXNHKIFTXHPXMN-SJLPKXTDSA-N 1 0 402.539 1.200 20 0 HDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000543557006 1074094546 /nfs/dbraw/zinc/09/45/46/1074094546.db2.gz MNWDCFYMNFGRAZ-UHFFFAOYSA-N 1 0 422.551 1.302 20 0 HDADRO CCCCCn1nc(C)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000674038952 1074109641 /nfs/dbraw/zinc/10/96/41/1074109641.db2.gz HCMDCTVFQDDSLH-SFHVURJKSA-N 1 0 404.559 1.559 20 0 HDADRO Cn1cccc1C(=O)N1CCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000674037557 1074117358 /nfs/dbraw/zinc/11/73/58/1074117358.db2.gz JMTSLHCPFIITEA-UHFFFAOYSA-N 1 0 401.486 1.764 20 0 HDADRO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c1 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/nfs/dbraw/zinc/14/85/80/1074148580.db2.gz IRUMWJULHZYECH-GDBMZVCRSA-N 1 0 409.556 1.926 20 0 HDADRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000509214025 1074152462 /nfs/dbraw/zinc/15/24/62/1074152462.db2.gz WWMUCYUFGFWNRH-HUUCEWRRSA-N 1 0 401.554 1.073 20 0 HDADRO CC[NH+](CC)CCN(C(=O)Cc1ccc(O)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000509217192 1074154513 /nfs/dbraw/zinc/15/45/13/1074154513.db2.gz IVWLSLURVKMBMV-HNNXBMFYSA-N 1 0 402.944 1.946 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)Nc3ccccc3S(C)(=O)=O)CC2)CC1 ZINC000543576912 1074156060 /nfs/dbraw/zinc/15/60/60/1074156060.db2.gz UOLZFCPDACWWRW-UHFFFAOYSA-N 1 0 408.568 1.972 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 ZINC000674055997 1074156966 /nfs/dbraw/zinc/15/69/66/1074156966.db2.gz BSFQGHAYUIHLLT-NRFANRHFSA-N 1 0 417.510 1.859 20 0 HDADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccnc(O[C@H]2CCOC2)c1 ZINC000543578061 1074159952 /nfs/dbraw/zinc/15/99/52/1074159952.db2.gz 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ZINC000674778547 1074553851 /nfs/dbraw/zinc/55/38/51/1074553851.db2.gz LCZVJSPOKOKDGP-IBGZPJMESA-N 1 0 404.555 1.988 20 0 HDADRO COCC[NH+](CCOC)C1CCN(C(=O)c2ccc(-n3nnnc3C)cc2)CC1 ZINC001128822031 1074556470 /nfs/dbraw/zinc/55/64/70/1074556470.db2.gz DAGWKDMGOHMPOT-UHFFFAOYSA-N 1 0 402.499 1.170 20 0 HDADRO CC(C)(C)n1nnnc1CON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000766068351 1074563930 /nfs/dbraw/zinc/56/39/30/1074563930.db2.gz DFFYGKWAMCWLCN-UHFFFAOYSA-N 1 0 400.531 1.634 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CCN(c2cccs2)CC1 ZINC000674783766 1074564427 /nfs/dbraw/zinc/56/44/27/1074564427.db2.gz PXWZDSOAICVQBH-SFHVURJKSA-N 1 0 407.584 1.423 20 0 HDADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000674790434 1074567663 /nfs/dbraw/zinc/56/76/63/1074567663.db2.gz GOMIFKZTVKKQRW-INIZCTEOSA-N 1 0 411.572 1.202 20 0 HDADRO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000674790393 1074567671 /nfs/dbraw/zinc/56/76/71/1074567671.db2.gz GHOYYCLHNRVMIF-APWZRJJASA-N 1 0 419.551 1.430 20 0 HDADRO C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000674800619 1074574282 /nfs/dbraw/zinc/57/42/82/1074574282.db2.gz KYIWWFMPYMPXKJ-WMZOPIPTSA-N 1 0 411.543 1.474 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000674800731 1074574594 /nfs/dbraw/zinc/57/45/94/1074574594.db2.gz OPODJWOWQJZDTM-KRWDZBQOSA-N 1 0 403.914 1.866 20 0 HDADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000674808871 1074575510 /nfs/dbraw/zinc/57/55/10/1074575510.db2.gz KYIYUBAQZQOOBX-IRXDYDNUSA-N 1 0 419.551 1.210 20 0 HDADRO COCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)ccc1=O ZINC000674811671 1074575929 /nfs/dbraw/zinc/57/59/29/1074575929.db2.gz OAYLFWIWIPXRKV-GOSISDBHSA-N 1 0 415.490 1.516 20 0 HDADRO CS(=O)(=O)CC1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000429241306 1074587322 /nfs/dbraw/zinc/58/73/22/1074587322.db2.gz ZEJLTFMHQZRSKG-UHFFFAOYSA-N 1 0 407.580 1.655 20 0 HDADRO Cc1c(C(=O)Nc2ncnn2-c2ccccc2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000674890747 1074597827 /nfs/dbraw/zinc/59/78/27/1074597827.db2.gz BRJJXSAYANOWMK-UHFFFAOYSA-N 1 0 414.473 1.819 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CCN(c4c(F)cccc4F)C3)CC2)C1 ZINC000674877382 1074599621 /nfs/dbraw/zinc/59/96/21/1074599621.db2.gz RBDNZWLZIZJHTC-IRXDYDNUSA-N 1 0 407.509 1.965 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3)CC2)C1 ZINC000674877380 1074599664 /nfs/dbraw/zinc/59/96/64/1074599664.db2.gz RBDNZWLZIZJHTC-IAGOWNOFSA-N 1 0 407.509 1.965 20 0 HDADRO CCC(=O)N1CCC([NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC000674909160 1074615186 /nfs/dbraw/zinc/61/51/86/1074615186.db2.gz JDXULAIQYGMTMZ-SFHVURJKSA-N 1 0 409.552 1.635 20 0 HDADRO COCC[N@H+](C)CCOc1cccc(CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000674922679 1074622285 /nfs/dbraw/zinc/62/22/85/1074622285.db2.gz PUDGCXXZQDEJMM-NHCUHLMSSA-N 1 0 421.538 1.733 20 0 HDADRO COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000674926554 1074624060 /nfs/dbraw/zinc/62/40/60/1074624060.db2.gz CIPQXSIEUFFWIM-QZTJIDSGSA-N 1 0 401.555 1.742 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CCN2C1=O ZINC000675083145 1074699546 /nfs/dbraw/zinc/69/95/46/1074699546.db2.gz DNFQYTBEJXHVRL-CVEARBPZSA-N 1 0 403.483 1.485 20 0 HDADRO CCc1ccc([C@@H](CNC(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)[NH+](C)C)cc1 ZINC000675084414 1074700827 /nfs/dbraw/zinc/70/08/27/1074700827.db2.gz WNJGCTNAOMEMIZ-QZTJIDSGSA-N 1 0 401.511 1.530 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000675087626 1074702902 /nfs/dbraw/zinc/70/29/02/1074702902.db2.gz SZWJKLNJMXYVDL-HIFRSBDPSA-N 1 0 409.449 1.170 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000675090443 1074713601 /nfs/dbraw/zinc/71/36/01/1074713601.db2.gz GOCUJBTUVAGWST-KRWDZBQOSA-N 1 0 405.539 1.787 20 0 HDADRO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675103582 1074719645 /nfs/dbraw/zinc/71/96/45/1074719645.db2.gz XPZGRCWBCXGHSJ-DLBZAZTESA-N 1 0 422.961 1.019 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)CCN2C1=O ZINC000675106758 1074721479 /nfs/dbraw/zinc/72/14/79/1074721479.db2.gz NMHKOPCIGRYXHM-AEFFLSMTSA-N 1 0 401.511 1.575 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)CCN2C1=O ZINC000675106761 1074721587 /nfs/dbraw/zinc/72/15/87/1074721587.db2.gz NMHKOPCIGRYXHM-WMZOPIPTSA-N 1 0 401.511 1.575 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CCN2C1=O ZINC000675108370 1074723379 /nfs/dbraw/zinc/72/33/79/1074723379.db2.gz TWFYYOOKHWQLBN-UHOSZYNNSA-N 1 0 413.522 1.575 20 0 HDADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)C1=O ZINC000675124682 1074725467 /nfs/dbraw/zinc/72/54/67/1074725467.db2.gz QKXJEASRKKAJGO-QGZVFWFLSA-N 1 0 418.538 1.542 20 0 HDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cncn2)C[N@@H+]1Cc1ccccc1 ZINC000675127039 1074731022 /nfs/dbraw/zinc/73/10/22/1074731022.db2.gz YXYSGCCBWJNMSC-WMZOPIPTSA-N 1 0 404.474 1.985 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)nn1C1CCCCC1 ZINC000555015344 1074739812 /nfs/dbraw/zinc/73/98/12/1074739812.db2.gz TVEGKSAEXRDFRM-UHFFFAOYSA-N 1 0 417.554 2.396 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)nn1-c1ccc(C)cc1 ZINC000539483627 1074740223 /nfs/dbraw/zinc/74/02/23/1074740223.db2.gz SMEOJMVGVRFVBG-UHFFFAOYSA-N 1 0 413.522 1.779 20 0 HDADRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(O)c2)cc1S(=O)(=O)N(C)C ZINC000429323702 1074745905 /nfs/dbraw/zinc/74/59/05/1074745905.db2.gz YAQMXMZTLMAZNK-CYBMUJFWSA-N 1 0 407.492 1.940 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)cn1 ZINC000675164767 1074746631 /nfs/dbraw/zinc/74/66/31/1074746631.db2.gz IOIXCBUPOCLMTD-UHFFFAOYSA-N 1 0 404.902 1.974 20 0 HDADRO COC(=O)Cn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)n1 ZINC000537255295 1074748647 /nfs/dbraw/zinc/74/86/47/1074748647.db2.gz SSBUBRJSTPCWTI-ZWKOTPCHSA-N 1 0 420.558 1.857 20 0 HDADRO COC(=O)Cn1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)n1 ZINC000537255293 1074748825 /nfs/dbraw/zinc/74/88/25/1074748825.db2.gz SSBUBRJSTPCWTI-ROUUACIJSA-N 1 0 420.558 1.857 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)nn1C1CCCCC1 ZINC000579676495 1074750752 /nfs/dbraw/zinc/75/07/52/1074750752.db2.gz SFDQCHRHQLSTDR-IBGZPJMESA-N 1 0 418.586 2.023 20 0 HDADRO O=C(NCCCc1ccc2c(c1)OCCO2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675191607 1074753030 /nfs/dbraw/zinc/75/30/30/1074753030.db2.gz SVYIWSWYKARGLX-LJQANCHMSA-N 1 0 418.538 1.096 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000675193330 1074753362 /nfs/dbraw/zinc/75/33/62/1074753362.db2.gz BSSYCLUIDYANKJ-SJORKVTESA-N 1 0 408.547 1.869 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000675194080 1074753558 /nfs/dbraw/zinc/75/35/58/1074753558.db2.gz KEVKMODEUYKFFG-DLBZAZTESA-N 1 0 404.511 1.485 20 0 HDADRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccn(CCc4ccncc4)n3)CC2)CC1 ZINC000469277968 1074765161 /nfs/dbraw/zinc/76/51/61/1074765161.db2.gz LRWROYWJTLUTMQ-UHFFFAOYSA-N 1 0 424.549 2.182 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCc2ccc(C(=O)OC)cc2)CC1 ZINC000509315732 1074766442 /nfs/dbraw/zinc/76/64/42/1074766442.db2.gz UEOWZYIOZARYSV-UHFFFAOYSA-N 1 0 404.511 1.211 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000477061884 1074772215 /nfs/dbraw/zinc/77/22/15/1074772215.db2.gz GCKBKPAJQOCYSL-ZDUSSCGKSA-N 1 0 424.343 1.868 20 0 HDADRO CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000509317952 1074779862 /nfs/dbraw/zinc/77/98/62/1074779862.db2.gz ULQDTGPUPJKLKR-HKUYNNGSSA-N 1 0 423.558 1.715 20 0 HDADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444511291 1074783869 /nfs/dbraw/zinc/78/38/69/1074783869.db2.gz WFRFWTOSTQAULN-ZDUSSCGKSA-N 1 0 411.478 2.177 20 0 HDADRO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)N3CCOC[C@@H]3C3CC3)cc2)CC1 ZINC000766102640 1074788615 /nfs/dbraw/zinc/78/86/15/1074788615.db2.gz GEQUFTCPCKGHIZ-HXUWFJFHSA-N 1 0 401.507 1.623 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000477092731 1074791299 /nfs/dbraw/zinc/79/12/99/1074791299.db2.gz CSKZOFFIIKCUOY-LPHOPBHVSA-N 1 0 424.973 1.676 20 0 HDADRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675297692 1074791418 /nfs/dbraw/zinc/79/14/18/1074791418.db2.gz QKHMKBYRPJQVLZ-WMLDXEAASA-N 1 0 420.460 1.319 20 0 HDADRO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000675317762 1074797684 /nfs/dbraw/zinc/79/76/84/1074797684.db2.gz BAFHFANKJPBFAB-RKVPGOIHSA-N 1 0 420.941 1.798 20 0 HDADRO Cc1cc(NC(=O)C2CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)no1 ZINC000591631251 1074808539 /nfs/dbraw/zinc/80/85/39/1074808539.db2.gz VDKXVFGKQNMYIK-UHFFFAOYSA-N 1 0 419.526 1.988 20 0 HDADRO COc1cc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc(Cl)c1OCC(N)=O ZINC000543619898 1074809496 /nfs/dbraw/zinc/80/94/96/1074809496.db2.gz MSZDODGNMCRLCK-UHFFFAOYSA-N 1 0 403.866 1.788 20 0 HDADRO COC(=O)c1ccc(C(C)C)c(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000556182099 1074820154 /nfs/dbraw/zinc/82/01/54/1074820154.db2.gz QQAPMVYXZKUMOG-UHFFFAOYSA-N 1 0 401.467 1.932 20 0 HDADRO Cc1cc(C)cc(CCNC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000509243100 1074821741 /nfs/dbraw/zinc/82/17/41/1074821741.db2.gz IPTHCOOKSRVWPX-SFTDATJTSA-N 1 0 414.594 1.979 20 0 HDADRO COc1ccccc1OCCNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000670507390 1075094497 /nfs/dbraw/zinc/09/44/97/1075094497.db2.gz DBKAZXYNBQKGKI-LJQANCHMSA-N 1 0 411.502 1.923 20 0 HDADRO Cc1cc(NC(=O)CCN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)no1 ZINC000501987359 1075094863 /nfs/dbraw/zinc/09/48/63/1075094863.db2.gz VRRROGKKQAYFRF-OAQYLSRUSA-N 1 0 411.462 1.898 20 0 HDADRO Cc1cn2cc(NC(=O)C(=O)NC[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)ccc2n1 ZINC000509324133 1075095345 /nfs/dbraw/zinc/09/53/45/1075095345.db2.gz VNRIHWOLNJJOHK-CABCVRRESA-N 1 0 410.434 1.878 20 0 HDADRO O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429332408 1075095659 /nfs/dbraw/zinc/09/56/59/1075095659.db2.gz PSRJHSQARSVARS-LEWJYISDSA-N 1 0 414.550 1.584 20 0 HDADRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000670512311 1075095877 /nfs/dbraw/zinc/09/58/77/1075095877.db2.gz IPJWUTMDUMTTRG-QGZVFWFLSA-N 1 0 415.456 1.933 20 0 HDADRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nn(-c2ncccc2F)cc1C ZINC000446788619 1075096909 /nfs/dbraw/zinc/09/69/09/1075096909.db2.gz YGLUZJVPTXJHHZ-MRXNPFEDSA-N 1 0 416.501 2.424 20 0 HDADRO COc1ncc(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C(N)=O ZINC000429334391 1075098231 /nfs/dbraw/zinc/09/82/31/1075098231.db2.gz MUKNXBOSLWUCNS-NRFANRHFSA-N 1 0 413.478 1.290 20 0 HDADRO COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000581443760 1075100766 /nfs/dbraw/zinc/10/07/66/1075100766.db2.gz MARATQMNYBCIJB-UHFFFAOYSA-N 1 0 417.466 1.596 20 0 HDADRO Cc1cc(NC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)n(C2CC[NH+](C)CC2)n1 ZINC000429335615 1075101192 /nfs/dbraw/zinc/10/11/92/1075101192.db2.gz YVDZRQPTESCYEL-ZDUSSCGKSA-N 1 0 416.448 1.991 20 0 HDADRO Cc1cc(NC(=O)CN(C)C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)no1 ZINC000492948663 1075102363 /nfs/dbraw/zinc/10/23/63/1075102363.db2.gz YGKODFSZYJJDHQ-UHFFFAOYSA-N 1 0 400.479 1.898 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@H](Nc2ccn(C3CC[NH+](C)CC3)n2)C1=O ZINC000447413223 1075105198 /nfs/dbraw/zinc/10/51/98/1075105198.db2.gz KYNDYSLNMRILMV-HNNXBMFYSA-N 1 0 403.508 2.215 20 0 HDADRO CN(C)C(=O)Cn1cc(NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000429337902 1075115444 /nfs/dbraw/zinc/11/54/44/1075115444.db2.gz ZTVCOTGWSQMAMI-NRFANRHFSA-N 1 0 414.510 1.072 20 0 HDADRO C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000670511920 1075115558 /nfs/dbraw/zinc/11/55/58/1075115558.db2.gz VKOHORZXJFJTII-UHFFFAOYSA-N 1 0 415.456 1.669 20 0 HDADRO CC(C)(C)n1nnc(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)n1 ZINC001034691979 1075117129 /nfs/dbraw/zinc/11/71/29/1075117129.db2.gz OEGDLXTYBLDZAD-FNDPAJJVSA-N 1 0 402.543 1.411 20 0 HDADRO COC(=O)c1scc(C)c1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000581645674 1075119365 /nfs/dbraw/zinc/11/93/65/1075119365.db2.gz UGFJYYWMIQHRHE-UHFFFAOYSA-N 1 0 405.480 1.884 20 0 HDADRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000565064193 1075119688 /nfs/dbraw/zinc/11/96/88/1075119688.db2.gz ITWXFVLAHZTGFD-AWEZNQCLSA-N 1 0 406.918 2.155 20 0 HDADRO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000675397823 1075124230 /nfs/dbraw/zinc/12/42/30/1075124230.db2.gz YMVDUAYUXKXXMZ-LJQANCHMSA-N 1 0 424.549 1.671 20 0 HDADRO Cc1cc(NC(=O)CSCC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)no1 ZINC000499996602 1075126646 /nfs/dbraw/zinc/12/66/46/1075126646.db2.gz QTOBAEULRPGABJ-HOTGVXAUSA-N 1 0 423.583 1.672 20 0 HDADRO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000675402979 1075127517 /nfs/dbraw/zinc/12/75/17/1075127517.db2.gz GDTQRFNDFNGEPM-ZWKOTPCHSA-N 1 0 411.506 1.612 20 0 HDADRO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000675404854 1075129574 /nfs/dbraw/zinc/12/95/74/1075129574.db2.gz VIALUVQGTIKBBP-UYAOXDASSA-N 1 0 424.549 1.669 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cc(F)ccc3OC(F)F)CC2)C1 ZINC000675404672 1075129591 /nfs/dbraw/zinc/12/95/91/1075129591.db2.gz UWPSGJUHGMXBMN-CQSZACIVSA-N 1 0 414.428 1.604 20 0 HDADRO C[C@H](c1ccccc1)n1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)n1 ZINC000675405478 1075131335 /nfs/dbraw/zinc/13/13/35/1075131335.db2.gz QBGJUEINEILHJJ-FOIQADDNSA-N 1 0 401.536 1.984 20 0 HDADRO COc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)C[C@@H](O)CN2CCOCC2)c1 ZINC000766122269 1075132575 /nfs/dbraw/zinc/13/25/75/1075132575.db2.gz SLOZELQLFBIELP-JTHBVZDNSA-N 1 0 400.519 1.924 20 0 HDADRO C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000675412979 1075137513 /nfs/dbraw/zinc/13/75/13/1075137513.db2.gz ZQIBKITWSLRGLY-ZWKOTPCHSA-N 1 0 418.538 1.183 20 0 HDADRO COCCCOc1ccccc1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000569429676 1075140123 /nfs/dbraw/zinc/14/01/23/1075140123.db2.gz CBVKDMMVQVWNMB-UHFFFAOYSA-N 1 0 415.494 2.142 20 0 HDADRO COCCCn1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000496014097 1075148757 /nfs/dbraw/zinc/14/87/57/1075148757.db2.gz PNUKCTFTLNDOHJ-MJGOQNOKSA-N 1 0 413.522 1.885 20 0 HDADRO COC[C@H]1CCCN1C(=O)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000670527594 1075153711 /nfs/dbraw/zinc/15/37/11/1075153711.db2.gz MJNFUEUBMIKJPP-UYAOXDASSA-N 1 0 403.523 1.976 20 0 HDADRO C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1cccc(-n2cccn2)c1 ZINC000466679474 1075157656 /nfs/dbraw/zinc/15/76/56/1075157656.db2.gz AHVNWVQRNRLPLQ-SFHVURJKSA-N 1 0 410.522 1.883 20 0 HDADRO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000543629208 1075159312 /nfs/dbraw/zinc/15/93/12/1075159312.db2.gz JQPMCVOKVUARCS-FXQLRMTLSA-N 1 0 402.557 1.416 20 0 HDADRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766140698 1075163615 /nfs/dbraw/zinc/16/36/15/1075163615.db2.gz RXWCGEKAHCXNEF-GXTWGEPZSA-N 1 0 410.583 1.177 20 0 HDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c2ccccc2O1 ZINC000675472594 1075166982 /nfs/dbraw/zinc/16/69/82/1075166982.db2.gz PRXDVKWYFUPJPB-GFCCVEGCSA-N 1 0 416.459 1.559 20 0 HDADRO O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000448484393 1075175039 /nfs/dbraw/zinc/17/50/39/1075175039.db2.gz CYWYMEZUMWNKNR-UHFFFAOYSA-N 1 0 423.439 2.207 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)c2ccccc2O1 ZINC000675491222 1075175245 /nfs/dbraw/zinc/17/52/45/1075175245.db2.gz GPMJPICGFSJHMH-KRWDZBQOSA-N 1 0 408.458 1.814 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c2ccccc2O1 ZINC000675490875 1075175628 /nfs/dbraw/zinc/17/56/28/1075175628.db2.gz CJCARFNYXNAVPD-OAHLLOKOSA-N 1 0 408.458 1.848 20 0 HDADRO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1C[C@H](C[NH+](C)C)Oc3ccccc31)C2=O ZINC000675491518 1075176109 /nfs/dbraw/zinc/17/61/09/1075176109.db2.gz KSYPWNJYZAKSID-ZMPRRUGASA-N 1 0 414.506 1.843 20 0 HDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC(S(C)(=O)=O)CC3)CC2)cc1 ZINC000675505665 1075187403 /nfs/dbraw/zinc/18/74/03/1075187403.db2.gz QSILMNRVQMYHEV-UHFFFAOYSA-N 1 0 423.579 1.239 20 0 HDADRO CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000675511217 1075189849 /nfs/dbraw/zinc/18/98/49/1075189849.db2.gz CYNDGQXQHSDHIC-MRXNPFEDSA-N 1 0 403.504 1.954 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)c2ccccc2O1 ZINC000675512503 1075191470 /nfs/dbraw/zinc/19/14/70/1075191470.db2.gz PSGQADXMFFUTOW-HNNXBMFYSA-N 1 0 408.458 1.848 20 0 HDADRO CS(=O)(=O)N1CCCc2cc(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)ccc21 ZINC000675537576 1075195222 /nfs/dbraw/zinc/19/52/22/1075195222.db2.gz GSKYXCQGQQZUSV-SFHVURJKSA-N 1 0 407.536 1.382 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000675539136 1075195578 /nfs/dbraw/zinc/19/55/78/1075195578.db2.gz WXDKTKBLUQHAMX-HZPDHXFCSA-N 1 0 413.565 1.271 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000675538990 1075195964 /nfs/dbraw/zinc/19/59/64/1075195964.db2.gz QDGBNHWEKSGVTE-UYAOXDASSA-N 1 0 421.563 1.599 20 0 HDADRO COc1ccc(CN2C[C@H](C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC2=O)cc1 ZINC000675538705 1075196003 /nfs/dbraw/zinc/19/60/03/1075196003.db2.gz MCACZQRSVDMKGM-IEBWSBKVSA-N 1 0 401.507 1.413 20 0 HDADRO O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccco1 ZINC000675538806 1075196270 /nfs/dbraw/zinc/19/62/70/1075196270.db2.gz OXNSIDJOBOKCKH-VQTJNVASSA-N 1 0 411.502 1.990 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000675538724 1075196315 /nfs/dbraw/zinc/19/63/15/1075196315.db2.gz MYTDEGJTRGVSPA-LJQANCHMSA-N 1 0 421.563 1.891 20 0 HDADRO C[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)n1nnnc1C(C)(C)C ZINC000543634852 1075197120 /nfs/dbraw/zinc/19/71/20/1075197120.db2.gz GNIXMUIHEJQXER-MRXNPFEDSA-N 1 0 419.574 1.372 20 0 HDADRO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675540782 1075197197 /nfs/dbraw/zinc/19/71/97/1075197197.db2.gz ITBYUYPMAPUFPO-OALUTQOASA-N 1 0 402.474 1.274 20 0 HDADRO O=C(NCCOc1ccc(C(F)(F)F)cn1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000675543268 1075198495 /nfs/dbraw/zinc/19/84/95/1075198495.db2.gz RVMGTERLHGPARV-LSDHHAIUSA-N 1 0 402.417 1.720 20 0 HDADRO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766165360 1075200721 /nfs/dbraw/zinc/20/07/21/1075200721.db2.gz FPGFRTOQBQYFLU-DZKIICNBSA-N 1 0 403.570 1.546 20 0 HDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675558541 1075202630 /nfs/dbraw/zinc/20/26/30/1075202630.db2.gz LGFQNTQARSKTFJ-QZTJIDSGSA-N 1 0 407.559 1.019 20 0 HDADRO CCN(CC)S(=O)(=O)c1cc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1C ZINC000469706243 1075205910 /nfs/dbraw/zinc/20/59/10/1075205910.db2.gz RCLDILXYLUTNIU-UHFFFAOYSA-N 1 0 422.555 2.428 20 0 HDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1 ZINC000551219418 1075210346 /nfs/dbraw/zinc/21/03/46/1075210346.db2.gz VDELMMHKQKNULS-OAHLLOKOSA-N 1 0 415.460 1.961 20 0 HDADRO CN(C(=O)CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675579660 1075211450 /nfs/dbraw/zinc/21/14/50/1075211450.db2.gz QAWQMNLZNVPSHR-LJQANCHMSA-N 1 0 401.532 2.000 20 0 HDADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675587127 1075216609 /nfs/dbraw/zinc/21/66/09/1075216609.db2.gz UQTUCESOCVNKNK-QGZVFWFLSA-N 1 0 421.567 1.478 20 0 HDADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507143287 1075218843 /nfs/dbraw/zinc/21/88/43/1075218843.db2.gz MZVMCIGXYCVTGX-UHFFFAOYSA-N 1 0 417.429 1.903 20 0 HDADRO CCOc1ccc(C(=O)NCC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000675604821 1075221841 /nfs/dbraw/zinc/22/18/41/1075221841.db2.gz GDKIWSFZWCGUCE-LJQANCHMSA-N 1 0 402.539 1.442 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc(Cl)c2N2CCOCC2)cn1 ZINC000675607502 1075223091 /nfs/dbraw/zinc/22/30/91/1075223091.db2.gz IKXBXAOCIRAAER-UHFFFAOYSA-N 1 0 420.901 1.512 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(OCc3ccccc3)nc2)cn1 ZINC000675608369 1075224268 /nfs/dbraw/zinc/22/42/68/1075224268.db2.gz XRYWBUYWBOVSFK-UHFFFAOYSA-N 1 0 408.462 1.996 20 0 HDADRO Cc1cc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1OC1CCOCC1 ZINC000675608449 1075224476 /nfs/dbraw/zinc/22/44/76/1075224476.db2.gz SPVGHDCPGYELGP-UHFFFAOYSA-N 1 0 415.494 1.888 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc(OCc3cccnc3)c2)cn1 ZINC000675608293 1075224502 /nfs/dbraw/zinc/22/45/02/1075224502.db2.gz OJTXLHOIMPHWDM-UHFFFAOYSA-N 1 0 408.462 1.996 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cn1 ZINC000675608163 1075224537 /nfs/dbraw/zinc/22/45/37/1075224537.db2.gz UJMBQXBKEDUXJQ-UHFFFAOYSA-N 1 0 413.887 1.079 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)cn1 ZINC000675609011 1075225801 /nfs/dbraw/zinc/22/58/01/1075225801.db2.gz ZKOHKWMKACETSR-UHFFFAOYSA-N 1 0 408.466 1.684 20 0 HDADRO Cc1cc(NC(=O)CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000429363534 1075228341 /nfs/dbraw/zinc/22/83/41/1075228341.db2.gz PYLAIFQSOJNKMW-CRAIPNDOSA-N 1 0 423.583 1.296 20 0 HDADRO O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000675589876 1075228563 /nfs/dbraw/zinc/22/85/63/1075228563.db2.gz CSDMABWTPVBAKW-IBGZPJMESA-N 1 0 403.527 1.725 20 0 HDADRO CCN1CC[NH+](CCCCNC(=O)C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)CC1 ZINC000541371814 1075231718 /nfs/dbraw/zinc/23/17/18/1075231718.db2.gz UMAIUPLGHLWCNB-KRWDZBQOSA-N 1 0 404.559 1.635 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)Nc3ccn(C(C)C)n3)cc2)CC1 ZINC000483556669 1075232526 /nfs/dbraw/zinc/23/25/26/1075232526.db2.gz FDZCRPQLQGTUAF-UHFFFAOYSA-N 1 0 412.538 1.856 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)Cc2ccccc2C1 ZINC000675595239 1075232676 /nfs/dbraw/zinc/23/26/76/1075232676.db2.gz LDKCCYYLBXZRTB-LJQANCHMSA-N 1 0 411.506 1.216 20 0 HDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)[C@H](C)C1 ZINC000441046129 1075237411 /nfs/dbraw/zinc/23/74/11/1075237411.db2.gz ACYVVFKYEGVTRN-APWZRJJASA-N 1 0 413.522 2.067 20 0 HDADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000675602490 1075239485 /nfs/dbraw/zinc/23/94/85/1075239485.db2.gz DJXZIERJLAGGQI-LJQANCHMSA-N 1 0 400.523 1.637 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000509358507 1075239514 /nfs/dbraw/zinc/23/95/14/1075239514.db2.gz PJIYGOQYXNVJQV-UHFFFAOYSA-N 1 0 423.602 1.217 20 0 HDADRO CO[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1Cl ZINC000675651515 1075247328 /nfs/dbraw/zinc/24/73/28/1075247328.db2.gz ALDNBFQXSFHSAO-APWZRJJASA-N 1 0 410.946 1.733 20 0 HDADRO COC[C@H](C)n1ccc(NC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)n1 ZINC000559063876 1075249687 /nfs/dbraw/zinc/24/96/87/1075249687.db2.gz BKCCITONQBASNI-HNNXBMFYSA-N 1 0 417.535 2.217 20 0 HDADRO Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000509359761 1075250697 /nfs/dbraw/zinc/25/06/97/1075250697.db2.gz YRNABDHGYXICAV-ZDUSSCGKSA-N 1 0 407.458 1.880 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000675692999 1075254902 /nfs/dbraw/zinc/25/49/02/1075254902.db2.gz HDXLOGXOKOQIBI-UHFFFAOYSA-N 1 0 401.511 1.856 20 0 HDADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000675699206 1075260139 /nfs/dbraw/zinc/26/01/39/1075260139.db2.gz RKUPZHHAQRBPAZ-RHSMWYFYSA-N 1 0 422.551 1.302 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000804221124 1075261007 /nfs/dbraw/zinc/26/10/07/1075261007.db2.gz QWEIQNQNFMTUCX-OAHLLOKOSA-N 1 0 406.502 1.523 20 0 HDADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)c3cccc(OCC(N)=O)c3)CC2)cc1 ZINC001129049620 1075261658 /nfs/dbraw/zinc/26/16/58/1075261658.db2.gz MAWHXPSNGAWRNN-UHFFFAOYSA-N 1 0 424.501 1.904 20 0 HDADRO CCOC(=O)CCC1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000618862343 1075262253 /nfs/dbraw/zinc/26/22/53/1075262253.db2.gz HOVPDNOKTQJGTO-UHFFFAOYSA-N 1 0 419.526 1.670 20 0 HDADRO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000675746585 1075267489 /nfs/dbraw/zinc/26/74/89/1075267489.db2.gz KTKNZQYZTXQNFZ-INIZCTEOSA-N 1 0 417.597 1.793 20 0 HDADRO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000675779120 1075268026 /nfs/dbraw/zinc/26/80/26/1075268026.db2.gz GCDAZWYNCZJOHH-UHFFFAOYSA-N 1 0 405.462 1.730 20 0 HDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000675781562 1075268321 /nfs/dbraw/zinc/26/83/21/1075268321.db2.gz OPMWDPVAFWKWOV-AWEZNQCLSA-N 1 0 423.560 1.886 20 0 HDADRO Cc1ccc(C)c(N2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2)c1 ZINC000427579711 1075273474 /nfs/dbraw/zinc/27/34/74/1075273474.db2.gz VMDBPBCVILYIDS-UHFFFAOYSA-N 1 0 424.549 2.054 20 0 HDADRO Cc1ccc(C)c(OC2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)c1 ZINC000448508131 1075273488 /nfs/dbraw/zinc/27/34/88/1075273488.db2.gz PIFXFEOFIYAKKH-UHFFFAOYSA-N 1 0 413.522 2.070 20 0 HDADRO CN(CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)S(C)(=O)=O ZINC000675810448 1075275110 /nfs/dbraw/zinc/27/51/10/1075275110.db2.gz LXXTYUWWIXACBR-UXHICEINSA-N 1 0 422.595 1.964 20 0 HDADRO CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCN(C4CCCCC4)C3=O)CC2)CC1 ZINC000675814575 1075275694 /nfs/dbraw/zinc/27/56/94/1075275694.db2.gz BCRMNISTMWTMPI-HXUWFJFHSA-N 1 0 405.587 1.778 20 0 HDADRO COc1ccc([C@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1Br ZINC000675816924 1075276728 /nfs/dbraw/zinc/27/67/28/1075276728.db2.gz HMEHXGYUZFYUOX-ZDUSSCGKSA-N 1 0 420.373 1.686 20 0 HDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000675826654 1075278934 /nfs/dbraw/zinc/27/89/34/1075278934.db2.gz PLNRNUONQRNORJ-QZTJIDSGSA-N 1 0 407.559 1.162 20 0 HDADRO Cc1ccc(Cc2ccccn2)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000556181708 1075284824 /nfs/dbraw/zinc/28/48/24/1075284824.db2.gz IFOHDFACVUJBOY-UHFFFAOYSA-N 1 0 406.490 2.316 20 0 HDADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)[C@H]1C(C)C ZINC000429383075 1075296817 /nfs/dbraw/zinc/29/68/17/1075296817.db2.gz QGTMXRGBWRZRTH-YJBOKZPZSA-N 1 0 407.536 1.552 20 0 HDADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000675937742 1075298257 /nfs/dbraw/zinc/29/82/57/1075298257.db2.gz PVSNWPQJXUGBLX-IBGZPJMESA-N 1 0 416.522 1.615 20 0 HDADRO Cc1ccc(NCCCNC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)nc1 ZINC000548444917 1075304825 /nfs/dbraw/zinc/30/48/25/1075304825.db2.gz AUFFYMUNWMGOPK-NRFANRHFSA-N 1 0 410.566 2.480 20 0 HDADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000544202213 1075306140 /nfs/dbraw/zinc/30/61/40/1075306140.db2.gz RKDYQLJWLIYVGU-UHFFFAOYSA-N 1 0 415.494 1.646 20 0 HDADRO C[NH+]1CCC(NC(=S)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)CC1 ZINC000731320505 1075307327 /nfs/dbraw/zinc/30/73/27/1075307327.db2.gz KKSVCEFZDIWGAO-UHFFFAOYSA-N 1 0 415.607 1.552 20 0 HDADRO COCCc1noc(CN(C)C(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000675970296 1075312546 /nfs/dbraw/zinc/31/25/46/1075312546.db2.gz HAJPYXOZXITUME-OAHLLOKOSA-N 1 0 423.901 1.289 20 0 HDADRO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1 ZINC000731354212 1075317603 /nfs/dbraw/zinc/31/76/03/1075317603.db2.gz FQPFJDYSZZTFNP-GOSISDBHSA-N 1 0 418.538 1.899 20 0 HDADRO CCOC(=O)c1cn(C)nc1NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000544254722 1075317718 /nfs/dbraw/zinc/31/77/18/1075317718.db2.gz RCIBJKMPASMJAT-GASCZTMLSA-N 1 0 407.515 1.950 20 0 HDADRO C[C@H](NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)C1CC[NH+](C)CC1 ZINC000675996579 1075320632 /nfs/dbraw/zinc/32/06/32/1075320632.db2.gz ZVGIWOPYDYWRSJ-INIZCTEOSA-N 1 0 411.554 1.770 20 0 HDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccn(CC[NH+](C)C)n2)s1 ZINC000522270441 1075325537 /nfs/dbraw/zinc/32/55/37/1075325537.db2.gz URFRKJDSUOOBIG-AWEZNQCLSA-N 1 0 411.553 1.606 20 0 HDADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(C(=O)[C@@H](C)NC(=O)c3cccc(C)c3)C[C@H]2C)CC1 ZINC000676056032 1075334741 /nfs/dbraw/zinc/33/47/41/1075334741.db2.gz QRNIADCCOGNSIP-DBXWQHBBSA-N 1 0 414.550 1.514 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1)c1ccc(Cl)cc1 ZINC000676038514 1075336941 /nfs/dbraw/zinc/33/69/41/1075336941.db2.gz SVDBHDUQIVUIGV-KURKYZTESA-N 1 0 409.914 1.465 20 0 HDADRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCOc2cccnc2)[C@@H]1c1cccs1 ZINC000804076149 1075337758 /nfs/dbraw/zinc/33/77/58/1075337758.db2.gz CLHGTXSHAIRYKA-CRAIPNDOSA-N 1 0 402.520 1.837 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC(OCCCO)CC1)c1ccc(Cl)cc1 ZINC000676043382 1075338964 /nfs/dbraw/zinc/33/89/64/1075338964.db2.gz BQLULXRAWIHFBK-GOSISDBHSA-N 1 0 411.930 1.449 20 0 HDADRO CN(c1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1)S(C)(=O)=O ZINC000676048020 1075340106 /nfs/dbraw/zinc/34/01/06/1075340106.db2.gz ZKCHZYSSPPRMMB-RTBURBONSA-N 1 0 424.567 1.259 20 0 HDADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](C)C1 ZINC000533003468 1075340736 /nfs/dbraw/zinc/34/07/36/1075340736.db2.gz KEKNUOWQOYLKGO-UONOGXRCSA-N 1 0 419.448 1.637 20 0 HDADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NCCC(=O)N1CCCCCC1 ZINC000804081073 1075346337 /nfs/dbraw/zinc/34/63/37/1075346337.db2.gz ZPCQXEUZCXYTQG-UHFFFAOYSA-N 1 0 416.566 1.528 20 0 HDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000519731128 1075349920 /nfs/dbraw/zinc/34/99/20/1075349920.db2.gz WALGAFZDBOUKHW-HNNXBMFYSA-N 1 0 423.464 1.870 20 0 HDADRO COc1cc2c(cc1OC)CCN(C(=O)C(=O)Nc1cnn(-c3cc[nH+]cc3)c1)CC2 ZINC000676092235 1075352436 /nfs/dbraw/zinc/35/24/36/1075352436.db2.gz CZJAQRPQWDQYES-UHFFFAOYSA-N 1 0 421.457 1.850 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccnc(OC3CCCCC3)c2)cn1 ZINC000676093503 1075353964 /nfs/dbraw/zinc/35/39/64/1075353964.db2.gz LHJGYUKPDHMTOM-UHFFFAOYSA-N 1 0 414.510 1.806 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)cn1 ZINC000676093307 1075354818 /nfs/dbraw/zinc/35/48/18/1075354818.db2.gz HGVVXMOOFQSNLG-LJQANCHMSA-N 1 0 417.485 1.730 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000676094678 1075355559 /nfs/dbraw/zinc/35/55/59/1075355559.db2.gz NMRSVNMNQLZPFD-CQSZACIVSA-N 1 0 412.400 1.879 20 0 HDADRO COCCc1cc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)n(C)n1 ZINC000676094395 1075356133 /nfs/dbraw/zinc/35/61/33/1075356133.db2.gz WKQPQKPKXMPWTM-IBGZPJMESA-N 1 0 413.522 1.891 20 0 HDADRO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676094136 1075356542 /nfs/dbraw/zinc/35/65/42/1075356542.db2.gz QWWRRPRAMBQHGA-CQSZACIVSA-N 1 0 401.467 1.249 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(CN3CCc4ccccc43)CC2)cn1 ZINC000676095162 1075357941 /nfs/dbraw/zinc/35/79/41/1075357941.db2.gz ILQAVYKMJUGZRV-UHFFFAOYSA-N 1 0 424.549 1.685 20 0 HDADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000804083583 1075357946 /nfs/dbraw/zinc/35/79/46/1075357946.db2.gz CUGXIJGQASBKAO-UHFFFAOYSA-N 1 0 412.918 1.047 20 0 HDADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)C1 ZINC000731467757 1075358149 /nfs/dbraw/zinc/35/81/49/1075358149.db2.gz AUNMXYSLMYNYJN-FDDCHVKYSA-N 1 0 406.486 1.973 20 0 HDADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C1 ZINC000731467773 1075358183 /nfs/dbraw/zinc/35/81/83/1075358183.db2.gz BFOUQGDEBDUINE-HNNXBMFYSA-N 1 0 407.561 1.973 20 0 HDADRO NC(=O)C1(c2ccccc2)CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676096488 1075359514 /nfs/dbraw/zinc/35/95/14/1075359514.db2.gz NLSQFGHNRPTYJU-UHFFFAOYSA-N 1 0 418.457 1.252 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000676098133 1075363015 /nfs/dbraw/zinc/36/30/15/1075363015.db2.gz AHIUDGFCTVXZES-UHFFFAOYSA-N 1 0 410.478 1.457 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000676098580 1075363466 /nfs/dbraw/zinc/36/34/66/1075363466.db2.gz QPGLRYVXSBYONH-UHFFFAOYSA-N 1 0 406.450 1.150 20 0 HDADRO O=C(NCCC1CCN(CC(F)(F)F)CC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676098426 1075363766 /nfs/dbraw/zinc/36/37/66/1075363766.db2.gz MDYSYEOGDTVZSM-UHFFFAOYSA-N 1 0 424.427 1.986 20 0 HDADRO Cc1nc(CN2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)oc1C ZINC000676098588 1075363912 /nfs/dbraw/zinc/36/39/12/1075363912.db2.gz QWOBQWILRGMRTQ-UHFFFAOYSA-N 1 0 409.450 1.155 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1nc(C2CCCCC2)no1 ZINC000676099105 1075366285 /nfs/dbraw/zinc/36/62/85/1075366285.db2.gz JDRDAKQEPAANAC-CYBMUJFWSA-N 1 0 403.487 1.691 20 0 HDADRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccn(CCN2CCOCC2)n1)[NH+](C)C ZINC000579872512 1075366447 /nfs/dbraw/zinc/36/64/47/1075366447.db2.gz BMGRYQILOTTWEM-GHTZIAJQSA-N 1 0 414.554 2.337 20 0 HDADRO Cc1nccn1-c1ccc(CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cn1 ZINC000731498020 1075368639 /nfs/dbraw/zinc/36/86/39/1075368639.db2.gz HQHZSEWJYOIOBQ-UHFFFAOYSA-N 1 0 413.526 1.318 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC000731501974 1075369249 /nfs/dbraw/zinc/36/92/49/1075369249.db2.gz DQPOQLCAWASMBW-UHFFFAOYSA-N 1 0 413.526 1.351 20 0 HDADRO CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H](CC(N)=O)C2CCCCC2)ccc1C ZINC000544456607 1075369334 /nfs/dbraw/zinc/36/93/34/1075369334.db2.gz KWKQLODHCQNRKR-INIZCTEOSA-N 1 0 410.540 1.256 20 0 HDADRO CCN(CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)C(=O)OC(C)(C)C ZINC000731502566 1075369910 /nfs/dbraw/zinc/36/99/10/1075369910.db2.gz LULWYFNJQUAALT-UHFFFAOYSA-N 1 0 413.563 1.485 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000731478894 1075371140 /nfs/dbraw/zinc/37/11/40/1075371140.db2.gz KFSHZGAXGOEPQO-KRWDZBQOSA-N 1 0 410.559 1.835 20 0 HDADRO CC(C)COC(=O)N1CCC(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000731480719 1075371925 /nfs/dbraw/zinc/37/19/25/1075371925.db2.gz JFXWYNWNKJQKHY-UHFFFAOYSA-N 1 0 410.559 1.550 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000731480857 1075372078 /nfs/dbraw/zinc/37/20/78/1075372078.db2.gz LBQZEQWQCDFHOI-OAHLLOKOSA-N 1 0 404.486 1.238 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccnc(Oc3ccccc3)c2)cn1 ZINC000676089153 1075373030 /nfs/dbraw/zinc/37/30/30/1075373030.db2.gz CRQKTSBNHCMWKM-UHFFFAOYSA-N 1 0 408.462 1.887 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cn1 ZINC000676090834 1075374075 /nfs/dbraw/zinc/37/40/75/1075374075.db2.gz IXSQVYODQYVQKC-KRWDZBQOSA-N 1 0 413.478 1.518 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000676091029 1075375538 /nfs/dbraw/zinc/37/55/38/1075375538.db2.gz VMGLCKRHERCWOW-UHFFFAOYSA-N 1 0 422.420 1.330 20 0 HDADRO Cc1cccc(CN2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)c1 ZINC000676091028 1075375684 /nfs/dbraw/zinc/37/56/84/1075375684.db2.gz VJRLIEMOWHDXIT-UHFFFAOYSA-N 1 0 404.474 1.859 20 0 HDADRO CC(C)[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1nnc2ccccn21 ZINC000676092931 1075377127 /nfs/dbraw/zinc/37/71/27/1075377127.db2.gz DRSANXNCIBNBHN-KRWDZBQOSA-N 1 0 404.434 1.762 20 0 HDADRO CCOc1cccc2cc([C@H](C)NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)oc21 ZINC000448533280 1075379489 /nfs/dbraw/zinc/37/94/89/1075379489.db2.gz UJCWQBQPTQCCFL-AWEZNQCLSA-N 1 0 413.478 2.406 20 0 HDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000804089695 1075381472 /nfs/dbraw/zinc/38/14/72/1075381472.db2.gz XXRYFMJXOBKKDW-GVDBMIGSSA-N 1 0 408.543 1.635 20 0 HDADRO O=C(Cn1cc(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cn1)NC1CCCC1 ZINC000676103670 1075383800 /nfs/dbraw/zinc/38/38/00/1075383800.db2.gz FQDIPABCVJCWBV-UHFFFAOYSA-N 1 0 422.449 1.100 20 0 HDADRO Cc1ccn(-c2ccccc2CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000676108951 1075384876 /nfs/dbraw/zinc/38/48/76/1075384876.db2.gz ASBVACSGZSGPHN-UHFFFAOYSA-N 1 0 404.474 1.541 20 0 HDADRO COC(=O)CNC(=O)CC[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000429398277 1075384898 /nfs/dbraw/zinc/38/48/98/1075384898.db2.gz VEWMHAYTMODOKV-PXNSSMCTSA-N 1 0 416.449 1.846 20 0 HDADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804087985 1075387064 /nfs/dbraw/zinc/38/70/64/1075387064.db2.gz MQYHYNOFSJYSNL-IXDOHACOSA-N 1 0 410.559 1.787 20 0 HDADRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804091492 1075389115 /nfs/dbraw/zinc/38/91/15/1075389115.db2.gz NRPCYAMYRVCFLT-DLBZAZTESA-N 1 0 410.559 1.883 20 0 HDADRO COc1ccc(Br)c(C(=O)NCCCNC(=S)NCC[NH+](C)C)c1 ZINC000731567496 1075390286 /nfs/dbraw/zinc/39/02/86/1075390286.db2.gz MLWNCYAQRAQGKU-UHFFFAOYSA-N 1 0 417.373 1.603 20 0 HDADRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=CC[N@H+](C)CC1 ZINC000804093110 1075393877 /nfs/dbraw/zinc/39/38/77/1075393877.db2.gz XFCWSSIDKVPZRO-XIRDDKMYSA-N 1 0 408.543 1.705 20 0 HDADRO Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000583122389 1075394299 /nfs/dbraw/zinc/39/42/99/1075394299.db2.gz YXHBTTHOVVKMMY-QGZVFWFLSA-N 1 0 401.898 2.469 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000676124399 1075395546 /nfs/dbraw/zinc/39/55/46/1075395546.db2.gz HYYYXSUOSFLYSX-TZIWHRDSSA-N 1 0 410.518 1.980 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cnc3c(C)cc(F)cc3c2O)CC1 ZINC000676142146 1075397099 /nfs/dbraw/zinc/39/70/99/1075397099.db2.gz PFAPIFYWCLKCMM-UHFFFAOYSA-N 1 0 402.470 1.602 20 0 HDADRO Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000731608242 1075398382 /nfs/dbraw/zinc/39/83/82/1075398382.db2.gz PNPPODAPNHPYGI-UHFFFAOYSA-N 1 0 413.474 1.826 20 0 HDADRO COc1cc(C=O)ccc1OCC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000731599750 1075406647 /nfs/dbraw/zinc/40/66/47/1075406647.db2.gz ZJAWDDUTTPHXTJ-UHFFFAOYSA-N 1 0 411.502 1.821 20 0 HDADRO Cn1cccc1C(=O)N1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000676167457 1075409663 /nfs/dbraw/zinc/40/96/63/1075409663.db2.gz KHRKHJNELBVGHK-AZUAARDMSA-N 1 0 417.554 1.260 20 0 HDADRO Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000643605684 1075411396 /nfs/dbraw/zinc/41/13/96/1075411396.db2.gz QGOXDNMQEITSRD-FQEVSTJZSA-N 1 0 419.485 2.325 20 0 HDADRO CN1CCN(C(=O)C[NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC000429399089 1075411981 /nfs/dbraw/zinc/41/19/81/1075411981.db2.gz VZUZNMHEGAAUGG-KNQAVFIVSA-N 1 0 413.493 1.940 20 0 HDADRO COc1cc(C=O)ccc1OCC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000731628812 1075420809 /nfs/dbraw/zinc/42/08/09/1075420809.db2.gz UWHBGQKILAONMX-HXUWFJFHSA-N 1 0 411.502 1.991 20 0 HDADRO COc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nn1 ZINC000551733095 1075423743 /nfs/dbraw/zinc/42/37/43/1075423743.db2.gz RJBLQPPSFIFHGC-ROUUACIJSA-N 1 0 409.490 1.937 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000484830505 1075424206 /nfs/dbraw/zinc/42/42/06/1075424206.db2.gz QZTJULKTUBJSPD-UHFFFAOYSA-N 1 0 402.474 1.892 20 0 HDADRO COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)nn1 ZINC000551767950 1075426898 /nfs/dbraw/zinc/42/68/98/1075426898.db2.gz HNPRDOJKYVTDPE-ZDUSSCGKSA-N 1 0 411.384 1.862 20 0 HDADRO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)nn1 ZINC000510600948 1075427013 /nfs/dbraw/zinc/42/70/13/1075427013.db2.gz SKJJCHKJWLLOEP-INIZCTEOSA-N 1 0 401.467 1.630 20 0 HDADRO O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000676208603 1075429652 /nfs/dbraw/zinc/42/96/52/1075429652.db2.gz FUIXHQLSVWUXPS-SFHVURJKSA-N 1 0 423.535 1.759 20 0 HDADRO CS(=O)(=O)CCN1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000731651081 1075434109 /nfs/dbraw/zinc/43/41/09/1075434109.db2.gz WBIUUNAZNLPDMG-LJQANCHMSA-N 1 0 407.580 1.524 20 0 HDADRO Cc1ccc(N2CCC[C@H]([NH2+]Cc3cnn([C@]4(C)CCS(=O)(=O)C4)c3)C2)nn1 ZINC000676200193 1075435017 /nfs/dbraw/zinc/43/50/17/1075435017.db2.gz YUKKXLNKMWTDBS-PKOBYXMFSA-N 1 0 404.540 1.274 20 0 HDADRO O=S(=O)(N1CCOCC1)N1CC[NH+](Cn2ccc(=S)c3ccccc32)CC1 ZINC000731656732 1075440207 /nfs/dbraw/zinc/44/02/07/1075440207.db2.gz HJAIHPOFTCJMQN-UHFFFAOYSA-N 1 0 408.549 1.523 20 0 HDADRO Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)[C@H]3CN(C)CCO3)CC2)c1 ZINC000676243651 1075445942 /nfs/dbraw/zinc/44/59/42/1075445942.db2.gz RGSVZQLRGCKOPZ-PZJWPPBQSA-N 1 0 403.571 1.525 20 0 HDADRO Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000541379258 1075447273 /nfs/dbraw/zinc/44/72/73/1075447273.db2.gz DRMKLPWXIJZGIN-UHFFFAOYSA-N 1 0 404.559 1.777 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H]2C(=O)OCc2ccccc2)C1 ZINC000731669593 1075455392 /nfs/dbraw/zinc/45/53/92/1075455392.db2.gz SMRGIGWRISQBKM-NHCUHLMSSA-N 1 0 417.550 1.667 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H]2C(=O)OCc2ccccc2)C1 ZINC000731669595 1075455555 /nfs/dbraw/zinc/45/55/55/1075455555.db2.gz SMRGIGWRISQBKM-RTWAWAEBSA-N 1 0 417.550 1.667 20 0 HDADRO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000676262862 1075461230 /nfs/dbraw/zinc/46/12/30/1075461230.db2.gz OCAIGSKIZSXCBK-UHFFFAOYSA-N 1 0 405.543 1.645 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000731679531 1075461847 /nfs/dbraw/zinc/46/18/47/1075461847.db2.gz MQAFHKIIFNAPOB-HNNXBMFYSA-N 1 0 402.586 1.760 20 0 HDADRO C[N@H+](CCCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000731680162 1075462404 /nfs/dbraw/zinc/46/24/04/1075462404.db2.gz AKNNREFIUCMNMT-UHFFFAOYSA-N 1 0 410.584 1.317 20 0 HDADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000731682472 1075464572 /nfs/dbraw/zinc/46/45/72/1075464572.db2.gz SNLVDJIITDDAHQ-QGZVFWFLSA-N 1 0 402.605 1.307 20 0 HDADRO COc1cccc(C(=O)NCCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000491260539 1075468667 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ZINC000509322976 1075732718 /nfs/dbraw/zinc/73/27/18/1075732718.db2.gz YZSODMFLQBMICL-DLBZAZTESA-N 1 0 421.448 1.778 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2OC(F)F)n1 ZINC000551180485 1075733234 /nfs/dbraw/zinc/73/32/34/1075733234.db2.gz RQSRDEJITUVFQN-UHFFFAOYSA-N 1 0 401.801 2.277 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)n1 ZINC000582457020 1075733449 /nfs/dbraw/zinc/73/34/49/1075733449.db2.gz UWMBBJQTYMDTMW-UHFFFAOYSA-N 1 0 421.461 1.669 20 0 HDADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000509442902 1075734443 /nfs/dbraw/zinc/73/44/43/1075734443.db2.gz VHPVKIQHQCBIJG-UXHICEINSA-N 1 0 415.582 1.114 20 0 HDADRO O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)N1CCN(Cc2cccs2)CC1 ZINC000732412017 1075738089 /nfs/dbraw/zinc/73/80/89/1075738089.db2.gz AYVULHUJYZAHNT-GOSISDBHSA-N 1 0 404.580 1.869 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000428841054 1075739056 /nfs/dbraw/zinc/73/90/56/1075739056.db2.gz BVCHCWYRCRBZKS-AWEZNQCLSA-N 1 0 424.427 2.391 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 ZINC000409755507 1075739664 /nfs/dbraw/zinc/73/96/64/1075739664.db2.gz YIIJABMUAWUBRO-GOSISDBHSA-N 1 0 419.551 1.625 20 0 HDADRO C[N@H+](CCN1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1)Cc1ccccc1 ZINC000429475906 1075739803 /nfs/dbraw/zinc/73/98/03/1075739803.db2.gz ZTIWRTXWLXXPQH-FQEVSTJZSA-N 1 0 415.582 1.845 20 0 HDADRO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)ccc1F ZINC000446788361 1075742616 /nfs/dbraw/zinc/74/26/16/1075742616.db2.gz XOWSISIPNFMHDO-UHFFFAOYSA-N 1 0 401.364 1.901 20 0 HDADRO COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000429477512 1075745174 /nfs/dbraw/zinc/74/51/74/1075745174.db2.gz SFKXQNNECKBMFX-CYBMUJFWSA-N 1 0 424.567 1.523 20 0 HDADRO Cn1ncc(I)c1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000508857812 1075745619 /nfs/dbraw/zinc/74/56/19/1075745619.db2.gz GGLXYFPGQVDYKO-UHFFFAOYSA-N 1 0 414.251 1.740 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000543689330 1075747384 /nfs/dbraw/zinc/74/73/84/1075747384.db2.gz BEVMMNQMCRBFPY-UHFFFAOYSA-N 1 0 409.552 1.496 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000804221363 1075754626 /nfs/dbraw/zinc/75/46/26/1075754626.db2.gz KYBJOAHETGYIIX-CVEARBPZSA-N 1 0 412.575 1.985 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000804221365 1075755934 /nfs/dbraw/zinc/75/59/34/1075755934.db2.gz KYBJOAHETGYIIX-HZPDHXFCSA-N 1 0 412.575 1.985 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3cnc(C4CC4)nc3N)c2)C1 ZINC000497689357 1075756681 /nfs/dbraw/zinc/75/66/81/1075756681.db2.gz REHHLGNTQRDURC-QGZVFWFLSA-N 1 0 408.506 1.564 20 0 HDADRO Nc1noc(CCNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)n1 ZINC000558953524 1075758035 /nfs/dbraw/zinc/75/80/35/1075758035.db2.gz BQWFBYRDABFHRH-RBUKOAKNSA-N 1 0 406.490 2.162 20 0 HDADRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000500516358 1075758307 /nfs/dbraw/zinc/75/83/07/1075758307.db2.gz IPQRLRWHODJHKF-UHFFFAOYSA-N 1 0 406.437 1.857 20 0 HDADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000508558758 1075758945 /nfs/dbraw/zinc/75/89/45/1075758945.db2.gz UMERVJFCMWODED-UHFFFAOYSA-N 1 0 410.478 1.838 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCN2c3ccccc3C[C@@H]2C)CC1 ZINC000509446169 1075759023 /nfs/dbraw/zinc/75/90/23/1075759023.db2.gz FBESBHNUIFSPLN-SFHVURJKSA-N 1 0 401.555 1.633 20 0 HDADRO C[N@H+](CCCNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)Cc1ccccc1 ZINC000504642472 1075759607 /nfs/dbraw/zinc/75/96/07/1075759607.db2.gz OUBJVOHDIVWOKH-UHFFFAOYSA-N 1 0 406.490 1.903 20 0 HDADRO COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000732481591 1075759846 /nfs/dbraw/zinc/75/98/46/1075759846.db2.gz AGELQCNRGBBIBH-FQEVSTJZSA-N 1 0 412.490 1.235 20 0 HDADRO COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000732483900 1075761571 /nfs/dbraw/zinc/76/15/71/1075761571.db2.gz YXFAXRISJLKAAC-IBGZPJMESA-N 1 0 401.463 1.424 20 0 HDADRO COc1cccc([C@H](O)CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000732483901 1075761614 /nfs/dbraw/zinc/76/16/14/1075761614.db2.gz YXFAXRISJLKAAC-LJQANCHMSA-N 1 0 401.463 1.424 20 0 HDADRO CC(C)(C)OC(=O)c1ccc(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC000442403187 1075763844 /nfs/dbraw/zinc/76/38/44/1075763844.db2.gz QQDGABJJLYTRQE-UHFFFAOYSA-N 1 0 421.457 2.478 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@H](O)c1ccc(F)cc1 ZINC000732491711 1075765317 /nfs/dbraw/zinc/76/53/17/1075765317.db2.gz YENZZLUFOGKVFD-LIRRHRJNSA-N 1 0 403.454 1.943 20 0 HDADRO Nc1nsc(N2CCN(C(=O)NCC3(C[NH+]4CCOCC4)CCCCC3)CC2)n1 ZINC000495034731 1075767500 /nfs/dbraw/zinc/76/75/00/1075767500.db2.gz AEOZHHPNHJBAKR-UHFFFAOYSA-N 1 0 423.587 1.235 20 0 HDADRO CN(Cc1ccc(Br)o1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427022328 1075767826 /nfs/dbraw/zinc/76/78/26/1075767826.db2.gz IKZLSXJBQABMHI-UHFFFAOYSA-N 1 0 424.299 2.102 20 0 HDADRO C[NH+]1CCC(C)(CNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000509448377 1075768071 /nfs/dbraw/zinc/76/80/71/1075768071.db2.gz FXEQWKJGLQSHRU-UHFFFAOYSA-N 1 0 423.457 1.712 20 0 HDADRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000556039349 1075776594 /nfs/dbraw/zinc/77/65/94/1075776594.db2.gz KCKJQZWUNKLJSN-UHFFFAOYSA-N 1 0 418.295 1.951 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC000804225362 1075777714 /nfs/dbraw/zinc/77/77/14/1075777714.db2.gz HSJWYTBGTCUWBT-UHFFFAOYSA-N 1 0 422.570 1.837 20 0 HDADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)Nc3cc(C(C)(C)C)on3)cn2)CC1 ZINC000441913685 1075777773 /nfs/dbraw/zinc/77/77/73/1075777773.db2.gz WUOFXLLZBUIECW-UHFFFAOYSA-N 1 0 401.467 2.417 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@H]3CCCN(c4ccccc4)C3)n2)CC1 ZINC000435214778 1075779730 /nfs/dbraw/zinc/77/97/30/1075779730.db2.gz SWVJSZZIMLIIEG-GOSISDBHSA-N 1 0 424.549 2.121 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)NCC(=O)N[C@H]3CCOc4ccccc43)n2)CC1 ZINC000504777974 1075783832 /nfs/dbraw/zinc/78/38/32/1075783832.db2.gz HLZHAZLBSYHNDK-KRWDZBQOSA-N 1 0 412.494 1.911 20 0 HDADRO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(F)cc1 ZINC000485536403 1075784276 /nfs/dbraw/zinc/78/42/76/1075784276.db2.gz JPFOSWDGRKKYOI-HNNXBMFYSA-N 1 0 406.502 1.104 20 0 HDADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000486513028 1075787358 /nfs/dbraw/zinc/78/73/58/1075787358.db2.gz LOYPFCAQTGDEHA-KRWDZBQOSA-N 1 0 405.609 1.411 20 0 HDADRO C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427254307 1075788610 /nfs/dbraw/zinc/78/86/10/1075788610.db2.gz YIXAEWMLMFEKSP-DNVCBOLYSA-N 1 0 411.506 1.939 20 0 HDADRO C[C@H](c1ccc(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1)N1CCOCC1 ZINC000439631007 1075789766 /nfs/dbraw/zinc/78/97/66/1075789766.db2.gz FAMHBGRDJMTULT-MRXNPFEDSA-N 1 0 420.473 2.238 20 0 HDADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CC(F)F)n2)CC1 ZINC000444565428 1075790427 /nfs/dbraw/zinc/79/04/27/1075790427.db2.gz BQJYMZTUGNGKGQ-CQSZACIVSA-N 1 0 405.449 2.429 20 0 HDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509271361 1075792342 /nfs/dbraw/zinc/79/23/42/1075792342.db2.gz CSIFEXKBQTWNSV-OAGGEKHMSA-N 1 0 414.597 1.740 20 0 HDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509271363 1075792416 /nfs/dbraw/zinc/79/24/16/1075792416.db2.gz CSIFEXKBQTWNSV-PMPSAXMXSA-N 1 0 414.597 1.740 20 0 HDADRO CN1CCN(S(=O)(=O)c2ccc(NC[C@@H]3CCC[N@@H+]3C3CCCCC3)nc2)CC1 ZINC000435591542 1075792804 /nfs/dbraw/zinc/79/28/04/1075792804.db2.gz CRGYOZBPMZNCGO-IBGZPJMESA-N 1 0 421.611 2.227 20 0 HDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000804236533 1075792891 /nfs/dbraw/zinc/79/28/91/1075792891.db2.gz SYNLJZBDDLBHHE-CGNZLSCGSA-N 1 0 417.550 1.574 20 0 HDADRO CN1CCO[C@@H]([C@@H](NC(=O)Nc2nc3ccccn3n2)c2ccc(Cl)cc2)C1 ZINC000546817287 1075794576 /nfs/dbraw/zinc/79/45/76/1075794576.db2.gz CLZKXNVJYDBCNN-WBVHZDCISA-N 1 0 400.870 2.576 20 0 HDADRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)C1 ZINC000468449048 1075797325 /nfs/dbraw/zinc/79/73/25/1075797325.db2.gz JZKPHMVHIABILY-KRWDZBQOSA-N 1 0 412.538 2.086 20 0 HDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000804244116 1075798938 /nfs/dbraw/zinc/79/89/38/1075798938.db2.gz SZZHJVBYLJURTM-UHFFFAOYSA-N 1 0 410.559 1.787 20 0 HDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000804244158 1075799005 /nfs/dbraw/zinc/79/90/05/1075799005.db2.gz VRXGNUGVPPOIGD-CGZBRXJRSA-N 1 0 410.559 1.596 20 0 HDADRO CC[NH+]1CCC(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)(C(F)(F)F)CC1 ZINC001129307105 1075800109 /nfs/dbraw/zinc/80/01/09/1075800109.db2.gz NHRGLRRNVWLCJK-UHFFFAOYSA-N 1 0 408.465 1.329 20 0 HDADRO Nc1cc(N)[nH+]c(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)n1 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ZINC000429135915 1073736749 /nfs/dbraw/zinc/73/67/49/1073736749.db2.gz ONNYMFREJFQCPG-UHFFFAOYSA-N 1 0 417.959 1.778 20 0 HDADRO C[C@H](CCNC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)[N@H+](C)Cc1ccccc1 ZINC000673788214 1073742537 /nfs/dbraw/zinc/74/25/37/1073742537.db2.gz BSJPQXPKWWSLAG-CQSZACIVSA-N 1 0 400.454 1.890 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cccc(Cn3cccn3)c2)C1 ZINC000673789340 1073743644 /nfs/dbraw/zinc/74/36/44/1073743644.db2.gz IZTLNAKKWWHEEG-HXUWFJFHSA-N 1 0 413.522 1.829 20 0 HDADRO C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000673802073 1073750707 /nfs/dbraw/zinc/75/07/07/1073750707.db2.gz ILRUHIJJLIXPCJ-MOPGFXCFSA-N 1 0 417.550 1.810 20 0 HDADRO O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673809388 1073762247 /nfs/dbraw/zinc/76/22/47/1073762247.db2.gz BVEFTMYQLHNZGD-UHFFFAOYSA-N 1 0 407.482 1.391 20 0 HDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)[C@H](C)C1 ZINC000429142871 1073763445 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CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1=O ZINC000673929905 1073901421 /nfs/dbraw/zinc/90/14/21/1073901421.db2.gz PJCYYKOQWGKRPO-QVKFZJNVSA-N 1 0 411.462 1.658 20 0 HDADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000673930300 1073902991 /nfs/dbraw/zinc/90/29/91/1073902991.db2.gz HJXPTYROSIYPHT-ZBEGNZNMSA-N 1 0 403.405 1.480 20 0 HDADRO CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000014521263 1073903022 /nfs/dbraw/zinc/90/30/22/1073903022.db2.gz CYJSFLCKYIZUEG-UHFFFAOYSA-N 1 0 417.535 1.692 20 0 HDADRO C[C@@H]([NH2+][C@H](C)c1cnn(C)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543506414 1073904108 /nfs/dbraw/zinc/90/41/08/1073904108.db2.gz RHEJKKBJCROUGZ-HUUCEWRRSA-N 1 0 421.523 1.119 20 0 HDADRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000429174499 1073943538 /nfs/dbraw/zinc/94/35/38/1073943538.db2.gz YSYZPRPZGDRPGY-NNMXDRDESA-N 1 0 420.529 1.538 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000509181204 1073959312 /nfs/dbraw/zinc/95/93/12/1073959312.db2.gz CLJQTVYCUYOPPY-HNNXBMFYSA-N 1 0 419.613 1.972 20 0 HDADRO Cc1c([C@H](C)[NH2+]CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cnn1C ZINC000543517346 1073959725 /nfs/dbraw/zinc/95/97/25/1073959725.db2.gz AJFPKMOUAAYCAD-AWEZNQCLSA-N 1 0 423.514 1.051 20 0 HDADRO O=C(CC[N@H+](CCO)CCN1CCOCC1)Nc1cccc(Br)c1 ZINC000484382532 1073959759 /nfs/dbraw/zinc/95/97/59/1073959759.db2.gz HHMUAYGHIPRZMF-UHFFFAOYSA-N 1 0 400.317 1.404 20 0 HDADRO CC[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1OCC(=O)NC ZINC000673973887 1073960775 /nfs/dbraw/zinc/96/07/75/1073960775.db2.gz DRLDKDUALHGRMO-JXFKEZNVSA-N 1 0 408.568 1.999 20 0 HDADRO C[C@@H](NCC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1nnc2ccccn21 ZINC000543516931 1073961842 /nfs/dbraw/zinc/96/18/42/1073961842.db2.gz RFZRAXFOOGNXDY-QGZVFWFLSA-N 1 0 400.527 1.531 20 0 HDADRO C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000429179298 1073966916 /nfs/dbraw/zinc/96/69/16/1073966916.db2.gz FXJDQFLWTBQSRW-GOSISDBHSA-N 1 0 407.946 1.771 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCC(=O)OCc2ccccc2)CC1=O ZINC000766044899 1073971163 /nfs/dbraw/zinc/97/11/63/1073971163.db2.gz NSNKYIYZEAVGLJ-MOPGFXCFSA-N 1 0 401.507 1.569 20 0 HDADRO CCn1c2ccc(C(=O)N3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2[nH]c(=O)c1=O ZINC000670444092 1073990762 /nfs/dbraw/zinc/99/07/62/1073990762.db2.gz DYSKKMMCPHKXGN-MRXNPFEDSA-N 1 0 400.479 1.037 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000429183680 1073993189 /nfs/dbraw/zinc/99/31/89/1073993189.db2.gz PCWYKQNSQARGDU-GOSISDBHSA-N 1 0 411.572 1.125 20 0 HDADRO COCc1nc2n(n1)C[C@H](NC(=O)NCC1([NH+]3CCSCC3)CCCCC1)CC2 ZINC000466580817 1074009793 /nfs/dbraw/zinc/00/97/93/1074009793.db2.gz GJEHTBGDDZKQAP-MRXNPFEDSA-N 1 0 422.599 1.790 20 0 HDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000543533366 1074029296 /nfs/dbraw/zinc/02/92/96/1074029296.db2.gz 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409.531 1.431 20 0 HDADRO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CCN1CCCS1(=O)=O ZINC000674494800 1074405331 /nfs/dbraw/zinc/40/53/31/1074405331.db2.gz CFGVYAOYFVPGKB-GOSISDBHSA-N 1 0 422.595 1.123 20 0 HDADRO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429231013 1074415047 /nfs/dbraw/zinc/41/50/47/1074415047.db2.gz YWXBKTITDULNGC-YJBOKZPZSA-N 1 0 409.552 1.130 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000674583906 1074464577 /nfs/dbraw/zinc/46/45/77/1074464577.db2.gz NCVPCRWCTCYABJ-HTAPYJJXSA-N 1 0 413.522 1.035 20 0 HDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(COC(C)(C)C)cc1)C[NH+]1CCN(C)CC1 ZINC000674585359 1074465075 /nfs/dbraw/zinc/46/50/75/1074465075.db2.gz BYTHSBRIJWEXNN-KRWDZBQOSA-N 1 0 404.555 1.940 20 0 HDADRO C[C@H](CNC(=O)C(=O)Nc1ccc(COC(C)(C)C)cc1)C[NH+]1CCN(C)CC1 ZINC000674585360 1074465556 /nfs/dbraw/zinc/46/55/56/1074465556.db2.gz BYTHSBRIJWEXNN-QGZVFWFLSA-N 1 0 404.555 1.940 20 0 HDADRO 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1074487140 /nfs/dbraw/zinc/48/71/40/1074487140.db2.gz ZBPFZYUEVGSWMT-MDOVXXIYSA-N 1 0 419.551 1.905 20 0 HDADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+](C)C2(CO)CCC2)CC1 ZINC000429236335 1074496512 /nfs/dbraw/zinc/49/65/12/1074496512.db2.gz LAHMXYOALLCTME-UHFFFAOYSA-N 1 0 402.539 1.233 20 0 HDADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000674638016 1074497656 /nfs/dbraw/zinc/49/76/56/1074497656.db2.gz BPXRTDGNDKXXMR-GCJKJVERSA-N 1 0 415.538 1.789 20 0 HDADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)C2)CC1 ZINC000674644160 1074502544 /nfs/dbraw/zinc/50/25/44/1074502544.db2.gz RPDUOJBWTMPPSD-SPEDKVCISA-N 1 0 419.570 1.860 20 0 HDADRO CC[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C)C(=O)N1CCOCC1 ZINC000674647197 1074503877 /nfs/dbraw/zinc/50/38/77/1074503877.db2.gz HTJJMJMCMXRHAZ-UYAOXDASSA-N 1 0 402.539 1.930 20 0 HDADRO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668309 1074518682 /nfs/dbraw/zinc/51/86/82/1074518682.db2.gz XPPNICPOZVMTCB-VQIMIIECSA-N 1 0 407.580 1.821 20 0 HDADRO C[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674667726 1074519204 /nfs/dbraw/zinc/51/92/04/1074519204.db2.gz LRHNWSALAZCXGJ-OAHLLOKOSA-N 1 0 409.552 1.110 20 0 HDADRO C[C@@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674669264 1074519694 /nfs/dbraw/zinc/51/96/94/1074519694.db2.gz LCHQBTLAEWDRGJ-MRXNPFEDSA-N 1 0 407.580 1.868 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC000674743854 1074545716 /nfs/dbraw/zinc/54/57/16/1074545716.db2.gz RGTLGYNEBBHIRI-VQIMIIECSA-N 1 0 413.522 1.525 20 0 HDADRO NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cc1 ZINC000674756425 1074549146 /nfs/dbraw/zinc/54/91/46/1074549146.db2.gz BIBTYDKBQFDCMB-UHFFFAOYSA-N 1 0 417.531 1.862 20 0 HDADRO Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000674757114 1074549938 /nfs/dbraw/zinc/54/99/38/1074549938.db2.gz WLRLHOSUOFHWOX-UHFFFAOYSA-N 1 0 403.504 1.851 20 0 HDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1 ZINC000674778542 1074553237 /nfs/dbraw/zinc/55/32/37/1074553237.db2.gz LBGOXOMVTWJWTP-KDOFPFPSSA-N 1 0 421.492 1.538 20 0 HDADRO C[C@@H]1CN(c2ccc(NC(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cc2)CCO1 ZINC000766068451 1074561450 /nfs/dbraw/zinc/56/14/50/1074561450.db2.gz CBMQPLLTSKGBEI-XLIONFOSSA-N 1 0 415.538 1.682 20 0 HDADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000674790395 1074567804 /nfs/dbraw/zinc/56/78/04/1074567804.db2.gz GHOYYCLHNRVMIF-LPHOPBHVSA-N 1 0 419.551 1.430 20 0 HDADRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000674871091 1074592787 /nfs/dbraw/zinc/59/27/87/1074592787.db2.gz IVQXWJWKPPYWTQ-IBGZPJMESA-N 1 0 424.611 1.893 20 0 HDADRO COc1cc(OC)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1F ZINC000674889968 1074598141 /nfs/dbraw/zinc/59/81/41/1074598141.db2.gz ZNYIJVWGBRKNBU-CQSZACIVSA-N 1 0 408.474 1.020 20 0 HDADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cn2)CC1 ZINC000674916497 1074613518 /nfs/dbraw/zinc/61/35/18/1074613518.db2.gz PLEJUPXKNZSGMR-OALUTQOASA-N 1 0 403.527 1.313 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000674917454 1074614682 /nfs/dbraw/zinc/61/46/82/1074614682.db2.gz JTQZAWZDSLLPTD-FGZHOGPDSA-N 1 0 416.566 1.914 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000543610366 1074657509 /nfs/dbraw/zinc/65/75/09/1074657509.db2.gz ZKLOBUVMEKXGJG-UHFFFAOYSA-N 1 0 412.534 1.549 20 0 HDADRO Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000766086140 1074659121 /nfs/dbraw/zinc/65/91/21/1074659121.db2.gz ZCOGNTRXBMRLKN-GOSISDBHSA-N 1 0 415.494 1.722 20 0 HDADRO NC(=O)C1CC[NH+](CCCCNC(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1 ZINC000674989814 1074662696 /nfs/dbraw/zinc/66/26/96/1074662696.db2.gz PLAHVOVNRXMUCX-UHFFFAOYSA-N 1 0 417.432 1.510 20 0 HDADRO Cc1cc(Cl)ccc1OCCCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000448493517 1074663337 /nfs/dbraw/zinc/66/33/37/1074663337.db2.gz WYCXMDJYRMYNNP-UHFFFAOYSA-N 1 0 407.902 1.930 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)[C@H]3CSCN3C(=O)C(C)(C)C)CC2)CC1 ZINC000543611525 1074665067 /nfs/dbraw/zinc/66/50/67/1074665067.db2.gz MTRWUOHFAMJOJU-QGZVFWFLSA-N 1 0 410.628 1.810 20 0 HDADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)CC1 ZINC000429309785 1074669677 /nfs/dbraw/zinc/66/96/77/1074669677.db2.gz VBDOWXOUMVAVDZ-OPVJXMOQSA-N 1 0 416.566 1.565 20 0 HDADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000674995376 1074671875 /nfs/dbraw/zinc/67/18/75/1074671875.db2.gz ABYGSGSGTUXWHN-WOJBJXKFSA-N 1 0 419.522 1.752 20 0 HDADRO O=C(Nc1ccccc1C[NH+]1CCSCC1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000674997371 1074675112 /nfs/dbraw/zinc/67/51/12/1074675112.db2.gz NBAUXJOPBWPRTA-MOPGFXCFSA-N 1 0 419.547 1.580 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000477003931 1074683827 /nfs/dbraw/zinc/68/38/27/1074683827.db2.gz CVIRWFWUBMNXNR-INIZCTEOSA-N 1 0 403.527 1.414 20 0 HDADRO COc1ccccc1N1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1=O ZINC000675002933 1074684333 /nfs/dbraw/zinc/68/43/33/1074684333.db2.gz ULJMPSLDJWYPIA-LZLYRXPVSA-N 1 0 402.495 1.041 20 0 HDADRO Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)nn1-c1ccc(F)cc1F ZINC000564756090 1074684505 /nfs/dbraw/zinc/68/45/05/1074684505.db2.gz WIGOCCYNPFDCBD-SWLSCSKDSA-N 1 0 405.449 2.339 20 0 HDADRO O=C(Cn1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1)N1CCOCC1 ZINC000604952545 1074690092 /nfs/dbraw/zinc/69/00/92/1074690092.db2.gz FRVCVEOASGEXGM-LJQANCHMSA-N 1 0 411.506 1.593 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000477011474 1074694575 /nfs/dbraw/zinc/69/45/75/1074694575.db2.gz YXYYGTCUHPYJTB-SFHVURJKSA-N 1 0 402.539 1.055 20 0 HDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)[NH+]1CCCC1 ZINC000142545911 1074696891 /nfs/dbraw/zinc/69/68/91/1074696891.db2.gz SAGXCDSIVXNLDK-KRWDZBQOSA-N 1 0 400.523 1.781 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CCN2C1=O ZINC000675084167 1074700631 /nfs/dbraw/zinc/70/06/31/1074700631.db2.gz MRFYEBJZQLQEKA-GJZGRUSLSA-N 1 0 405.524 1.563 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCCC3)CCN2C1=O ZINC000675085283 1074701478 /nfs/dbraw/zinc/70/14/78/1074701478.db2.gz QLEZFBZIDNYBKC-IBGZPJMESA-N 1 0 413.522 1.850 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NCc3ccccc3C[NH+](CC)CC)CCN2C1=O ZINC000675085066 1074701523 /nfs/dbraw/zinc/70/15/23/1074701523.db2.gz GCZOTBINTCFIKA-SFHVURJKSA-N 1 0 401.511 1.706 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCOc3cccc(F)c3C2)CC1 ZINC000675087624 1074703038 /nfs/dbraw/zinc/70/30/38/1074703038.db2.gz RMKYCISDBOVYKQ-UHFFFAOYSA-N 1 0 407.486 1.552 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000477026112 1074703645 /nfs/dbraw/zinc/70/36/45/1074703645.db2.gz 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JRCNHHWKHMBLIW-IAGOWNOFSA-N 1 0 412.534 1.916 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000433879227 1075165456 /nfs/dbraw/zinc/16/54/56/1075165456.db2.gz UYSXWTLMVPUOQF-AWEZNQCLSA-N 1 0 401.492 1.767 20 0 HDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1nn([C@@H](C)c2ccccc2)cc1C ZINC000472432171 1075166214 /nfs/dbraw/zinc/16/62/14/1075166214.db2.gz XEEHVHBVFLODHQ-KRWDZBQOSA-N 1 0 401.511 1.776 20 0 HDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000490501260 1075171354 /nfs/dbraw/zinc/17/13/54/1075171354.db2.gz RIUHKLPGOAZXAM-AWEZNQCLSA-N 1 0 405.886 1.691 20 0 HDADRO COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)C1 ZINC000440070143 1075171763 /nfs/dbraw/zinc/17/17/63/1075171763.db2.gz JEDNZFYLDCTQRG-HNNXBMFYSA-N 1 0 405.886 1.610 20 0 HDADRO O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473000689 1075174705 /nfs/dbraw/zinc/17/47/05/1075174705.db2.gz NQUWBPVHIHKSLP-IYBDPMFKSA-N 1 0 421.423 1.974 20 0 HDADRO CN(C)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000675491314 1075175206 /nfs/dbraw/zinc/17/52/06/1075175206.db2.gz IUGSADLMIFLCTL-MRXNPFEDSA-N 1 0 403.504 1.906 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)C2CCN(c3ccc4nncn4n3)CC2)c2ccccc2O1 ZINC000675490475 1075175290 /nfs/dbraw/zinc/17/52/90/1075175290.db2.gz CXJQLNCVOYZDEM-QGZVFWFLSA-N 1 0 421.505 1.697 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)cc2)c2ccccc2O1 ZINC000675491460 1075175622 /nfs/dbraw/zinc/17/56/22/1075175622.db2.gz NBUYSWSRRWPYLJ-SFHVURJKSA-N 1 0 417.531 1.748 20 0 HDADRO COCCOc1cc(C)ccc1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000577579540 1075185336 /nfs/dbraw/zinc/18/53/36/1075185336.db2.gz YUNGTDRJBQAGSF-UHFFFAOYSA-N 1 0 415.494 2.061 20 0 HDADRO CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)c1 ZINC000675511216 1075189703 /nfs/dbraw/zinc/18/97/03/1075189703.db2.gz CYNDGQXQHSDHIC-INIZCTEOSA-N 1 0 403.504 1.954 20 0 HDADRO O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000484369790 1075193472 /nfs/dbraw/zinc/19/34/72/1075193472.db2.gz NZCPJGKQTPBAGV-UHFFFAOYSA-N 1 0 410.522 1.936 20 0 HDADRO CN(C)C(=O)CCN1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000675535684 1075193804 /nfs/dbraw/zinc/19/38/04/1075193804.db2.gz JZGDDQFNMANYLA-OAQYLSRUSA-N 1 0 415.582 1.704 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000675537465 1075194534 /nfs/dbraw/zinc/19/45/34/1075194534.db2.gz AWNVHDQUDGUSIO-CRAIPNDOSA-N 1 0 415.490 1.180 20 0 HDADRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000675538038 1075194899 /nfs/dbraw/zinc/19/48/99/1075194899.db2.gz PZQUUNUASKNUOH-DYESRHJHSA-N 1 0 404.530 1.706 20 0 HDADRO Cc1nnnn1-c1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000466684764 1075195324 /nfs/dbraw/zinc/19/53/24/1075195324.db2.gz UPYVGAFUBPWEOO-DNVCBOLYSA-N 1 0 419.489 1.688 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nnc(C(C)(C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000466685242 1075201057 /nfs/dbraw/zinc/20/10/57/1075201057.db2.gz ZRAUNMFRIMKJSN-HIFRSBDPSA-N 1 0 401.536 2.553 20 0 HDADRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)C1 ZINC000446750305 1075202361 /nfs/dbraw/zinc/20/23/61/1075202361.db2.gz GHARLRADSVMYNT-HNNXBMFYSA-N 1 0 402.474 1.844 20 0 HDADRO CN1CCC([NH+]2CCC(NC(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CC2)CC1 ZINC000675557523 1075202414 /nfs/dbraw/zinc/20/24/14/1075202414.db2.gz OWHAVKYYHBEQPO-IBGZPJMESA-N 1 0 405.587 1.635 20 0 HDADRO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)no1 ZINC000465365901 1075202651 /nfs/dbraw/zinc/20/26/51/1075202651.db2.gz NXVMWAHNHCCJHE-MRXNPFEDSA-N 1 0 424.567 2.147 20 0 HDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675558554 1075202932 /nfs/dbraw/zinc/20/29/32/1075202932.db2.gz LGFQNTQARSKTFJ-ZWKOTPCHSA-N 1 0 407.559 1.019 20 0 HDADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1)c1ccco1 ZINC000448511474 1075209614 /nfs/dbraw/zinc/20/96/14/1075209614.db2.gz HLQFFBFAKXFIRD-LBPRGKRZSA-N 1 0 401.389 2.176 20 0 HDADRO C[C@@H]1CN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC[N@@H+](C2CCC2)C1 ZINC000429360409 1075210014 /nfs/dbraw/zinc/21/00/14/1075210014.db2.gz ANDTYRUKXGUAAK-XLIONFOSSA-N 1 0 411.612 1.751 20 0 HDADRO C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1nc(Cc2ccccc2)no1 ZINC000429360052 1075210981 /nfs/dbraw/zinc/21/09/81/1075210981.db2.gz FCHKQIAHZXFCKU-GOEBONIOSA-N 1 0 400.483 1.360 20 0 HDADRO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000550787333 1075212440 /nfs/dbraw/zinc/21/24/40/1075212440.db2.gz BGHYOESHBLNUHW-UHFFFAOYSA-N 1 0 422.327 2.374 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000804219399 1075213664 /nfs/dbraw/zinc/21/36/64/1075213664.db2.gz XDFQUHULMVXJDR-IIBYNOLFSA-N 1 0 410.559 1.692 20 0 HDADRO CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)[NH+]1CCC(C)CC1 ZINC000675586533 1075215989 /nfs/dbraw/zinc/21/59/89/1075215989.db2.gz VOWIYMIHPINMFN-MOPGFXCFSA-N 1 0 405.543 1.873 20 0 HDADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)Nc3cnn(CC4CC4)c3)c2)CC1 ZINC000675601617 1075218185 /nfs/dbraw/zinc/21/81/85/1075218185.db2.gz KJKBIGLKCMCZBF-UHFFFAOYSA-N 1 0 424.505 1.568 20 0 HDADRO Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)no1 ZINC000469916598 1075222625 /nfs/dbraw/zinc/22/26/25/1075222625.db2.gz JNCJQWNQEHELFR-DLBZAZTESA-N 1 0 424.567 2.147 20 0 HDADRO CN(C(=O)[C@H](c1ccccc1)N1CCC(O)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675606090 1075222789 /nfs/dbraw/zinc/22/27/89/1075222789.db2.gz VACWVDOOIMCINU-GGAORHGYSA-N 1 0 414.594 1.811 20 0 HDADRO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000675607309 1075223085 /nfs/dbraw/zinc/22/30/85/1075223085.db2.gz FTHGVPBNHFBNIP-UHFFFAOYSA-N 1 0 400.483 1.469 20 0 HDADRO Cc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(OC[C@@H]2CCCO2)c1 ZINC000675607749 1075224778 /nfs/dbraw/zinc/22/47/78/1075224778.db2.gz PDGCVTNHBIXTBY-KRWDZBQOSA-N 1 0 415.494 1.888 20 0 HDADRO CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)c2)n1 ZINC000675607717 1075225053 /nfs/dbraw/zinc/22/50/53/1075225053.db2.gz ONTDXCBKAFPFPA-UHFFFAOYSA-N 1 0 423.477 1.747 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cn1 ZINC000675609016 1075225818 /nfs/dbraw/zinc/22/58/18/1075225818.db2.gz ZNFDCAORZROYPV-GOSISDBHSA-N 1 0 401.467 1.580 20 0 HDADRO O=C(Nc1ccccc1OCC(F)F)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000675588312 1075226116 /nfs/dbraw/zinc/22/61/16/1075226116.db2.gz YCUDLZSFYXALBW-HNNXBMFYSA-N 1 0 411.449 1.982 20 0 HDADRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC1 ZINC000490285495 1075226585 /nfs/dbraw/zinc/22/65/85/1075226585.db2.gz IMUUBHUZDALYBK-UHFFFAOYSA-N 1 0 410.400 1.825 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccn(CCc3ccncc3)n2)CC1=O ZINC000591642135 1075229003 /nfs/dbraw/zinc/22/90/03/1075229003.db2.gz FHVCRBCTZFQSSH-RBUKOAKNSA-N 1 0 410.522 1.792 20 0 HDADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000675591546 1075230127 /nfs/dbraw/zinc/23/01/27/1075230127.db2.gz JMMAYRXCQIRWNY-IRXDYDNUSA-N 1 0 402.543 1.249 20 0 HDADRO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)ccc1F ZINC000675594489 1075231489 /nfs/dbraw/zinc/23/14/89/1075231489.db2.gz YHWKCJXFPGRKLB-QGZVFWFLSA-N 1 0 403.458 1.518 20 0 HDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000675594399 1075231569 /nfs/dbraw/zinc/23/15/69/1075231569.db2.gz HOYJSCNOKCUDJP-IMFGXOCKSA-N 1 0 411.506 1.952 20 0 HDADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000675595551 1075233701 /nfs/dbraw/zinc/23/37/01/1075233701.db2.gz VLFJRDQWBIEVAI-JFIYKMOQSA-N 1 0 405.543 1.873 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000466692777 1075238912 /nfs/dbraw/zinc/23/89/12/1075238912.db2.gz TVPIDJPRAYAXRC-MAUKXSAKSA-N 1 0 410.474 1.268 20 0 HDADRO CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675653192 1075247711 /nfs/dbraw/zinc/24/77/11/1075247711.db2.gz QGPZDCVYBMBBGH-IBGZPJMESA-N 1 0 412.538 1.625 20 0 HDADRO Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000675700903 1075255946 /nfs/dbraw/zinc/25/59/46/1075255946.db2.gz SIZSTQDIERUVCJ-SFHVURJKSA-N 1 0 416.570 1.645 20 0 HDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000543643473 1075257130 /nfs/dbraw/zinc/25/71/30/1075257130.db2.gz XESMCFCGOIXSJD-CQSZACIVSA-N 1 0 416.975 1.990 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000675714224 1075259447 /nfs/dbraw/zinc/25/94/47/1075259447.db2.gz ZHRGJVVAHCOGJI-SFTDATJTSA-N 1 0 401.555 1.679 20 0 HDADRO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000675736028 1075261244 /nfs/dbraw/zinc/26/12/44/1075261244.db2.gz HDKJAZNUPSOAGM-HOTGVXAUSA-N 1 0 400.566 1.947 20 0 HDADRO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000675736029 1075261344 /nfs/dbraw/zinc/26/13/44/1075261344.db2.gz HDKJAZNUPSOAGM-HZPDHXFCSA-N 1 0 400.566 1.947 20 0 HDADRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000543644337 1075263597 /nfs/dbraw/zinc/26/35/97/1075263597.db2.gz GCNCUIPPLIJNFR-GOSISDBHSA-N 1 0 403.575 1.360 20 0 HDADRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cccc(-n2cnnn2)c1 ZINC000675770971 1075269186 /nfs/dbraw/zinc/26/91/86/1075269186.db2.gz GUIYWPBFBFYGCB-KDOFPFPSSA-N 1 0 408.462 1.638 20 0 HDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000466697459 1075277154 /nfs/dbraw/zinc/27/71/54/1075277154.db2.gz QXBCMYXUZOVTTI-YOEHRIQHSA-N 1 0 416.503 1.052 20 0 HDADRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000675819758 1075277208 /nfs/dbraw/zinc/27/72/08/1075277208.db2.gz SFCLYXIBFCTKBK-INIZCTEOSA-N 1 0 407.458 1.739 20 0 HDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000675820251 1075277292 /nfs/dbraw/zinc/27/72/92/1075277292.db2.gz YNKOJTDSQVLQHD-CQSZACIVSA-N 1 0 412.947 1.149 20 0 HDADRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000675819017 1075277303 /nfs/dbraw/zinc/27/73/03/1075277303.db2.gz JQJUUICOBJIDMW-AWEZNQCLSA-N 1 0 409.581 1.741 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cccc(CN3CCCC3=O)c2)CC1 ZINC000675837898 1075280675 /nfs/dbraw/zinc/28/06/75/1075280675.db2.gz XTGQHZLTYWJHPT-IBGZPJMESA-N 1 0 413.522 1.579 20 0 HDADRO CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H]1n1cccn1 ZINC001129088981 1075284826 /nfs/dbraw/zinc/28/48/26/1075284826.db2.gz KHSYWVVJKMAARV-ICBNADEASA-N 1 0 406.527 1.376 20 0 HDADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000675895869 1075287743 /nfs/dbraw/zinc/28/77/43/1075287743.db2.gz JQITYTYARQRXDD-VAMGGRTRSA-N 1 0 405.564 1.924 20 0 HDADRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)ccc1S(C)(=O)=O ZINC000675885509 1075289027 /nfs/dbraw/zinc/28/90/27/1075289027.db2.gz CVVFVDQTELGTAI-AEFFLSMTSA-N 1 0 411.568 1.156 20 0 HDADRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000675886511 1075289511 /nfs/dbraw/zinc/28/95/11/1075289511.db2.gz SDSIBIRBDIUCSA-ZWKOTPCHSA-N 1 0 420.554 1.417 20 0 HDADRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000675886507 1075289538 /nfs/dbraw/zinc/28/95/38/1075289538.db2.gz SDSIBIRBDIUCSA-QZTJIDSGSA-N 1 0 420.554 1.417 20 0 HDADRO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCN(CCN3CCOCC3)C2)cc1 ZINC000675886308 1075289571 /nfs/dbraw/zinc/28/95/71/1075289571.db2.gz QRTHJTRXQJBKBY-XLIONFOSSA-N 1 0 410.584 1.505 20 0 HDADRO CCOC(=O)[C@@](C)(CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccccc1 ZINC000471187412 1075290076 /nfs/dbraw/zinc/29/00/76/1075290076.db2.gz LVXSAUPYDGEBAF-QFIPXVFZSA-N 1 0 421.457 1.843 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)COCc2nc3ccccc3s2)CC1 ZINC000675916341 1075290811 /nfs/dbraw/zinc/29/08/11/1075290811.db2.gz GYDIZQNKGGULNM-INIZCTEOSA-N 1 0 402.520 1.578 20 0 HDADRO 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C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(n2cccn2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000731355280 1075319228 /nfs/dbraw/zinc/31/92/28/1075319228.db2.gz PQZCRHZVHMTPRA-CABCVRRESA-N 1 0 405.524 1.433 20 0 HDADRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000466708520 1075320682 /nfs/dbraw/zinc/32/06/82/1075320682.db2.gz RYFGSGMDAUWRRK-QGZVFWFLSA-N 1 0 405.524 1.669 20 0 HDADRO CCOC(=O)c1cn(C)nc1NC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000541447721 1075320742 /nfs/dbraw/zinc/32/07/42/1075320742.db2.gz AEFFMONLDAXGFA-UHFFFAOYSA-N 1 0 414.510 1.666 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)c1ccc(Cl)cc1 ZINC000676022570 1075327026 /nfs/dbraw/zinc/32/70/26/1075327026.db2.gz OHXJDHTXTSMPMO-IAGOWNOFSA-N 1 0 421.929 1.121 20 0 HDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@]1(O)CCCc2ccccc21 ZINC000731404347 1075331165 /nfs/dbraw/zinc/33/11/65/1075331165.db2.gz ARYNTAZETRDGIN-SIKLNZKXSA-N 1 0 402.539 1.452 20 0 HDADRO 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ZINC000676092112 1075352809 /nfs/dbraw/zinc/35/28/09/1075352809.db2.gz XREYHEQITPAJMK-UHFFFAOYSA-N 1 0 411.418 1.548 20 0 HDADRO COc1ccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(C(F)(F)F)c1 ZINC000676093528 1075353951 /nfs/dbraw/zinc/35/39/51/1075353951.db2.gz MWVKJCVHNNKLPG-UHFFFAOYSA-N 1 0 413.400 1.727 20 0 HDADRO CCCCCC(=O)NC1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676093767 1075353981 /nfs/dbraw/zinc/35/39/81/1075353981.db2.gz OSDBEKYTLMVQNP-UHFFFAOYSA-N 1 0 406.531 1.071 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cn1 ZINC000676093328 1075354777 /nfs/dbraw/zinc/35/47/77/1075354777.db2.gz QXWXATRTFKELOF-UHFFFAOYSA-N 1 0 417.485 1.387 20 0 HDADRO CN(CCc1ccc(Br)cc1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676094803 1075355182 /nfs/dbraw/zinc/35/51/82/1075355182.db2.gz RODIQOUIVABTGE-UHFFFAOYSA-N 1 0 422.327 1.847 20 0 HDADRO C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676094135 1075356593 /nfs/dbraw/zinc/35/65/93/1075356593.db2.gz QWWRRPRAMBQHGA-AWEZNQCLSA-N 1 0 401.467 1.249 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000676094137 1075356890 /nfs/dbraw/zinc/35/68/90/1075356890.db2.gz QXJDZMAEETUTQO-UHFFFAOYSA-N 1 0 424.505 1.893 20 0 HDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000466711162 1075356937 /nfs/dbraw/zinc/35/69/37/1075356937.db2.gz RNFIIVMISOCZNJ-YJBOKZPZSA-N 1 0 405.462 1.380 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000676096549 1075359543 /nfs/dbraw/zinc/35/95/43/1075359543.db2.gz ZWBHKRUSGYTYNB-KRWDZBQOSA-N 1 0 424.848 1.781 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCCO[C@H]2CCCc3ccccc32)cn1 ZINC000676096462 1075359571 /nfs/dbraw/zinc/35/95/71/1075359571.db2.gz MFTMTZXTVSMJLJ-FQEVSTJZSA-N 1 0 413.522 1.984 20 0 HDADRO O=C(NCCc1ccn(-c2ccc(F)cc2)n1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676097874 1075361149 /nfs/dbraw/zinc/36/11/49/1075361149.db2.gz XANXQQMYGRYVIN-UHFFFAOYSA-N 1 0 419.420 1.890 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000676097839 1075361638 /nfs/dbraw/zinc/36/16/38/1075361638.db2.gz WDIDGFWKZAVMIQ-IBGZPJMESA-N 1 0 401.430 1.960 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000466712814 1075363010 /nfs/dbraw/zinc/36/30/10/1075363010.db2.gz ZJOVZRZKABIWIH-UHFFFAOYSA-N 1 0 408.572 1.308 20 0 HDADRO CC1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)CC1 ZINC000676098610 1075363484 /nfs/dbraw/zinc/36/34/84/1075363484.db2.gz SFHQCXDHWPLWAO-UHFFFAOYSA-N 1 0 424.505 1.703 20 0 HDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC1 ZINC000543656664 1075363877 /nfs/dbraw/zinc/36/38/77/1075363877.db2.gz AGVUBWFFCXERHO-MRXNPFEDSA-N 1 0 421.485 1.753 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCc2csc(-c3ccccc3)n2)cn1 ZINC000676099765 1075364141 /nfs/dbraw/zinc/36/41/41/1075364141.db2.gz WRIRNHHJQBFZOX-UHFFFAOYSA-N 1 0 412.519 1.866 20 0 HDADRO O=C(NCc1ccc(O)c(Br)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676099480 1075364965 /nfs/dbraw/zinc/36/49/65/1075364965.db2.gz DDCUCBGYNLQRBV-UHFFFAOYSA-N 1 0 416.235 1.990 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(Nc2ncnc3c2c(Br)nn3C)CC1 ZINC000731481397 1075365369 /nfs/dbraw/zinc/36/53/69/1075365369.db2.gz QVSMOHJYXKUVAS-UHFFFAOYSA-N 1 0 410.320 1.480 20 0 HDADRO C[C@@H]1CN(c2ccccc2NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H](C)O1 ZINC000676099346 1075365398 /nfs/dbraw/zinc/36/53/98/1075365398.db2.gz FYFGVIMKZRZQMK-IYBDPMFKSA-N 1 0 414.510 1.636 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1nc(Cc2ccccc2)no1 ZINC000676099252 1075365886 /nfs/dbraw/zinc/36/58/86/1075365886.db2.gz NAIUNBBFPBZQLS-CQSZACIVSA-N 1 0 411.466 1.234 20 0 HDADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=S)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000731490759 1075367205 /nfs/dbraw/zinc/36/72/05/1075367205.db2.gz SQOZMUQAAVCRHF-MRXNPFEDSA-N 1 0 404.561 1.701 20 0 HDADRO COc1ccc(CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1F ZINC000426930868 1075367295 /nfs/dbraw/zinc/36/72/95/1075367295.db2.gz 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ZINC000509427700 1075635038 /nfs/dbraw/zinc/63/50/38/1075635038.db2.gz ZWJTWTDWVQHZJY-SFHVURJKSA-N 1 0 412.490 1.213 20 0 HDADRO O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 ZINC000732112849 1075635110 /nfs/dbraw/zinc/63/51/10/1075635110.db2.gz HLSSWMZOLJNNSU-OAQYLSRUSA-N 1 0 421.497 1.910 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000676659012 1075641407 /nfs/dbraw/zinc/64/14/07/1075641407.db2.gz IFCDHDCWARXZLY-INIZCTEOSA-N 1 0 423.517 1.650 20 0 HDADRO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1OC ZINC000732149872 1075649422 /nfs/dbraw/zinc/64/94/22/1075649422.db2.gz SLIGJUCGZHSULF-RBSFLKMASA-N 1 0 404.511 1.274 20 0 HDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC000732150154 1075650622 /nfs/dbraw/zinc/65/06/22/1075650622.db2.gz YVKXZCGAXXALLG-MJGOQNOKSA-N 1 0 415.538 1.325 20 0 HDADRO CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCc2c1cnn2C ZINC000676716650 1075658303 /nfs/dbraw/zinc/65/83/03/1075658303.db2.gz WIERDLQKPNZHGT-LJQANCHMSA-N 1 0 403.571 1.881 20 0 HDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000429459517 1075660146 /nfs/dbraw/zinc/66/01/46/1075660146.db2.gz ZBPKWDMNOCFPQP-OAHLLOKOSA-N 1 0 417.597 1.886 20 0 HDADRO C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000676729499 1075662577 /nfs/dbraw/zinc/66/25/77/1075662577.db2.gz HYOVSYNCBDDFNE-FUHWJXTLSA-N 1 0 400.523 1.140 20 0 HDADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000676730963 1075664280 /nfs/dbraw/zinc/66/42/80/1075664280.db2.gz YYCQCIGWGDVTEO-UHFFFAOYSA-N 1 0 419.493 1.873 20 0 HDADRO CNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 ZINC000732207254 1075665460 /nfs/dbraw/zinc/66/54/60/1075665460.db2.gz NYQCXLMBFOGBOX-HZPDHXFCSA-N 1 0 412.490 1.995 20 0 HDADRO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000509432052 1075668233 /nfs/dbraw/zinc/66/82/33/1075668233.db2.gz PCJBTXXGFSCISF-RYUDHWBXSA-N 1 0 410.540 1.556 20 0 HDADRO CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732214746 1075669906 /nfs/dbraw/zinc/66/99/06/1075669906.db2.gz VKJGAGJTZXBOMR-PGRDOPGGSA-N 1 0 413.522 1.129 20 0 HDADRO CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000429461577 1075672210 /nfs/dbraw/zinc/67/22/10/1075672210.db2.gz LAVCFJNLFBFYMM-CYBMUJFWSA-N 1 0 416.444 1.795 20 0 HDADRO CC(C)N1CC[C@@H]([N@H+](C)CCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O ZINC001036603422 1075673778 /nfs/dbraw/zinc/67/37/78/1075673778.db2.gz JWBSXRCMDAVTKZ-ZPLOVTKXSA-N 1 0 403.567 1.980 20 0 HDADRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000732204670 1075675727 /nfs/dbraw/zinc/67/57/27/1075675727.db2.gz ZZTIJYWWTDBXAJ-AVYPCKFXSA-N 1 0 414.547 1.910 20 0 HDADRO CNS(=O)(=O)C1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000732243328 1075678235 /nfs/dbraw/zinc/67/82/35/1075678235.db2.gz OQANWOPFBKSSJM-UHFFFAOYSA-N 1 0 400.589 1.754 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCc2ccc(Br)cc2F)C1 ZINC000732246610 1075679426 /nfs/dbraw/zinc/67/94/26/1075679426.db2.gz VVSHSDOZJSLJGS-ZDUSSCGKSA-N 1 0 415.307 1.975 20 0 HDADRO CC1CC[NH+](CCCNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC000028069711 1075681883 /nfs/dbraw/zinc/68/18/83/1075681883.db2.gz RIKVBRMEOJIAEN-IBGZPJMESA-N 1 0 423.579 1.996 20 0 HDADRO NC(=O)COc1ccc(C[NH2+]CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000732231419 1075684695 /nfs/dbraw/zinc/68/46/95/1075684695.db2.gz VIIOHRROPWZDAG-UHFFFAOYSA-N 1 0 416.909 1.643 20 0 HDADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C1 ZINC000425996168 1075686158 /nfs/dbraw/zinc/68/61/58/1075686158.db2.gz OJAWWVAHBJFTCT-GOEBONIOSA-N 1 0 401.540 1.787 20 0 HDADRO CCc1ccccc1O[C@H](C)C(=O)N1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000537872218 1075687077 /nfs/dbraw/zinc/68/70/77/1075687077.db2.gz CIZNCONLLBYRLD-MRXNPFEDSA-N 1 0 421.505 1.923 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000804216971 1075691347 /nfs/dbraw/zinc/69/13/47/1075691347.db2.gz RKYGXZAPWXVZQS-ULQDDVLXSA-N 1 0 412.575 1.985 20 0 HDADRO CN1CCN([C@H](C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c2ccccc2)CC1 ZINC000732307489 1075695718 /nfs/dbraw/zinc/69/57/18/1075695718.db2.gz HDFFPLLFTRFSHR-YADHBBJMSA-N 1 0 400.567 1.735 20 0 HDADRO O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)[C@H]2C1 ZINC001084996526 1075696342 /nfs/dbraw/zinc/69/63/42/1075696342.db2.gz MGXRUANOPOEFJO-LLVBAIKDSA-N 1 0 400.519 1.653 20 0 HDADRO Cn1nnc2cc(C[N@@H+]3CC[C@@H]4CCN(C(=O)[C@@H]5C[C@@H]6O[C@H]5[C@H]5C[C@H]56)C[C@@H]43)ccc21 ZINC001084992707 1075697861 /nfs/dbraw/zinc/69/78/61/1075697861.db2.gz OLBSYISINCKSFJ-JNYIRXQFSA-N 1 0 407.518 1.815 20 0 HDADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)[C@H]2C1 ZINC001084992531 1075697873 /nfs/dbraw/zinc/69/78/73/1075697873.db2.gz FPKLVTFBMVTJQK-GCNBINEPSA-N 1 0 408.564 1.157 20 0 HDADRO C[NH+](C)C1(CNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CCCC1 ZINC000485446420 1075698416 /nfs/dbraw/zinc/69/84/16/1075698416.db2.gz ORTZOJAQQJPVAI-UHFFFAOYSA-N 1 0 411.554 1.914 20 0 HDADRO O=C(COc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1)N1CCCC1 ZINC000429257022 1075699343 /nfs/dbraw/zinc/69/93/43/1075699343.db2.gz YYJBWGNPQDZHRO-SFHVURJKSA-N 1 0 416.522 1.874 20 0 HDADRO CCCCn1c(N)c(N(C(=O)C[N@H+](C)C(C)(C)COC)C2CCCC2)c(=O)[nH]c1=O ZINC000429258230 1075703031 /nfs/dbraw/zinc/70/30/31/1075703031.db2.gz GPEBXWZSUTWNOQ-UHFFFAOYSA-N 1 0 423.558 1.964 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444657095 1075704405 /nfs/dbraw/zinc/70/44/05/1075704405.db2.gz JEKZFJAQDOWQEZ-OAHLLOKOSA-N 1 0 405.449 2.210 20 0 HDADRO Cc1ccc(Nc2nc(N)nc(CN3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)n2)cc1 ZINC000491017669 1075704691 /nfs/dbraw/zinc/70/46/91/1075704691.db2.gz DVUICMWXWMFCKN-PKOBYXMFSA-N 1 0 410.570 1.964 20 0 HDADRO CCC[C@H]1CN(C(=O)CCc2c(C)nc3nc(N)nn3c2C)CC[N@@H+]1CCOC ZINC000501586826 1075706249 /nfs/dbraw/zinc/70/62/49/1075706249.db2.gz CWXNVHFLBUOEHP-INIZCTEOSA-N 1 0 403.531 1.215 20 0 HDADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 ZINC000605931887 1075711206 /nfs/dbraw/zinc/71/12/06/1075711206.db2.gz DVLKETMDNGYZCD-IAGOWNOFSA-N 1 0 420.558 1.620 20 0 HDADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000448497734 1075711251 /nfs/dbraw/zinc/71/12/51/1075711251.db2.gz VZTXRDIZUXSHTH-CHWSQXEVSA-N 1 0 403.449 2.257 20 0 HDADRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccccc1F ZINC000507141318 1075714822 /nfs/dbraw/zinc/71/48/22/1075714822.db2.gz JBCLBTJHALHXNN-SFHVURJKSA-N 1 0 419.420 1.984 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(CCN3CCOCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000467478466 1075715126 /nfs/dbraw/zinc/71/51/26/1075715126.db2.gz ORSPFCINYPKCBE-UYAOXDASSA-N 1 0 412.538 2.000 20 0 HDADRO C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000509252546 1075715968 /nfs/dbraw/zinc/71/59/68/1075715968.db2.gz ARFQHZLOAAZLIF-LSDHHAIUSA-N 1 0 400.570 1.352 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CCC1 ZINC000446167663 1075717544 /nfs/dbraw/zinc/71/75/44/1075717544.db2.gz JQCYNUNZJVDEDU-UHFFFAOYSA-N 1 0 410.400 1.825 20 0 HDADRO Cn1cnc(NC(=O)C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000555969967 1075718945 /nfs/dbraw/zinc/71/89/45/1075718945.db2.gz RINIAMKNOJRMJO-UHFFFAOYSA-N 1 0 406.490 1.962 20 0 HDADRO COCCOc1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000429470161 1075719031 /nfs/dbraw/zinc/71/90/31/1075719031.db2.gz SGAOZYCHYBGUKB-CQSZACIVSA-N 1 0 412.918 1.056 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2cc3ccccn3n2)CC1 ZINC000554412085 1075719212 /nfs/dbraw/zinc/71/92/12/1075719212.db2.gz MVKSOLOWKABOMN-UHFFFAOYSA-N 1 0 400.527 2.282 20 0 HDADRO Cn1cnc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000555938574 1075719228 /nfs/dbraw/zinc/71/92/28/1075719228.db2.gz QYULPRKOPVENHT-ZFWWWQNUSA-N 1 0 424.427 1.972 20 0 HDADRO CC(=O)N1CCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC12CCCCC2 ZINC000499869267 1075719963 /nfs/dbraw/zinc/71/99/63/1075719963.db2.gz JKUVVDWIDMJQAF-UHFFFAOYSA-N 1 0 418.542 1.614 20 0 HDADRO CCCNC(=O)CCC(=O)OCC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000732353569 1075720526 /nfs/dbraw/zinc/72/05/26/1075720526.db2.gz XZUKMVPEMVZVQX-UHFFFAOYSA-N 1 0 403.523 1.879 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC[N@@H+]1C ZINC000559650016 1075722935 /nfs/dbraw/zinc/72/29/35/1075722935.db2.gz JFJQWWPQFYEQNN-TZMCWYRMSA-N 1 0 420.311 2.172 20 0 HDADRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000446894400 1075723723 /nfs/dbraw/zinc/72/37/23/1075723723.db2.gz MHHZFJMSBLARTL-UHFFFAOYSA-N 1 0 407.515 2.504 20 0 HDADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)ccc1OCC(F)(F)F ZINC000429471051 1075724576 /nfs/dbraw/zinc/72/45/76/1075724576.db2.gz 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Cc1ccccc1[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C(C)C ZINC000514397232 1076022393 /nfs/dbraw/zinc/02/23/93/1076022393.db2.gz DXDFIBSRHLFXOM-HSZRJFAPSA-N 1 0 416.566 1.285 20 0 HDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000733274220 1076026971 /nfs/dbraw/zinc/02/69/71/1076026971.db2.gz VFRAACSWZPJHGL-UTKZUKDTSA-N 1 0 404.486 1.973 20 0 HDADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[NH+](C4CCC4)CC3)C2=O)cc1 ZINC000733274985 1076027288 /nfs/dbraw/zinc/02/72/88/1076027288.db2.gz FPMRAECSCGKZJS-NRFANRHFSA-N 1 0 400.479 1.159 20 0 HDADRO NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000733275958 1076027398 /nfs/dbraw/zinc/02/73/98/1076027398.db2.gz RUUCPFGSVPJWJR-NHHWLVAYSA-N 1 0 410.518 1.486 20 0 HDADRO Cc1ccccc1CCNC(=O)[C@H](C)ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O ZINC000733306004 1076033965 /nfs/dbraw/zinc/03/39/65/1076033965.db2.gz FFRVJRXLUMRRTL-HNNXBMFYSA-N 1 0 413.522 1.538 20 0 HDADRO COc1ccc([C@@H](CNC(=S)NCCNS(C)(=O)=O)[NH+]2CCCCC2)cc1 ZINC000727067756 1076037407 /nfs/dbraw/zinc/03/74/07/1076037407.db2.gz JGUUHWIHMHHZEL-QGZVFWFLSA-N 1 0 414.597 1.236 20 0 HDADRO CC1CC[NH+]([C@@H](CNC(=S)NCCNS(C)(=O)=O)c2cccs2)CC1 ZINC000727066177 1076037451 /nfs/dbraw/zinc/03/74/51/1076037451.db2.gz HXFOZFDAYDSNEP-AWEZNQCLSA-N 1 0 404.627 1.534 20 0 HDADRO COc1ccc([C@@]2(C)NC(=O)N(NC(=S)NCC(C)(C)C[NH+](C)C)C2=O)cc1 ZINC000727068068 1076037671 /nfs/dbraw/zinc/03/76/71/1076037671.db2.gz WQHVAVWESMZHEE-LJQANCHMSA-N 1 0 407.540 1.429 20 0 HDADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000733330884 1076045254 /nfs/dbraw/zinc/04/52/54/1076045254.db2.gz RKSUAPXIJIQLHE-UHFFFAOYSA-N 1 0 404.511 1.653 20 0 HDADRO CO[C@@H](CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C(F)(F)F ZINC000733357218 1076051211 /nfs/dbraw/zinc/05/12/11/1076051211.db2.gz QYLICFGWZZISMB-HOTGVXAUSA-N 1 0 416.444 1.760 20 0 HDADRO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000733359862 1076052022 /nfs/dbraw/zinc/05/20/22/1076052022.db2.gz HWYPFTWQJMPKAO-OAHLLOKOSA-N 1 0 410.540 1.304 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1 ZINC000727105433 1076052114 /nfs/dbraw/zinc/05/21/14/1076052114.db2.gz BNJJQMYFUGJOLS-WAYWQWQTSA-N 1 0 401.511 1.936 20 0 HDADRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3F)cc2)CC1 ZINC000733369657 1076057100 /nfs/dbraw/zinc/05/71/00/1076057100.db2.gz TWCRQPRRJZFLBI-UHFFFAOYSA-N 1 0 406.483 1.867 20 0 HDADRO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]Cc1ccn(C2CCCC2)n1 ZINC001082658789 1076062531 /nfs/dbraw/zinc/06/25/31/1076062531.db2.gz XJPRTTVNLREUTR-QFIDOLFYSA-N 1 0 402.539 1.986 20 0 HDADRO Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000684015127 1076063208 /nfs/dbraw/zinc/06/32/08/1076063208.db2.gz ZSMMAMJIDGZFQD-PKOBYXMFSA-N 1 0 411.506 1.943 20 0 HDADRO Cc1cnc([C@@H](NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C2CC2)s1 ZINC000520780836 1076064718 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C[C@H](C(=O)OCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)N1C(=O)CCC1=O ZINC000733449572 1076079544 /nfs/dbraw/zinc/07/95/44/1076079544.db2.gz MMTRLQNWQHQUEU-CQSZACIVSA-N 1 0 419.503 1.255 20 0 HDADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)C[C@H](C)O1 ZINC000727231688 1076086021 /nfs/dbraw/zinc/08/60/21/1076086021.db2.gz SEZXGGMUXJXWAM-FUHIMQAGSA-N 1 0 400.523 1.935 20 0 HDADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)C[C@H](C)O1 ZINC000727231691 1076086037 /nfs/dbraw/zinc/08/60/37/1076086037.db2.gz SEZXGGMUXJXWAM-QKLQHJQFSA-N 1 0 400.523 1.935 20 0 HDADRO Cn1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)c(=O)[nH]c1=O ZINC000727324657 1076093315 /nfs/dbraw/zinc/09/33/15/1076093315.db2.gz HWAHXUXQRSJZIY-UHFFFAOYSA-N 1 0 413.478 1.943 20 0 HDADRO Cc1ccc(N2C[C@H](C(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)CC2=O)cc1 ZINC000727333708 1076094999 /nfs/dbraw/zinc/09/49/99/1076094999.db2.gz LQXKEGKXRTZKEM-HXUWFJFHSA-N 1 0 422.529 1.956 20 0 HDADRO CC(=O)N1C[C@@H](C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)Oc2ccccc21 ZINC000727333965 1076095060 /nfs/dbraw/zinc/09/50/60/1076095060.db2.gz QLXVLQPFGCBZPF-NRFANRHFSA-N 1 0 424.501 1.408 20 0 HDADRO Cn1cc(/C=C\C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000727392931 1076111172 /nfs/dbraw/zinc/11/11/72/1076111172.db2.gz VBDUQJURMQINGF-KTKRTIGZSA-N 1 0 410.518 1.468 20 0 HDADRO CS(=O)(=O)NCCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727397317 1076113276 /nfs/dbraw/zinc/11/32/76/1076113276.db2.gz OLTXCPKSQKUIKI-UHFFFAOYSA-N 1 0 410.540 1.769 20 0 HDADRO C[C@H](OC(=O)COC[C@H]1CCCO1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000733592429 1076119139 /nfs/dbraw/zinc/11/91/39/1076119139.db2.gz BCBVBZWWWASTRN-FXAWDEMLSA-N 1 0 404.507 1.895 20 0 HDADRO Cc1cc(NC[C@@H](O)COc2ccc(I)cc2)nc(N)[nH+]1 ZINC000727432363 1076128245 /nfs/dbraw/zinc/12/82/45/1076128245.db2.gz JNXVINJBJJLCMX-LLVKDONJSA-N 1 0 400.220 1.824 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@H](O)c2cccc(F)c2)c1 ZINC000727479168 1076129700 /nfs/dbraw/zinc/12/97/00/1076129700.db2.gz BAXFBKQFABSINW-IBGZPJMESA-N 1 0 402.470 1.650 20 0 HDADRO CCOC(=O)N1CCC(NC(=O)CCC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000727464344 1076137071 /nfs/dbraw/zinc/13/70/71/1076137071.db2.gz KKRCQSGKTPKDMP-GOSISDBHSA-N 1 0 408.474 1.459 20 0 HDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000733650371 1076141287 /nfs/dbraw/zinc/14/12/87/1076141287.db2.gz ZGOGSEAQCMARMX-MJGOQNOKSA-N 1 0 402.495 1.766 20 0 HDADRO C[NH+](C)CC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000727491194 1076143542 /nfs/dbraw/zinc/14/35/42/1076143542.db2.gz JFEZPJSOCRKFJH-SFHVURJKSA-N 1 0 418.538 1.355 20 0 HDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000733666047 1076146817 /nfs/dbraw/zinc/14/68/17/1076146817.db2.gz OJGRIHVNHQEIAY-CQSZACIVSA-N 1 0 418.885 1.223 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ccc(Br)cn2)C1 ZINC000727549710 1076165677 /nfs/dbraw/zinc/16/56/77/1076165677.db2.gz DDAFWCYEOYAQEO-AWEZNQCLSA-N 1 0 414.300 1.474 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2ccc(-n3nccn3)cc2)c1 ZINC000727589466 1076170752 /nfs/dbraw/zinc/17/07/52/1076170752.db2.gz UVGIBWVXQGIOHW-UHFFFAOYSA-N 1 0 407.478 1.880 20 0 HDADRO COC(=O)Nc1cc(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1F ZINC000727610912 1076180940 /nfs/dbraw/zinc/18/09/40/1076180940.db2.gz LKBZUCFEBRZYBW-CHWSQXEVSA-N 1 0 410.446 1.558 20 0 HDADRO COCCNC(=O)CNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727592214 1076185391 /nfs/dbraw/zinc/18/53/91/1076185391.db2.gz IUEBQZDSGWKNRH-UHFFFAOYSA-N 1 0 419.526 1.775 20 0 HDADRO Cn1ncc2c1nc(CCC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[nH]c2=O ZINC000727715928 1076208876 /nfs/dbraw/zinc/20/88/76/1076208876.db2.gz RKGLHUYBPHBBAB-GOSISDBHSA-N 1 0 423.521 1.106 20 0 HDADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000727733286 1076213549 /nfs/dbraw/zinc/21/35/49/1076213549.db2.gz DFUYXJPFNGLKBW-UHFFFAOYSA-N 1 0 423.510 1.994 20 0 HDADRO NC(=O)[C@@H]1CC(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)=NN1c1ccc(F)cc1 ZINC000727734604 1076214001 /nfs/dbraw/zinc/21/40/01/1076214001.db2.gz OICCIAYSULDQFQ-MJGOQNOKSA-N 1 0 401.486 1.723 20 0 HDADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+]C3(c4ccccc4)CC3)C2=O)c1 ZINC000733795613 1076215053 /nfs/dbraw/zinc/21/50/53/1076215053.db2.gz ZUDNSNIKDUNLOK-NRFANRHFSA-N 1 0 408.458 1.772 20 0 HDADRO CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000733796568 1076215726 /nfs/dbraw/zinc/21/57/26/1076215726.db2.gz MRSSYKHKGFFQGO-MSOLQXFVSA-N 1 0 416.588 1.592 20 0 HDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000727741692 1076216516 /nfs/dbraw/zinc/21/65/16/1076216516.db2.gz HAAMIIADIGBZSP-GFCCVEGCSA-N 1 0 403.932 1.477 20 0 HDADRO COc1ccccc1[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1nccn1C ZINC000733846096 1076217929 /nfs/dbraw/zinc/21/79/29/1076217929.db2.gz MCLPPMOCYVYXLC-SFHVURJKSA-N 1 0 401.511 1.928 20 0 HDADRO 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PGFOJBUSDUYRAZ-USXIJHARSA-N 1 0 402.524 1.256 20 0 HDADRO Cc1nc(CN2CCOC[C@@]3(CN(c4ncc(C)cc4C[NH3+])CCO3)C2)cs1 ZINC001164925074 721830711 /nfs/dbraw/zinc/83/07/11/721830711.db2.gz XTZUIOAEBWLTAX-FQEVSTJZSA-N 1 0 403.552 1.721 20 0 HDADRO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164922206 721835050 /nfs/dbraw/zinc/83/50/50/721835050.db2.gz GDFVQFUIINREHQ-AVRDEDQJSA-N 1 0 424.553 1.283 20 0 HDADRO C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)n2)CC1 ZINC001164925201 721839711 /nfs/dbraw/zinc/83/97/11/721839711.db2.gz ODBAICLACRAQAC-CVDCTZTESA-N 1 0 409.534 1.898 20 0 HDADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1c(Cl)nc(N2CCOCC2)nc1Cl ZINC001164921079 721867670 /nfs/dbraw/zinc/86/76/70/721867670.db2.gz CHJAXPVWRPKPRQ-KBPBESRZSA-N 1 0 415.369 1.835 20 0 HDADRO COC(=O)C1CCN(c2ccnc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)n2)CC1 ZINC001164926999 721872385 /nfs/dbraw/zinc/87/23/85/721872385.db2.gz UGACTFVMFRFOPB-MSOLQXFVSA-N 1 0 402.543 1.081 20 0 HDADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)nc1 ZINC001164935108 721881203 /nfs/dbraw/zinc/88/12/03/721881203.db2.gz VZRLUGKHODHHBI-ZWKOTPCHSA-N 1 0 409.600 1.763 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CC[C@H]4[C@@H](CC(=O)NC5CCC5)OC[C@@H]4C3)nn2)CC1 ZINC001164929751 721895143 /nfs/dbraw/zinc/89/51/43/721895143.db2.gz AGNNMPJPLOQAFT-QXAKKESOSA-N 1 0 414.554 1.129 20 0 HDADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(S(N)(=O)=O)cn4)CC3)C2)cc1 ZINC001164938911 721924942 /nfs/dbraw/zinc/92/49/42/721924942.db2.gz AWRLLIGZWYSAMM-UHFFFAOYSA-N 1 0 416.547 1.909 20 0 HDADRO O=C1COc2ccnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2N1 ZINC001164963156 722056184 /nfs/dbraw/zinc/05/61/84/722056184.db2.gz HSOJCBMAKQDBFY-UHFFFAOYSA-N 1 0 409.490 1.927 20 0 HDADRO NC(=O)c1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164980832 722103356 /nfs/dbraw/zinc/10/33/56/722103356.db2.gz KOJJHSXZYBTEBN-WBVHZDCISA-N 1 0 401.898 1.956 20 0 HDADRO NC(=O)c1cnc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164981277 722107079 /nfs/dbraw/zinc/10/70/79/722107079.db2.gz KXPCTLHGIXQQDQ-HOCLYGCPSA-N 1 0 402.886 1.351 20 0 HDADRO CNS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983731 722129083 /nfs/dbraw/zinc/12/90/83/722129083.db2.gz ZLDXUQQBQGJYPS-MSOLQXFVSA-N 1 0 417.535 1.112 20 0 HDADRO C[NH+](C)Cc1ccnc(N2CCC[C@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)c1 ZINC001165000780 722218992 /nfs/dbraw/zinc/21/89/92/722218992.db2.gz YRFICRKISLQOAI-QFIPXVFZSA-N 1 0 408.506 1.970 20 0 HDADRO CN1CCN(c2ncnc3c2CCN(c2cccc(N4CCOCC4)[nH+]2)CC3)CC1 ZINC001164997761 722235993 /nfs/dbraw/zinc/23/59/93/722235993.db2.gz VTSIUXDCWHBAMY-UHFFFAOYSA-N 1 0 409.538 1.065 20 0 HDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001165006455 722266740 /nfs/dbraw/zinc/26/67/40/722266740.db2.gz JKRUCXIFYHGXHU-HSZRJFAPSA-N 1 0 424.524 1.558 20 0 HDADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001165006456 722266830 /nfs/dbraw/zinc/26/68/30/722266830.db2.gz JKRUCXIFYHGXHU-QHCPKHFHSA-N 1 0 424.524 1.558 20 0 HDADRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2cccn3c(=O)[nH]nc23)CC1)C(C)C ZINC000509072515 1073460785 /nfs/dbraw/zinc/46/07/85/1073460785.db2.gz VNVHWGPRWCUQEJ-UHFFFAOYSA-N 1 0 416.526 1.522 20 0 HDADRO COC(=O)C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000429046401 1073462422 /nfs/dbraw/zinc/46/24/22/1073462422.db2.gz NJCJXIBVQAOVHM-MOPGFXCFSA-N 1 0 405.495 1.251 20 0 HDADRO CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429047823 1073467471 /nfs/dbraw/zinc/46/74/71/1073467471.db2.gz ZDAPFCLBHIFXLA-JOCHJYFZSA-N 1 0 402.539 1.900 20 0 HDADRO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000014102446 1073496474 /nfs/dbraw/zinc/49/64/74/1073496474.db2.gz OOPFJHMONMBABD-UHFFFAOYSA-N 1 0 413.565 1.376 20 0 HDADRO COCCS(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000429062333 1073497861 /nfs/dbraw/zinc/49/78/61/1073497861.db2.gz QENRUAMTJDHSAA-SFHVURJKSA-N 1 0 409.552 1.734 20 0 HDADRO COC(=O)Cn1cc(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)nn1 ZINC000429077957 1073518455 /nfs/dbraw/zinc/51/84/55/1073518455.db2.gz WODBKBNMMBQILA-INIZCTEOSA-N 1 0 420.539 1.785 20 0 HDADRO Cc1nnc(COCC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC000509097325 1073521707 /nfs/dbraw/zinc/52/17/07/1073521707.db2.gz JHXUJHGBUMGIMP-OAHLLOKOSA-N 1 0 403.508 1.699 20 0 HDADRO O=S(=O)(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc2c1OCO2 ZINC000509104948 1073532982 /nfs/dbraw/zinc/53/29/82/1073532982.db2.gz ZGCWVIYYYGUGSK-UHFFFAOYSA-N 1 0 403.504 1.511 20 0 HDADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(=O)n(CCOC)n1 ZINC000022284948 1073538943 /nfs/dbraw/zinc/53/89/43/1073538943.db2.gz RMMKYYMRWTUUQC-UHFFFAOYSA-N 1 0 412.494 1.834 20 0 HDADRO CC(C)C[C@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)N1C(=O)c2ccccc2C1=O ZINC000429093250 1073550928 /nfs/dbraw/zinc/55/09/28/1073550928.db2.gz AQRRVYSUTJYTQG-FXAWDEMLSA-N 1 0 415.534 1.906 20 0 HDADRO Cc1ccc(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1S(N)(=O)=O 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/nfs/dbraw/zinc/62/54/00/1073625400.db2.gz OIMLDRLBUPUULR-XZOQPEGZSA-N 1 0 414.594 1.904 20 0 HDADRO NS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000015357230 1073626137 /nfs/dbraw/zinc/62/61/37/1073626137.db2.gz MIPOJXWXTJQJEG-UHFFFAOYSA-N 1 0 423.560 1.798 20 0 HDADRO NS(=O)(=O)c1ccc(F)c(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000673672990 1073628059 /nfs/dbraw/zinc/62/80/59/1073628059.db2.gz OMYMARXODXYIHO-UHFFFAOYSA-N 1 0 420.510 1.302 20 0 HDADRO CN(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1c(F)cccc1Cl ZINC000673673086 1073628189 /nfs/dbraw/zinc/62/81/89/1073628189.db2.gz QIQPKGZMMQINPO-DNVCBOLYSA-N 1 0 412.937 1.605 20 0 HDADRO CC(C)(NC(=O)Nc1ccccc1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673673193 1073628655 /nfs/dbraw/zinc/62/86/55/1073628655.db2.gz RRNRBTHZKUKNTK-SFHVURJKSA-N 1 0 403.527 1.109 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)n1 ZINC000302979649 1073647907 /nfs/dbraw/zinc/64/79/07/1073647907.db2.gz CTHIRUDKKQXYCU-UHFFFAOYSA-N 1 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C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)COCC(=O)NCc1cccnc1 ZINC000673749060 1073672555 /nfs/dbraw/zinc/67/25/55/1073672555.db2.gz DBENWQFRGHJEAY-IBGZPJMESA-N 1 0 410.518 1.837 20 0 HDADRO C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673741352 1073674271 /nfs/dbraw/zinc/67/42/71/1073674271.db2.gz WMGCGALITNZKSD-DOTOQJQBSA-N 1 0 412.538 1.308 20 0 HDADRO C[N@H+](CCCO)C1CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000429120027 1073685037 /nfs/dbraw/zinc/68/50/37/1073685037.db2.gz BQYMETWJGBSMDY-UHFFFAOYSA-N 1 0 417.959 1.732 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)C1 ZINC000673756754 1073691847 /nfs/dbraw/zinc/69/18/47/1073691847.db2.gz JMDSTDIDYZOWPA-HNNXBMFYSA-N 1 0 405.499 1.916 20 0 HDADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H]2C[N@@H+](C[C@@H]3CCNC(=O)CC3)C[C@H]2CC1 ZINC000946688347 1073694205 /nfs/dbraw/zinc/69/42/05/1073694205.db2.gz PSORMCXXLJMQPQ-ZVSVDHOESA-N 1 0 401.551 1.497 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)COc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000673758000 1073696699 /nfs/dbraw/zinc/69/66/99/1073696699.db2.gz KGUNHEJIVLOSEB-QGZVFWFLSA-N 1 0 411.911 1.785 20 0 HDADRO CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000429126560 1073697572 /nfs/dbraw/zinc/69/75/72/1073697572.db2.gz HWIHZKOBUCNEPN-APWZRJJASA-N 1 0 408.568 1.478 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)NCCCN1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000673772470 1073704505 /nfs/dbraw/zinc/70/45/05/1073704505.db2.gz FTUDZZGBKZJVRJ-INIZCTEOSA-N 1 0 402.948 1.668 20 0 HDADRO Cc1cccn2cc(CCNC(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)nc12 ZINC000673773675 1073705555 /nfs/dbraw/zinc/70/55/55/1073705555.db2.gz UUNSPZDNJCYAPB-UHFFFAOYSA-N 1 0 422.533 1.976 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)CC1 ZINC000509139910 1073705664 /nfs/dbraw/zinc/70/56/64/1073705664.db2.gz OJGINMAVEILCBY-WIYYLYMNSA-N 1 0 417.554 1.479 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000673773673 1073705799 /nfs/dbraw/zinc/70/57/99/1073705799.db2.gz UTBYHLUGHMIVNU-SFHVURJKSA-N 1 0 422.595 1.964 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000673773960 1073708556 /nfs/dbraw/zinc/70/85/56/1073708556.db2.gz YVWUEWZGAUPKJD-SFHVURJKSA-N 1 0 408.568 1.718 20 0 HDADRO CC[NH+]1CCC(NC(=O)CSc2nnc(-c3cccs3)n2CCC(N)=O)CC1 ZINC000028948232 1073732263 /nfs/dbraw/zinc/73/22/63/1073732263.db2.gz QHWAZTCZXPRKHE-UHFFFAOYSA-N 1 0 422.580 1.575 20 0 HDADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)C1 ZINC000673786003 1073732364 /nfs/dbraw/zinc/73/23/64/1073732364.db2.gz JZOWZMFNWCWWSG-IBGZPJMESA-N 1 0 412.534 1.938 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1 ZINC000673778111 1073734255 /nfs/dbraw/zinc/73/42/55/1073734255.db2.gz WLNIRIVYUOAPIL-KBAYOESNSA-N 1 0 406.531 1.056 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2)c1ccc(Cl)cc1 ZINC000673788674 1073741387 /nfs/dbraw/zinc/74/13/87/1073741387.db2.gz OFHWBIVUGSWLNH-SFHVURJKSA-N 1 0 414.893 1.984 20 0 HDADRO Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)C2)cn1 ZINC000673789222 1073744260 /nfs/dbraw/zinc/74/42/60/1073744260.db2.gz QNXGWQXCULMGPS-QGZVFWFLSA-N 1 0 413.522 1.780 20 0 HDADRO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1OCCc2sccc21 ZINC000429136581 1073744833 /nfs/dbraw/zinc/74/48/33/1073744833.db2.gz ABFXFUDDFZRYIX-QRWLVFNGSA-N 1 0 422.595 1.399 20 0 HDADRO C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673810658 1073754084 /nfs/dbraw/zinc/75/40/84/1073754084.db2.gz ZBONUSZFKOKDIR-KRWDZBQOSA-N 1 0 411.510 1.818 20 0 HDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)[C@H](C)C1 ZINC000429142866 1073763336 /nfs/dbraw/zinc/76/33/36/1073763336.db2.gz OLENRLSVHNSWFL-APWZRJJASA-N 1 0 411.568 1.978 20 0 HDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)[C@@H](C)C1 ZINC000429142868 1073763427 /nfs/dbraw/zinc/76/34/27/1073763427.db2.gz OLENRLSVHNSWFL-LPHOPBHVSA-N 1 0 411.568 1.978 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000501231547 1073765912 /nfs/dbraw/zinc/76/59/12/1073765912.db2.gz VEOHBJNVHOFECH-CYBMUJFWSA-N 1 0 400.545 1.539 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000501241320 1073766567 /nfs/dbraw/zinc/76/65/67/1073766567.db2.gz CLVDAKGMRGHNCC-SFHVURJKSA-N 1 0 410.584 1.293 20 0 HDADRO O=C(N[C@@H](CCCO)c1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000509154491 1073775121 /nfs/dbraw/zinc/77/51/21/1073775121.db2.gz OXTKTULFUKRDAE-HBMCJLEFSA-N 1 0 417.550 1.501 20 0 HDADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@@H]3CCCN3c3ncccn3)cc2)CC1 ZINC000673834949 1073809311 /nfs/dbraw/zinc/80/93/11/1073809311.db2.gz LCSFEOLEWOKGNZ-FQEVSTJZSA-N 1 0 422.533 1.824 20 0 HDADRO CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673837176 1073811141 /nfs/dbraw/zinc/81/11/41/1073811141.db2.gz DZQFEAKCCWYAQP-GOSISDBHSA-N 1 0 417.945 1.620 20 0 HDADRO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H](CC(N)=O)C3CCOCC3)cs2)c1C ZINC000543492240 1073813235 /nfs/dbraw/zinc/81/32/35/1073813235.db2.gz FYHKFBRYADSILM-OAHLLOKOSA-N 1 0 405.524 1.281 20 0 HDADRO CC(C)CCNC(=O)C1CCN(C(=O)C[NH2+][C@@H](CC(N)=O)C2CCCCC2)CC1 ZINC000543492383 1073821591 /nfs/dbraw/zinc/82/15/91/1073821591.db2.gz VUTBJQMRYKDWFG-IBGZPJMESA-N 1 0 408.587 1.801 20 0 HDADRO CN1CCN(C(=[NH2+])Nc2ccc3c(c2)[C@@H](C(=O)OC(C)(C)C)CCNC3=O)CC1 ZINC001168746390 1073823871 /nfs/dbraw/zinc/82/38/71/1073823871.db2.gz NFCMUMQPHIRBOU-INIZCTEOSA-N 1 0 401.511 1.839 20 0 HDADRO COCCCS(=O)(=O)NCC[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000673855944 1073824238 /nfs/dbraw/zinc/82/42/38/1073824238.db2.gz GQOQCLNFOUTUQP-IBGZPJMESA-N 1 0 403.589 1.445 20 0 HDADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c1 ZINC000543494368 1073824626 /nfs/dbraw/zinc/82/46/26/1073824626.db2.gz GAXXFKZHWAYNQE-RBUKOAKNSA-N 1 0 419.522 1.628 20 0 HDADRO O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673859024 1073827347 /nfs/dbraw/zinc/82/73/47/1073827347.db2.gz DHXJXNJVZWYIJH-UHFFFAOYSA-N 1 0 401.492 1.876 20 0 HDADRO COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)cc1OC ZINC000543494471 1073831064 /nfs/dbraw/zinc/83/10/64/1073831064.db2.gz IUHGEEJAZLLTEL-RHSMWYFYSA-N 1 0 407.511 1.450 20 0 HDADRO CC[C@@H]([NH2+]CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@@H]1CCCO1 ZINC000543494954 1073831139 /nfs/dbraw/zinc/83/11/39/1073831139.db2.gz SLSLPNURWLYUSB-MJGOQNOKSA-N 1 0 409.552 1.763 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cn1 ZINC000673870610 1073835004 /nfs/dbraw/zinc/83/50/04/1073835004.db2.gz OSFFSRWYTSEIQN-UHFFFAOYSA-N 1 0 409.494 1.916 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000673872848 1073840475 /nfs/dbraw/zinc/84/04/75/1073840475.db2.gz NRQMLPKEVQVSPQ-INIZCTEOSA-N 1 0 424.505 1.346 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cn1 ZINC000673868792 1073845685 /nfs/dbraw/zinc/84/56/85/1073845685.db2.gz DZXUKQHACQRMAH-UHFFFAOYSA-N 1 0 420.539 1.124 20 0 HDADRO C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000673868613 1073846369 /nfs/dbraw/zinc/84/63/69/1073846369.db2.gz BVAMUDZYGNLHMD-YLJYHZDGSA-N 1 0 400.527 1.856 20 0 HDADRO C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000673868610 1073846468 /nfs/dbraw/zinc/84/64/68/1073846468.db2.gz BVAMUDZYGNLHMD-FXAWDEMLSA-N 1 0 400.527 1.856 20 0 HDADRO CN(C)c1nc(CNC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)cs1 ZINC000673887797 1073847063 /nfs/dbraw/zinc/84/70/63/1073847063.db2.gz KOTUPYDHNUHPFT-UHFFFAOYSA-N 1 0 405.524 1.795 20 0 HDADRO O=C(NCc1nnnn1-c1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000673879193 1073851604 /nfs/dbraw/zinc/85/16/04/1073851604.db2.gz WQSOQRSHVMLFKS-ICSRJNTNSA-N 1 0 421.505 1.345 20 0 HDADRO CN(C)c1nc(CNC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cs1 ZINC000673880388 1073852047 /nfs/dbraw/zinc/85/20/47/1073852047.db2.gz AUWZWSONBQIAFX-UHFFFAOYSA-N 1 0 424.615 1.835 20 0 HDADRO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](C(C)(C)CO)CC2)c(=O)n(-c2ccccc2)n1C ZINC000673895248 1073865691 /nfs/dbraw/zinc/86/56/91/1073865691.db2.gz KHLNZTYNFXAFAQ-QGZVFWFLSA-N 1 0 415.538 1.200 20 0 HDADRO COc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000014528300 1073909673 /nfs/dbraw/zinc/90/96/73/1073909673.db2.gz NMYWYUPATASJHB-UHFFFAOYSA-N 1 0 423.535 1.073 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000509176823 1073929791 /nfs/dbraw/zinc/92/97/91/1073929791.db2.gz CPPOGCTWRJSZDJ-LBPRGKRZSA-N 1 0 409.405 1.170 20 0 HDADRO CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC3(C[NH+](C)C)CCC3)CC2)c1 ZINC000466562796 1073931941 /nfs/dbraw/zinc/93/19/41/1073931941.db2.gz BNHHZHOAYFXGOO-UHFFFAOYSA-N 1 0 421.563 1.890 20 0 HDADRO Cn1cc(N2CCN(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC2=O)cn1 ZINC000429179605 1073960725 /nfs/dbraw/zinc/96/07/25/1073960725.db2.gz FZEYFBSBFGVEHE-INIZCTEOSA-N 1 0 402.524 1.677 20 0 HDADRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](CCO)CCN1CCOCC1 ZINC000484377423 1073961810 /nfs/dbraw/zinc/96/18/10/1073961810.db2.gz LHBLYXSQJRTYDE-UHFFFAOYSA-N 1 0 415.538 1.444 20 0 HDADRO CN1CCN([C@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccccc2)CC1 ZINC000670443958 1073990249 /nfs/dbraw/zinc/99/02/49/1073990249.db2.gz YJCJXTPOICXKBO-VXKWHMMOSA-N 1 0 400.567 1.688 20 0 HDADRO COc1ccc(C(=O)NCC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000670444130 1073990755 /nfs/dbraw/zinc/99/07/55/1073990755.db2.gz MFFRCHQPMJNJPK-KRWDZBQOSA-N 1 0 405.495 1.147 20 0 HDADRO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000543523695 1073996883 /nfs/dbraw/zinc/99/68/83/1073996883.db2.gz HQHSBJFOCIVKKD-UHFFFAOYSA-N 1 0 416.522 1.541 20 0 HDADRO O=C(CC[N@H+](CCO)CCN1CCOCC1)Nc1ccc(Br)cc1F ZINC000484426719 1074000606 /nfs/dbraw/zinc/00/06/06/1074000606.db2.gz VTFTXYQBFZTSOJ-UHFFFAOYSA-N 1 0 418.307 1.543 20 0 HDADRO Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000509188414 1074002891 /nfs/dbraw/zinc/00/28/91/1074002891.db2.gz ZUQDOVPPTQHMJD-SFHVURJKSA-N 1 0 412.538 1.495 20 0 HDADRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)NC1CCN(c2cccnn2)CC1 ZINC000429191440 1074034075 /nfs/dbraw/zinc/03/40/75/1074034075.db2.gz GYZYRBAGVMKSFN-VQTJNVASSA-N 1 0 410.522 1.380 20 0 HDADRO CNC(=O)N[C@H]1CCN(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000466594053 1074049198 /nfs/dbraw/zinc/04/91/98/1074049198.db2.gz WPNLUMKVDHYFCM-OALUTQOASA-N 1 0 402.543 1.078 20 0 HDADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466595831 1074050741 /nfs/dbraw/zinc/05/07/41/1074050741.db2.gz JOEPKCVACCWJJO-GOSISDBHSA-N 1 0 420.945 1.271 20 0 HDADRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466593564 1074053484 /nfs/dbraw/zinc/05/34/84/1074053484.db2.gz QYTKYGAMFNMIQR-KRWDZBQOSA-N 1 0 405.930 1.971 20 0 HDADRO C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000466601662 1074065862 /nfs/dbraw/zinc/06/58/62/1074065862.db2.gz OHLUHUCWWDVJBT-GIVPXCGWSA-N 1 0 414.550 1.632 20 0 HDADRO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229083955 1074078016 /nfs/dbraw/zinc/07/80/16/1074078016.db2.gz AUSLGVNCSFHEOV-UYAOXDASSA-N 1 0 416.566 1.843 20 0 HDADRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1 ZINC000466607256 1074083679 /nfs/dbraw/zinc/08/36/79/1074083679.db2.gz LYMPNQWAOADWKS-IBGZPJMESA-N 1 0 409.490 1.863 20 0 HDADRO C[C@@H](NC(=O)Nc1ccccc1OCC(=O)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000674025743 1074085092 /nfs/dbraw/zinc/08/50/92/1074085092.db2.gz OWNVKTQSKYKOEK-MRXNPFEDSA-N 1 0 404.511 1.776 20 0 HDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000543559478 1074091114 /nfs/dbraw/zinc/09/11/14/1074091114.db2.gz SXIMTWBCLLJDIF-HZPDHXFCSA-N 1 0 408.524 1.055 20 0 HDADRO O=C(COc1ccccc1NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCOCC1 ZINC000674026123 1074093616 /nfs/dbraw/zinc/09/36/16/1074093616.db2.gz SXDPDNFUTQRYAU-QGZVFWFLSA-N 1 0 402.495 1.530 20 0 HDADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 ZINC000674041388 1074126425 /nfs/dbraw/zinc/12/64/25/1074126425.db2.gz CXPABHWVWRDDRB-UHFFFAOYSA-N 1 0 400.483 1.165 20 0 HDADRO CC(C)N1C[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)CC1=O ZINC000509210640 1074134050 /nfs/dbraw/zinc/13/40/50/1074134050.db2.gz LMGRHHHWZUPTPA-NJYVYQBISA-N 1 0 409.534 1.761 20 0 HDADRO CC(=O)N1CCCc2cc(S(=O)(=O)NCCN3CCC([NH+](C)C)CC3)ccc21 ZINC000674044380 1074135026 /nfs/dbraw/zinc/13/50/26/1074135026.db2.gz QISHDJLPWAHYMF-UHFFFAOYSA-N 1 0 408.568 1.290 20 0 HDADRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674048476 1074141805 /nfs/dbraw/zinc/14/18/05/1074141805.db2.gz SAIVLSOOQUUXOE-DOTOQJQBSA-N 1 0 416.547 1.965 20 0 HDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1 ZINC000509214847 1074149665 /nfs/dbraw/zinc/14/96/65/1074149665.db2.gz AWJGFZWHMHOPKB-SFHVURJKSA-N 1 0 416.570 1.400 20 0 HDADRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)NC[C@H]1CS(=O)(=O)CCO1 ZINC000509214023 1074152387 /nfs/dbraw/zinc/15/23/87/1074152387.db2.gz WWMUCYUFGFWNRH-GJZGRUSLSA-N 1 0 401.554 1.073 20 0 HDADRO O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000674056642 1074157901 /nfs/dbraw/zinc/15/79/01/1074157901.db2.gz NRBWHGFOBZDISP-HOTGVXAUSA-N 1 0 405.524 1.598 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N(CCO)[C@H]1CCc2ccccc21 ZINC000674158677 1074195568 /nfs/dbraw/zinc/19/55/68/1074195568.db2.gz IELHBMULSIKROD-CTNGQTDRSA-N 1 0 402.539 1.084 20 0 HDADRO O=C(NC[C@@H]1SCCc2ccccc21)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674159731 1074196205 /nfs/dbraw/zinc/19/62/05/1074196205.db2.gz OPAWFJCRYYYLMI-QUCCMNQESA-N 1 0 404.580 1.723 20 0 HDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccccc3CS(C)(=O)=O)C2)CC1 ZINC000674160742 1074196663 /nfs/dbraw/zinc/19/66/63/1074196663.db2.gz YSQYNWKJMNEJNQ-GOSISDBHSA-N 1 0 408.568 1.199 20 0 HDADRO COCC(=O)NC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000674168820 1074201026 /nfs/dbraw/zinc/20/10/26/1074201026.db2.gz NRVOQAKJEQGMEX-XLIONFOSSA-N 1 0 402.539 1.834 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)C(=O)N1CCCC[C@@H]1C ZINC000674200527 1074231665 /nfs/dbraw/zinc/23/16/65/1074231665.db2.gz XTVDPBAFWXPGAF-IRXDYDNUSA-N 1 0 418.538 1.861 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000674225960 1074233536 /nfs/dbraw/zinc/23/35/36/1074233536.db2.gz NVEZLLGMGLXSRS-LIRRHRJNSA-N 1 0 412.465 1.890 20 0 HDADRO Cc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1-c1ccccc1 ZINC000674243284 1074241820 /nfs/dbraw/zinc/24/18/20/1074241820.db2.gz QAHDBDYKMIHDSQ-IBGZPJMESA-N 1 0 410.518 1.899 20 0 HDADRO CC(C)N(CCCNC(=O)CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1)S(C)(=O)=O ZINC000674251748 1074243346 /nfs/dbraw/zinc/24/33/46/1074243346.db2.gz PKDCJULAYXEZLP-FQEVSTJZSA-N 1 0 424.611 1.369 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(COC3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000674300620 1074264231 /nfs/dbraw/zinc/26/42/31/1074264231.db2.gz LYSIQQBDQDPFRQ-APWZRJJASA-N 1 0 415.534 1.740 20 0 HDADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000674307937 1074266559 /nfs/dbraw/zinc/26/65/59/1074266559.db2.gz MCJKARKTPSZWOO-NSISKUIASA-N 1 0 400.523 1.283 20 0 HDADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000674308093 1074266567 /nfs/dbraw/zinc/26/65/67/1074266567.db2.gz GEZPJYIZNLDXLI-ZDUSSCGKSA-N 1 0 409.552 1.981 20 0 HDADRO COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCC[NH+]2CCC(OC)CC2)CC1=O ZINC000674310313 1074268975 /nfs/dbraw/zinc/26/89/75/1074268975.db2.gz AFMBWJPVGCKGMR-AWEZNQCLSA-N 1 0 409.914 1.929 20 0 HDADRO COC1CC[NH+](CCNC(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 ZINC000674317736 1074269046 /nfs/dbraw/zinc/26/90/46/1074269046.db2.gz NSCNZMGNGBFDAE-UHFFFAOYSA-N 1 0 420.510 1.157 20 0 HDADRO COC1CC[NH+](CCNC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC1 ZINC000674310262 1074269092 /nfs/dbraw/zinc/26/90/92/1074269092.db2.gz ZOESOFHMHXOHPF-UHFFFAOYSA-N 1 0 422.469 1.792 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CC1 ZINC000674320742 1074270453 /nfs/dbraw/zinc/27/04/53/1074270453.db2.gz KMLBHNKMARTIJB-UHFFFAOYSA-N 1 0 416.522 1.397 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)CC1 ZINC000674320465 1074270489 /nfs/dbraw/zinc/27/04/89/1074270489.db2.gz JNGLPZZKJAEDRM-KRWDZBQOSA-N 1 0 418.538 1.245 20 0 HDADRO COC1CC[NH+](CCNC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)CC1 ZINC000674324189 1074272903 /nfs/dbraw/zinc/27/29/03/1074272903.db2.gz BBFFNSWUKARVRE-UHFFFAOYSA-N 1 0 401.467 1.188 20 0 HDADRO COC1CC[NH+](CCNC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000674323350 1074273669 /nfs/dbraw/zinc/27/36/69/1074273669.db2.gz BGCWIBCGFCMNGQ-QRVBRYPASA-N 1 0 405.539 1.579 20 0 HDADRO COC1CC[NH+](CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000674325018 1074273751 /nfs/dbraw/zinc/27/37/51/1074273751.db2.gz VNIOXLTZGKTWQC-KRWDZBQOSA-N 1 0 409.552 1.314 20 0 HDADRO COC1CC[NH+](CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000674325019 1074273855 /nfs/dbraw/zinc/27/38/55/1074273855.db2.gz VNIOXLTZGKTWQC-QGZVFWFLSA-N 1 0 409.552 1.314 20 0 HDADRO COC1CC[NH+](CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 ZINC000674324430 1074274708 /nfs/dbraw/zinc/27/47/08/1074274708.db2.gz OGQJOFYTGKNKIX-NRFANRHFSA-N 1 0 410.518 1.650 20 0 HDADRO COc1ccc(-n2c(C)nnc2SCC(=O)NCC[NH+]2CCC(OC)CC2)cc1 ZINC000674324694 1074274853 /nfs/dbraw/zinc/27/48/53/1074274853.db2.gz PUIZOKYBDQMGAQ-UHFFFAOYSA-N 1 0 419.551 1.903 20 0 HDADRO COC1CC[NH+](CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 ZINC000674324435 1074274954 /nfs/dbraw/zinc/27/49/54/1074274954.db2.gz OGQJOFYTGKNKIX-OAQYLSRUSA-N 1 0 410.518 1.650 20 0 HDADRO COc1nc(N2CCN(C(=O)NCCC[NH+](C)C)CC2)ncc1Br ZINC000674325822 1074275238 /nfs/dbraw/zinc/27/52/38/1074275238.db2.gz JBETXUQWACFGQV-UHFFFAOYSA-N 1 0 401.309 1.031 20 0 HDADRO COC1CC[NH+](CCNC(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)CC1 ZINC000674327584 1074277403 /nfs/dbraw/zinc/27/74/03/1074277403.db2.gz WKLXVARXKRCGIE-OAQYLSRUSA-N 1 0 404.555 1.778 20 0 HDADRO COC1CC[NH+](CCNC(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000674328811 1074277855 /nfs/dbraw/zinc/27/78/55/1074277855.db2.gz ZVWALPSQPPQBAN-FQEVSTJZSA-N 1 0 418.538 1.505 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 ZINC000674317403 1074279538 /nfs/dbraw/zinc/27/95/38/1074279538.db2.gz QSBYJZJHOORXOB-SFHVURJKSA-N 1 0 420.558 1.810 20 0 HDADRO Cc1cc(NC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)n(C2CC[NH+](C)CC2)n1 ZINC000674319028 1074279601 /nfs/dbraw/zinc/27/96/01/1074279601.db2.gz MWHQGBYBWBIPLM-PBHICJAKSA-N 1 0 414.514 1.507 20 0 HDADRO COC1CC[NH+](CCNC(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC1 ZINC000674318282 1074280490 /nfs/dbraw/zinc/28/04/90/1074280490.db2.gz YRHYADHXSVSKOS-UHFFFAOYSA-N 1 0 414.503 1.598 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)CC1 ZINC000674320155 1074280824 /nfs/dbraw/zinc/28/08/24/1074280824.db2.gz DBXNIYHMLMLOKY-UHFFFAOYSA-N 1 0 404.511 1.238 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000674321067 1074281964 /nfs/dbraw/zinc/28/19/64/1074281964.db2.gz NXLIRDLYABOOAL-CALCHBBNSA-N 1 0 418.538 1.466 20 0 HDADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000674335837 1074283478 /nfs/dbraw/zinc/28/34/78/1074283478.db2.gz YOZBSDOAAUXYLS-MGPUTAFESA-N 1 0 417.531 1.975 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000674330901 1074285863 /nfs/dbraw/zinc/28/58/63/1074285863.db2.gz AXGSKTPOJPXCBG-MJGOQNOKSA-N 1 0 423.583 1.173 20 0 HDADRO COC1CC[NH+](CCNC(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000674330890 1074285880 /nfs/dbraw/zinc/28/58/80/1074285880.db2.gz AODQXPYXRROCES-HXUWFJFHSA-N 1 0 402.539 1.630 20 0 HDADRO COC1CC[NH+](CCNC(=O)NCC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000674329460 1074285902 /nfs/dbraw/zinc/28/59/02/1074285902.db2.gz BKYMKTMWYYCDHL-UHFFFAOYSA-N 1 0 402.539 1.949 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000674346273 1074288432 /nfs/dbraw/zinc/28/84/32/1074288432.db2.gz LHTCOGKSRVYKHC-MRXNPFEDSA-N 1 0 417.597 1.870 20 0 HDADRO COc1cccc([C@@H](CNC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)[NH+](C)C)c1 ZINC000674391250 1074308030 /nfs/dbraw/zinc/30/80/30/1074308030.db2.gz CZNNZCDIHMFACG-GOSISDBHSA-N 1 0 405.520 1.992 20 0 HDADRO COCC(=O)NC1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000674404094 1074309713 /nfs/dbraw/zinc/30/97/13/1074309713.db2.gz MGKFODKFJAHOTI-UHFFFAOYSA-N 1 0 410.559 1.206 20 0 HDADRO Cc1c[nH+]ccc1N1CCC(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000674411348 1074312787 /nfs/dbraw/zinc/31/27/87/1074312787.db2.gz CYQMNNKNWPFJQJ-UHFFFAOYSA-N 1 0 400.504 1.843 20 0 HDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)C1 ZINC000674428393 1074317081 /nfs/dbraw/zinc/31/70/81/1074317081.db2.gz XCWJOEGEMQJWKT-WOYCLPQFSA-N 1 0 407.559 1.764 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000674420941 1074322179 /nfs/dbraw/zinc/32/21/79/1074322179.db2.gz SAUYMIDHAROPBV-JTSKRJEESA-N 1 0 413.522 1.671 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000674425623 1074328569 /nfs/dbraw/zinc/32/85/69/1074328569.db2.gz FWEUQMGBCNEWDV-IERDGZPVSA-N 1 0 417.510 1.147 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000674427694 1074331116 /nfs/dbraw/zinc/33/11/16/1074331116.db2.gz QWZZPYVPVOOCMM-SVMVAKDDSA-N 1 0 413.522 1.671 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCc2ccccc2OCC[NH+](C)C)C1=O ZINC000674429138 1074331333 /nfs/dbraw/zinc/33/13/33/1074331333.db2.gz KJVUMTZAVIKMDA-HRAATJIYSA-N 1 0 417.510 1.147 20 0 HDADRO CN(CCN1CCCS1(=O)=O)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000674433811 1074332359 /nfs/dbraw/zinc/33/23/59/1074332359.db2.gz 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O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC(CC[NH2+][C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC001034568626 1074771552 /nfs/dbraw/zinc/77/15/52/1074771552.db2.gz LQEKCSMIHFVWFK-ZPLOVTKXSA-N 1 0 401.551 1.782 20 0 HDADRO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)nn1C ZINC000555294259 1074772634 /nfs/dbraw/zinc/77/26/34/1074772634.db2.gz TVAIDMNKZZRELC-LEWJYISDSA-N 1 0 417.513 2.451 20 0 HDADRO C[C@H](O)C[C@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000675272887 1074782795 /nfs/dbraw/zinc/78/27/95/1074782795.db2.gz HZKPASSMYNDGIO-TYPHKJRUSA-N 1 0 404.555 1.247 20 0 HDADRO C[C@H](O)C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000675272882 1074782883 /nfs/dbraw/zinc/78/28/83/1074782883.db2.gz HZKPASSMYNDGIO-JBACZVJFSA-N 1 0 404.555 1.247 20 0 HDADRO C[C@H](O)C[C@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000675272878 1074782966 /nfs/dbraw/zinc/78/29/66/1074782966.db2.gz HZKPASSMYNDGIO-CEWLAPEOSA-N 1 0 404.555 1.247 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000477081373 1074788638 /nfs/dbraw/zinc/78/86/38/1074788638.db2.gz LQSWYBLHFPCROL-QGZVFWFLSA-N 1 0 414.550 1.661 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000477087382 1074790461 /nfs/dbraw/zinc/79/04/61/1074790461.db2.gz WYBKPWZNLMIPPJ-RHSMWYFYSA-N 1 0 407.490 1.395 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000477103856 1074802194 /nfs/dbraw/zinc/80/21/94/1074802194.db2.gz XYFOGFPBUAVLIO-KRWDZBQOSA-N 1 0 404.559 1.404 20 0 HDADRO O=C(NCc1ccc(N2CCCCC2)nc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507150063 1074806433 /nfs/dbraw/zinc/80/64/33/1074806433.db2.gz YULYNKAOTURMTQ-UHFFFAOYSA-N 1 0 405.462 1.908 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC3(CC2)OCc2ccccc23)C1 ZINC000675325848 1074806981 /nfs/dbraw/zinc/80/69/81/1074806981.db2.gz SHYVUNXCKHVXGS-FQEVSTJZSA-N 1 0 401.551 1.981 20 0 HDADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444585383 1074815157 /nfs/dbraw/zinc/81/51/57/1074815157.db2.gz YIWLPOGOZUKONK-UHFFFAOYSA-N 1 0 405.449 2.389 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000477112165 1074817375 /nfs/dbraw/zinc/81/73/75/1074817375.db2.gz ZSVRIOIPFPYFKN-ZWKOTPCHSA-N 1 0 404.555 1.370 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccccc1 ZINC000670503580 1074821753 /nfs/dbraw/zinc/82/17/53/1074821753.db2.gz WNVKMHHCCACROS-MOPGFXCFSA-N 1 0 400.523 1.313 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cnc3c(c2)nnn3C)CC1 ZINC000544562120 1075090481 /nfs/dbraw/zinc/09/04/81/1075090481.db2.gz PIPCXOSSVYYSBO-UHFFFAOYSA-N 1 0 401.515 1.064 20 0 HDADRO COC(=O)c1cc(NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1C ZINC000429338563 1075104634 /nfs/dbraw/zinc/10/46/34/1075104634.db2.gz MVQZOBBUFXJVSJ-OAQYLSRUSA-N 1 0 400.479 1.912 20 0 HDADRO C[N@@H+]1CCN(CCNC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000670513308 1075116428 /nfs/dbraw/zinc/11/64/28/1075116428.db2.gz NGGNZUGWIMBOIR-UHFFFAOYSA-N 1 0 414.472 1.506 20 0 HDADRO CCCn1ccnc1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000429249635 1075118424 /nfs/dbraw/zinc/11/84/24/1075118424.db2.gz SQIFOQHJGPENAF-HNNXBMFYSA-N 1 0 407.540 1.832 20 0 HDADRO CN(C(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000675379828 1075119166 /nfs/dbraw/zinc/11/91/66/1075119166.db2.gz QRNSAMFAKXGBSJ-PBHICJAKSA-N 1 0 422.888 1.396 20 0 HDADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)CC1 ZINC000675396747 1075125962 /nfs/dbraw/zinc/12/59/62/1075125962.db2.gz KZBDZKZOVDZVMR-MSOLQXFVSA-N 1 0 412.538 1.573 20 0 HDADRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(N2CCNC(=O)C2)ccn1 ZINC000429341952 1075130157 /nfs/dbraw/zinc/13/01/57/1075130157.db2.gz UDNIRHQUYGODQC-FQEVSTJZSA-N 1 0 423.517 1.039 20 0 HDADRO CCCOc1ccc(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cn1 ZINC000426945726 1075134784 /nfs/dbraw/zinc/13/47/84/1075134784.db2.gz PDUOWLYBIWUCQS-UHFFFAOYSA-N 1 0 400.483 1.589 20 0 HDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000675412196 1075135935 /nfs/dbraw/zinc/13/59/35/1075135935.db2.gz RQXSDRURZUKASV-IRXDYDNUSA-N 1 0 418.538 1.707 20 0 HDADRO CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000675413026 1075136785 /nfs/dbraw/zinc/13/67/85/1075136785.db2.gz CFXQSARRHSFZDT-MRXNPFEDSA-N 1 0 410.877 1.301 20 0 HDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCN(CC)C(=O)[C@@H]1C ZINC000429345283 1075144857 /nfs/dbraw/zinc/14/48/57/1075144857.db2.gz BTYRBNPKJSJHDA-INIZCTEOSA-N 1 0 403.527 1.922 20 0 HDADRO COCCCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000444511332 1075147301 /nfs/dbraw/zinc/14/73/01/1075147301.db2.gz WZWSMIQVXXVHID-INIZCTEOSA-N 1 0 419.551 1.948 20 0 HDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000675457944 1075156841 /nfs/dbraw/zinc/15/68/41/1075156841.db2.gz BHHBZTYWKKIOKN-CXAGYDPISA-N 1 0 424.904 1.501 20 0 HDADRO CCC[C@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1nnc2ccccn21 ZINC000426909211 1075160376 /nfs/dbraw/zinc/16/03/76/1075160376.db2.gz LTCNOCDMFGTIOX-INIZCTEOSA-N 1 0 424.509 1.789 20 0 HDADRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1NS(C)(=O)=O ZINC000675465719 1075161381 /nfs/dbraw/zinc/16/13/81/1075161381.db2.gz GSBBIKMXZLXNCH-DZGCQCFKSA-N 1 0 415.581 1.887 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCSC[C@@H]1c1nccs1 ZINC000442505945 1075164285 /nfs/dbraw/zinc/16/42/85/1075164285.db2.gz FPKMWAVPEZSONG-CYBMUJFWSA-N 1 0 400.489 1.979 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000603775324 1075165470 /nfs/dbraw/zinc/16/54/70/1075165470.db2.gz UDXLPOMTBNPEBC-AWEZNQCLSA-N 1 0 412.400 1.879 20 0 HDADRO COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)Nc1cc2n(n1)CCCC2)c1ccccc1 ZINC000498760688 1075165526 /nfs/dbraw/zinc/16/55/26/1075165526.db2.gz CSHWQIQRVHMBFI-LJQANCHMSA-N 1 0 413.522 1.984 20 0 HDADRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1nn([C@H](C)c2ccccc2)cc1C ZINC000472432184 1075166278 /nfs/dbraw/zinc/16/62/78/1075166278.db2.gz XEEHVHBVFLODHQ-QGZVFWFLSA-N 1 0 401.511 1.776 20 0 HDADRO COCCN(C[C@H]1CC=CCC1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427390663 1075167946 /nfs/dbraw/zinc/16/79/46/1075167946.db2.gz MPBQCIYUMUMZAE-KRWDZBQOSA-N 1 0 403.527 1.920 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000466681205 1075168982 /nfs/dbraw/zinc/16/89/82/1075168982.db2.gz NJOLDLMVATZKMX-VQIMIIECSA-N 1 0 421.501 1.934 20 0 HDADRO CC(C)(CO)[NH+]1CCN(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CC1 ZINC000675495912 1075178235 /nfs/dbraw/zinc/17/82/35/1075178235.db2.gz VKIMOGUPBACHHZ-UHFFFAOYSA-N 1 0 417.489 1.006 20 0 HDADRO CC(C)[NH+]1CCC(O)(CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000675500158 1075180424 /nfs/dbraw/zinc/18/04/24/1075180424.db2.gz QHXNGUJSYLIDPT-UHFFFAOYSA-N 1 0 414.955 1.998 20 0 HDADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCN(c4cc[nH+]cc4)CC3)CC2)C1 ZINC000675500126 1075180482 /nfs/dbraw/zinc/18/04/82/1075180482.db2.gz ZPEDESLXCOYBCG-IBGZPJMESA-N 1 0 413.566 1.701 20 0 HDADRO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC000560602140 1075181956 /nfs/dbraw/zinc/18/19/56/1075181956.db2.gz XATJGBHEOPROED-UHFFFAOYSA-N 1 0 401.555 1.314 20 0 HDADRO O=C(NCc1ccc(C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001034821168 1075186207 /nfs/dbraw/zinc/18/62/07/1075186207.db2.gz WLJCLHQQJWOQCR-NADOGSGZSA-N 1 0 404.532 1.251 20 0 HDADRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC(S(C)(=O)=O)CC3)CC2)cc1 ZINC000675504418 1075186258 /nfs/dbraw/zinc/18/62/58/1075186258.db2.gz GNOSGNAKBMSKMR-UHFFFAOYSA-N 1 0 407.580 1.538 20 0 HDADRO O=C(Nc1ccn(CCN2CCOCC2)n1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000522829788 1075186521 /nfs/dbraw/zinc/18/65/21/1075186521.db2.gz YJHXZFYWMDLCRB-UHFFFAOYSA-N 1 0 412.538 1.955 20 0 HDADRO CCN(C(=O)C(=O)Nc1ccn([C@H](C)COC)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446847164 1075188189 /nfs/dbraw/zinc/18/81/89/1075188189.db2.gz JGJWAHSAAGFYHU-MJGOQNOKSA-N 1 0 413.522 2.152 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)CNC(=O)c2cnc3ccccc3c2O)c2ccccc2O1 ZINC000675511766 1075191095 /nfs/dbraw/zinc/19/10/95/1075191095.db2.gz VOOVVCAZRDGWBS-HNNXBMFYSA-N 1 0 420.469 1.614 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccnc2)c2ccccc2O1 ZINC000675511677 1075191143 /nfs/dbraw/zinc/19/11/43/1075191143.db2.gz REVGENJXVCGTJL-OAHLLOKOSA-N 1 0 404.492 1.106 20 0 HDADRO O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000469040145 1075192987 /nfs/dbraw/zinc/19/29/87/1075192987.db2.gz MUWSQCXPNBSEEA-LJQANCHMSA-N 1 0 410.522 1.936 20 0 HDADRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000675533906 1075193093 /nfs/dbraw/zinc/19/30/93/1075193093.db2.gz DHDAUAAUEDXMCY-HOTGVXAUSA-N 1 0 410.584 1.770 20 0 HDADRO O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000533003347 1075193878 /nfs/dbraw/zinc/19/38/78/1075193878.db2.gz WXRBLTYPEUMVPX-ICSRJNTNSA-N 1 0 422.533 1.935 20 0 HDADRO Cc1c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)nnn1-c1ccc2c(c1)OCCO2 ZINC000675536800 1075194104 /nfs/dbraw/zinc/19/41/04/1075194104.db2.gz IZRQZRFYJFUBRW-KRWDZBQOSA-N 1 0 413.478 1.330 20 0 HDADRO Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675536774 1075194586 /nfs/dbraw/zinc/19/45/86/1075194586.db2.gz HPUSDRRYZDKIMB-KRWDZBQOSA-N 1 0 424.567 1.183 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000675538496 1075195582 /nfs/dbraw/zinc/19/55/82/1075195582.db2.gz HQCQLPRPVKMLSV-SFHVURJKSA-N 1 0 409.552 1.700 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000675538988 1075195875 /nfs/dbraw/zinc/19/58/75/1075195875.db2.gz QDGBNHWEKSGVTE-QUCCMNQESA-N 1 0 421.563 1.599 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000675538983 1075195972 /nfs/dbraw/zinc/19/59/72/1075195972.db2.gz QDGBNHWEKSGVTE-AZUAARDMSA-N 1 0 421.563 1.599 20 0 HDADRO CCCCS(=O)(=O)N1CCC(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000675540596 1075197304 /nfs/dbraw/zinc/19/73/04/1075197304.db2.gz CFBWCRCZEPRYRH-GOSISDBHSA-N 1 0 401.573 1.198 20 0 HDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000466685142 1075201358 /nfs/dbraw/zinc/20/13/58/1075201358.db2.gz WBEOGFZTYONOPX-YJBOKZPZSA-N 1 0 415.515 1.808 20 0 HDADRO CCN(CC)S(=O)(=O)c1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000469704298 1075208381 /nfs/dbraw/zinc/20/83/81/1075208381.db2.gz WNLLNHFMSUFOQA-UHFFFAOYSA-N 1 0 408.528 2.119 20 0 HDADRO Cc1c(C(=O)N[C@@H](C)CCS(C)(=O)=O)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000675572962 1075208866 /nfs/dbraw/zinc/20/88/66/1075208866.db2.gz FCGDAQFOHBKYTM-ZDUSSCGKSA-N 1 0 405.524 1.117 20 0 HDADRO CN(C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675576857 1075210370 /nfs/dbraw/zinc/21/03/70/1075210370.db2.gz TUFVSCLZOFCBMS-SPEDKVCISA-N 1 0 413.522 1.623 20 0 HDADRO O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000675580958 1075212027 /nfs/dbraw/zinc/21/20/27/1075212027.db2.gz UMXDOABOFNFVAY-FQEVSTJZSA-N 1 0 406.571 1.921 20 0 HDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000675580540 1075212299 /nfs/dbraw/zinc/21/22/99/1075212299.db2.gz KMQVAOKHNFIJPZ-SFHLNBCPSA-N 1 0 419.614 1.978 20 0 HDADRO CCN1C(=O)N=NC1C1CC[NH+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000675583856 1075213460 /nfs/dbraw/zinc/21/34/60/1075213460.db2.gz UGDFGWROTRGJTQ-UHFFFAOYSA-N 1 0 423.539 1.512 20 0 HDADRO CCc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)[NH+](C)C)cc1 ZINC000675584846 1075213961 /nfs/dbraw/zinc/21/39/61/1075213961.db2.gz KXGAKKGCSKJLEE-UXHICEINSA-N 1 0 413.522 1.982 20 0 HDADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000675585732 1075215496 /nfs/dbraw/zinc/21/54/96/1075215496.db2.gz CIDQTFYFTIEXNU-UHFFFAOYSA-N 1 0 410.522 1.560 20 0 HDADRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000475844961 1075216209 /nfs/dbraw/zinc/21/62/09/1075216209.db2.gz NOEWNEOHWFCOJV-SFHVURJKSA-N 1 0 413.526 1.742 20 0 HDADRO COC(=O)c1cc(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)ccn1 ZINC000429363091 1075217788 /nfs/dbraw/zinc/21/77/88/1075217788.db2.gz IKKGHPLUJZMUEI-SFHVURJKSA-N 1 0 410.474 1.496 20 0 HDADRO Cc1ccc(C(=O)NCCC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(O)c1 ZINC000675605278 1075221635 /nfs/dbraw/zinc/22/16/35/1075221635.db2.gz LDTALJFHGRWIFO-SFHVURJKSA-N 1 0 402.539 1.447 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cn1 ZINC000675607424 1075223342 /nfs/dbraw/zinc/22/33/42/1075223342.db2.gz DDUPJKXIDPYATP-UHFFFAOYSA-N 1 0 409.450 1.949 20 0 HDADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000426964879 1075223776 /nfs/dbraw/zinc/22/37/76/1075223776.db2.gz NDYKSUBHPLNGRT-WWDZGPRUSA-N 1 0 405.543 2.188 20 0 HDADRO Cc1cc(Oc2ncccn2)ccc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000675608209 1075224530 /nfs/dbraw/zinc/22/45/30/1075224530.db2.gz WCCVLQYZFRMYLT-UHFFFAOYSA-N 1 0 409.450 1.913 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cn1 ZINC000675608793 1075225756 /nfs/dbraw/zinc/22/57/56/1075225756.db2.gz WPZJCFVDBKAPJN-UHFFFAOYSA-N 1 0 415.885 1.920 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cn1 ZINC000675609018 1075225768 /nfs/dbraw/zinc/22/57/68/1075225768.db2.gz ZNFDCAORZROYPV-SFHVURJKSA-N 1 0 401.467 1.580 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000490443542 1075228899 /nfs/dbraw/zinc/22/88/99/1075228899.db2.gz KAUXYUYTAFRIMQ-GFCCVEGCSA-N 1 0 410.400 1.825 20 0 HDADRO O=C(Nc1ncn(C2CCCCC2)n1)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000463965600 1075231033 /nfs/dbraw/zinc/23/10/33/1075231033.db2.gz RJSOKQYWGWSMJB-SFHVURJKSA-N 1 0 412.494 1.927 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3OCC(F)F)CC2)C1 ZINC000675594283 1075231828 /nfs/dbraw/zinc/23/18/28/1075231828.db2.gz SDTBIJNDEKAGBU-HNNXBMFYSA-N 1 0 410.465 1.507 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccc(C(=O)OC)nn3)cc2)CC1 ZINC000619633029 1075232395 /nfs/dbraw/zinc/23/23/95/1075232395.db2.gz ZFQSKORQNQVSEU-UHFFFAOYSA-N 1 0 412.494 1.722 20 0 HDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 ZINC000490382980 1075233283 /nfs/dbraw/zinc/23/32/83/1075233283.db2.gz XLFJAXMBPVGVJR-HNNXBMFYSA-N 1 0 418.929 1.606 20 0 HDADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cc(C)n(C4CCCCC4)n3)C2)CC1 ZINC000589401416 1075233601 /nfs/dbraw/zinc/23/36/01/1075233601.db2.gz RNYQNIJPMHLPJE-LJQANCHMSA-N 1 0 416.570 1.874 20 0 HDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3cc(C)n(C4CCCCC4)n3)C2)CC1 ZINC000589401414 1075234355 /nfs/dbraw/zinc/23/43/55/1075234355.db2.gz RNYQNIJPMHLPJE-IBGZPJMESA-N 1 0 416.570 1.874 20 0 HDADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000675597513 1075234421 /nfs/dbraw/zinc/23/44/21/1075234421.db2.gz LOQMYGONENDWRT-UHFFFAOYSA-N 1 0 411.506 1.505 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 ZINC000675597516 1075234438 /nfs/dbraw/zinc/23/44/38/1075234438.db2.gz AQAGFAAVHZWXQS-SFHVURJKSA-N 1 0 407.515 1.006 20 0 HDADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C(=O)Nc2noc(C)c2C)CC1 ZINC000550882372 1075234665 /nfs/dbraw/zinc/23/46/65/1075234665.db2.gz ADSHFVQYZWOGPC-AWEZNQCLSA-N 1 0 417.485 2.388 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C[N@@H+]1Cc1ccccc1 ZINC000675598593 1075236813 /nfs/dbraw/zinc/23/68/13/1075236813.db2.gz ZXJMDBUGSJIKDB-POAQFYNOSA-N 1 0 411.506 1.780 20 0 HDADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000426928065 1075243104 /nfs/dbraw/zinc/24/31/04/1075243104.db2.gz XHTMINNNVQCRBI-PKOBYXMFSA-N 1 0 413.522 2.152 20 0 HDADRO CS(=O)(=O)c1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC001034996855 1075252554 /nfs/dbraw/zinc/25/25/54/1075252554.db2.gz MGZYZIWYTRQUKQ-AZQPHWPRSA-N 1 0 404.532 1.594 20 0 HDADRO COCc1cc(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)ccc1F ZINC000426930713 1075254273 /nfs/dbraw/zinc/25/42/73/1075254273.db2.gz DEWSGYLNOPWXDC-UHFFFAOYSA-N 1 0 403.458 1.690 20 0 HDADRO Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000675697313 1075255444 /nfs/dbraw/zinc/25/54/44/1075255444.db2.gz DWDRBTMIIYNVDQ-UHFFFAOYSA-N 1 0 404.559 1.549 20 0 HDADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000675699207 1075260058 /nfs/dbraw/zinc/26/00/58/1075260058.db2.gz RKUPZHHAQRBPAZ-WMLDXEAASA-N 1 0 422.551 1.302 20 0 HDADRO CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 ZINC001005767995 1075261969 /nfs/dbraw/zinc/26/19/69/1075261969.db2.gz UWCGCJFPXXMKKN-SJQORLFUSA-N 1 0 404.555 1.270 20 0 HDADRO Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000429374361 1075262619 /nfs/dbraw/zinc/26/26/19/1075262619.db2.gz VGGUGVFRUFIHFC-AWEZNQCLSA-N 1 0 401.490 1.855 20 0 HDADRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)c1NS(C)(=O)=O ZINC000675757808 1075265155 /nfs/dbraw/zinc/26/51/55/1075265155.db2.gz SCCJMSQVATXLLI-CZUORRHYSA-N 1 0 415.581 1.744 20 0 HDADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)cc1 ZINC000675745497 1075267408 /nfs/dbraw/zinc/26/74/08/1075267408.db2.gz PPSPKQJGOWSGKI-OAHLLOKOSA-N 1 0 405.586 1.649 20 0 HDADRO COCCNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)cc1 ZINC000675784307 1075270997 /nfs/dbraw/zinc/27/09/97/1075270997.db2.gz XSJVVJIZLOHRPU-HNNXBMFYSA-N 1 0 416.507 1.438 20 0 HDADRO O=C(CCCOc1ccc2c(c1)OCO2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675799754 1075272601 /nfs/dbraw/zinc/27/26/01/1075272601.db2.gz KHCZJVTURXDIKJ-KRWDZBQOSA-N 1 0 405.495 1.097 20 0 HDADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccnc1-n1cncn1 ZINC000429380789 1075274118 /nfs/dbraw/zinc/27/41/18/1075274118.db2.gz GHOZSLWDGUSAET-OAQYLSRUSA-N 1 0 407.478 1.763 20 0 HDADRO COc1cncc(C[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000675813592 1075275492 /nfs/dbraw/zinc/27/54/92/1075275492.db2.gz XXKNCBPGSILHTF-UHFFFAOYSA-N 1 0 404.492 1.588 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N1CCC(COc2ccc(Cl)nc2)CC1)C1CC1 ZINC000804221200 1075275687 /nfs/dbraw/zinc/27/56/87/1075275687.db2.gz JCHVQWAOUNAEAD-UHFFFAOYSA-N 1 0 408.930 1.953 20 0 HDADRO C[C@H](CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C[NH+]1CCN(C)CC1 ZINC000429381809 1075275806 /nfs/dbraw/zinc/27/58/06/1075275806.db2.gz BICJXCCFMJLYMO-QAPCUYQASA-N 1 0 407.946 1.628 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000466697457 1075277060 /nfs/dbraw/zinc/27/70/60/1075277060.db2.gz QXBCMYXUZOVTTI-RHSMWYFYSA-N 1 0 416.503 1.052 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000466697458 1075277233 /nfs/dbraw/zinc/27/72/33/1075277233.db2.gz QXBCMYXUZOVTTI-WMLDXEAASA-N 1 0 416.503 1.052 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[N@@H+]1Cc1ccccc1 ZINC000466701866 1075282166 /nfs/dbraw/zinc/28/21/66/1075282166.db2.gz GZHOKAOGWSLYGU-WMLDXEAASA-N 1 0 408.458 1.735 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)C[N@@H+]1Cc1ccccc1 ZINC000466705818 1075284529 /nfs/dbraw/zinc/28/45/29/1075284529.db2.gz PAVHOCBFIXNIMD-APWZRJJASA-N 1 0 421.501 1.934 20 0 HDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN(c3cccs3)CC2)cc1 ZINC000466705204 1075285546 /nfs/dbraw/zinc/28/55/46/1075285546.db2.gz NEXUPCGSWIHLRO-UHFFFAOYSA-N 1 0 402.520 1.976 20 0 HDADRO Cc1ccc(Cc2nnc(NC(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)s2)cc1 ZINC000594937793 1075286539 /nfs/dbraw/zinc/28/65/39/1075286539.db2.gz WISAATZZGBECLF-MRXNPFEDSA-N 1 0 416.551 2.146 20 0 HDADRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1 ZINC000675884483 1075288802 /nfs/dbraw/zinc/28/88/02/1075288802.db2.gz ZQGYRRGCVOXRMO-FQEVSTJZSA-N 1 0 419.570 1.943 20 0 HDADRO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000675886292 1075289524 /nfs/dbraw/zinc/28/95/24/1075289524.db2.gz QPUYUEPWHNZQIJ-IBGZPJMESA-N 1 0 420.985 1.941 20 0 HDADRO COc1cc(OC)c(OC)cc1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675916078 1075291182 /nfs/dbraw/zinc/29/11/82/1075291182.db2.gz APUWFUPVZDMZIQ-UHFFFAOYSA-N 1 0 400.435 1.395 20 0 HDADRO Cc1sc2ncn(CC(=O)OCC(=O)NC3CC[NH+](C4CC4)CC3)c(=O)c2c1C ZINC000923315672 1075310262 /nfs/dbraw/zinc/31/02/62/1075310262.db2.gz XODVNFURZYMBEM-UHFFFAOYSA-N 1 0 418.519 1.361 20 0 HDADRO CCS(=O)(=O)c1ccc2oc(CN3CCN([C@H]4CCC[N@H+](C)C4)CC3)nc2c1 ZINC000675965529 1075310292 /nfs/dbraw/zinc/31/02/92/1075310292.db2.gz XSDYTSQPJJAVOQ-INIZCTEOSA-N 1 0 406.552 1.833 20 0 HDADRO CCS(=O)(=O)c1ccc2oc(CN3CCN([C@@H]4CCC[N@H+](C)C4)CC3)nc2c1 ZINC000675965556 1075310606 /nfs/dbraw/zinc/31/06/06/1075310606.db2.gz XSDYTSQPJJAVOQ-MRXNPFEDSA-N 1 0 406.552 1.833 20 0 HDADRO Cc1cc(C)c(NC(=O)CCC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C)c1 ZINC000675965066 1075310803 /nfs/dbraw/zinc/31/08/03/1075310803.db2.gz LXIHDQCQLFNHJC-OALUTQOASA-N 1 0 423.579 1.418 20 0 HDADRO Cn1c(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)nc2cc(Cl)ccc21 ZINC000675965291 1075310901 /nfs/dbraw/zinc/31/09/01/1075310901.db2.gz QCXTWHHCYWYQGA-HNNXBMFYSA-N 1 0 403.914 1.930 20 0 HDADRO Nc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)nc2ccccc12 ZINC000675994327 1075319731 /nfs/dbraw/zinc/31/97/31/1075319731.db2.gz AJWYXERMQYCLCH-QGZVFWFLSA-N 1 0 409.538 1.524 20 0 HDADRO COc1ccc2c(c1)OCC[C@H]2NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000675996754 1075320195 /nfs/dbraw/zinc/32/01/95/1075320195.db2.gz VBBZWBAMXMGPHV-QZTJIDSGSA-N 1 0 402.495 1.467 20 0 HDADRO COc1cc(C[NH2+]C[C@]2(O)CCCc3ccccc32)cc(OC)c1OCC(N)=O ZINC000731361023 1075320934 /nfs/dbraw/zinc/32/09/34/1075320934.db2.gz WGSGILHSDDZHRI-JOCHJYFZSA-N 1 0 400.475 1.882 20 0 HDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000731401003 1075330115 /nfs/dbraw/zinc/33/01/15/1075330115.db2.gz 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CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)Nc1cc(C(C)C)on1 ZINC000441668428 1075363819 /nfs/dbraw/zinc/36/38/19/1075363819.db2.gz QMDZRBWWNUWSDV-UHFFFAOYSA-N 1 0 415.494 2.526 20 0 HDADRO CCOC(=O)N1CCN(C(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)CC1 ZINC000731456888 1075364219 /nfs/dbraw/zinc/36/42/19/1075364219.db2.gz BAAUMYOLCMXYKS-UHFFFAOYSA-N 1 0 412.494 1.478 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1cn(-c2ccccc2)nn1 ZINC000676099814 1075364181 /nfs/dbraw/zinc/36/41/81/1075364181.db2.gz LSYGVBGXELPRJK-AWEZNQCLSA-N 1 0 402.418 1.664 20 0 HDADRO NC(=O)C[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(Cl)c1 ZINC000676099954 1075364199 /nfs/dbraw/zinc/36/41/99/1075364199.db2.gz YHINTXWWKFYVRT-MRXNPFEDSA-N 1 0 412.837 1.592 20 0 HDADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)cn2)C[C@H](C)O1 ZINC000676099641 1075364633 /nfs/dbraw/zinc/36/46/33/1075364633.db2.gz KAKXCMMAAKJBAR-GASCZTMLSA-N 1 0 415.498 1.031 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)cn1 ZINC000676099394 1075365358 /nfs/dbraw/zinc/36/53/58/1075365358.db2.gz HSGWJWMYKCPCLV-UHFFFAOYSA-N 1 0 400.483 1.550 20 0 HDADRO C[C@@H]1CN(c2ccccc2NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000676099344 1075365423 /nfs/dbraw/zinc/36/54/23/1075365423.db2.gz FYFGVIMKZRZQMK-HZPDHXFCSA-N 1 0 414.510 1.636 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000731496527 1075368620 /nfs/dbraw/zinc/36/86/20/1075368620.db2.gz FUWKWZQPQXAFLO-UHFFFAOYSA-N 1 0 415.538 1.555 20 0 HDADRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(F)cc1 ZINC000676088609 1075370893 /nfs/dbraw/zinc/37/08/93/1075370893.db2.gz CAFUZHFQPOGFLV-SFHVURJKSA-N 1 0 419.420 1.984 20 0 HDADRO CCc1ccc(N2C[C@@H](C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)CC2=O)cc1 ZINC000731478447 1075371094 /nfs/dbraw/zinc/37/10/94/1075371094.db2.gz DWXMVIQEBZTLJJ-SFHVURJKSA-N 1 0 414.550 1.661 20 0 HDADRO Cc1nnnn1/C(=C\c1ccccc1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 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DNXJZLYKMPKJIQ-UHFFFAOYSA-N 1 0 424.527 1.738 20 0 HDADRO CCN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090927 1075373839 /nfs/dbraw/zinc/37/38/39/1075373839.db2.gz NEJQIADOXYOKKM-KRWDZBQOSA-N 1 0 407.430 1.894 20 0 HDADRO O=C(NCc1ccnc(OCC(F)(F)F)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090671 1075374555 /nfs/dbraw/zinc/37/45/55/1075374555.db2.gz YFFFVRQQCAKXAI-UHFFFAOYSA-N 1 0 420.351 1.858 20 0 HDADRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090130 1075375154 /nfs/dbraw/zinc/37/51/54/1075375154.db2.gz QRIDZEZJSOTNOS-HXUWFJFHSA-N 1 0 420.473 1.223 20 0 HDADRO Cc1cc(C)c(NC(=O)CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)c1 ZINC000676090388 1075375247 /nfs/dbraw/zinc/37/52/47/1075375247.db2.gz SSSNQQJMMAXTDQ-UHFFFAOYSA-N 1 0 400.483 1.063 20 0 HDADRO O=C(CCC1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676091751 1075376008 /nfs/dbraw/zinc/37/60/08/1075376008.db2.gz KIINDSBFCFJHEY-UHFFFAOYSA-N 1 0 424.505 1.847 20 0 HDADRO 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CCn1nc(C(F)(F)F)c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1C(F)F ZINC000676155182 1075405602 /nfs/dbraw/zinc/40/56/02/1075405602.db2.gz LMONDHQSLBFQSQ-UHFFFAOYSA-N 1 0 411.375 1.705 20 0 HDADRO C[C@@H]1NC(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)=NN(c2ccccc2)C1=O ZINC000731600407 1075406196 /nfs/dbraw/zinc/40/61/96/1075406196.db2.gz LPIOHEWMNVHKNR-INIZCTEOSA-N 1 0 406.490 1.715 20 0 HDADRO C[C@@H]1CN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000429399320 1075407413 /nfs/dbraw/zinc/40/74/13/1075407413.db2.gz BPGSFKKTHVZHQE-QGZVFWFLSA-N 1 0 404.580 1.839 20 0 HDADRO C[NH+]1CCN(c2ccccc2C(=O)N2CCCc3c(OCC(N)=O)cccc32)CC1 ZINC001129192918 1075413582 /nfs/dbraw/zinc/41/35/82/1075413582.db2.gz HFWMFCJNGUSPSZ-UHFFFAOYSA-N 1 0 408.502 1.896 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000676168078 1075416716 /nfs/dbraw/zinc/41/67/16/1075416716.db2.gz MRDUCCOLXOLJGL-OALUTQOASA-N 1 0 416.570 1.881 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000438776905 1075418697 /nfs/dbraw/zinc/41/86/97/1075418697.db2.gz WNMUKEJNVIWYEL-CQSZACIVSA-N 1 0 402.474 1.842 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000509390779 1075437013 /nfs/dbraw/zinc/43/70/13/1075437013.db2.gz BIPKLBFAZCJUFL-INIZCTEOSA-N 1 0 406.527 1.960 20 0 HDADRO O=C(CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429406387 1075439312 /nfs/dbraw/zinc/43/93/12/1075439312.db2.gz OTBSDJCSPDDBIO-CQSZACIVSA-N 1 0 400.483 1.859 20 0 HDADRO CC[C@@H](C)n1nc(NC(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1C ZINC000553673822 1075439762 /nfs/dbraw/zinc/43/97/62/1075439762.db2.gz CNSINJAJENMYSP-MRXNPFEDSA-N 1 0 405.543 2.062 20 0 HDADRO CC[C@@H](C)n1nc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)cc1C ZINC000485056416 1075440593 /nfs/dbraw/zinc/44/05/93/1075440593.db2.gz KRVXTXMAYBKFCM-CQSZACIVSA-N 1 0 400.483 1.853 20 0 HDADRO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000447417204 1075441812 /nfs/dbraw/zinc/44/18/12/1075441812.db2.gz KVDJICKXYYBRFJ-AWEZNQCLSA-N 1 0 414.510 2.556 20 0 HDADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000448479547 1075446300 /nfs/dbraw/zinc/44/63/00/1075446300.db2.gz UCAGLEFTUNKPJK-QGZVFWFLSA-N 1 0 415.494 1.764 20 0 HDADRO CCN(C(=O)[C@H](C)N1CCC(OCC[NH+](CC)CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000466720881 1075447823 /nfs/dbraw/zinc/44/78/23/1075447823.db2.gz SDCIVFVKDSLBNL-ROUUACIJSA-N 1 0 417.616 1.233 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000731685759 1075448848 /nfs/dbraw/zinc/44/88/48/1075448848.db2.gz HGGBFJHCQIOGNI-UHFFFAOYSA-N 1 0 402.948 1.543 20 0 HDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000731687448 1075449349 /nfs/dbraw/zinc/44/93/49/1075449349.db2.gz OYHIXGOIAPMBBH-GOSISDBHSA-N 1 0 402.539 1.582 20 0 HDADRO CC(C)[C@H](CNC(=O)CCC(=O)N1CCOc2ccccc21)[NH+]1CCN(C)CC1 ZINC000731687876 1075451004 /nfs/dbraw/zinc/45/10/04/1075451004.db2.gz UHQMZOOZKKCHCR-IBGZPJMESA-N 1 0 402.539 1.580 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H]2C(=O)OCc2ccccc2)C1 ZINC000731669591 1075455510 /nfs/dbraw/zinc/45/55/10/1075455510.db2.gz SMRGIGWRISQBKM-LEWJYISDSA-N 1 0 417.550 1.667 20 0 HDADRO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCc1ccccc1F ZINC000731671815 1075456876 /nfs/dbraw/zinc/45/68/76/1075456876.db2.gz UXISNYCOTZHGBS-OAHLLOKOSA-N 1 0 407.511 1.695 20 0 HDADRO CN(C)C(=O)CN1CCC(NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000731679594 1075461795 /nfs/dbraw/zinc/46/17/95/1075461795.db2.gz HQVLIOPCPBEBID-UHFFFAOYSA-N 1 0 402.543 1.113 20 0 HDADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000731718437 1075472301 /nfs/dbraw/zinc/47/23/01/1075472301.db2.gz OLEFELKKDTVPLU-UHFFFAOYSA-N 1 0 408.506 1.811 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1=O ZINC000731689655 1075472708 /nfs/dbraw/zinc/47/27/08/1075472708.db2.gz OCJYPYWCMZJEFW-FGTMMUONSA-N 1 0 422.570 1.787 20 0 HDADRO COc1cccc(C[C@@H](C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)n2nnnc2C)c1 ZINC000489989244 1075473315 /nfs/dbraw/zinc/47/33/15/1075473315.db2.gz FGRJZGCGDOCLOQ-IBGZPJMESA-N 1 0 424.509 1.876 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1CN(C)CCO1 ZINC000676278301 1075478626 /nfs/dbraw/zinc/47/86/26/1075478626.db2.gz HNHKKVIRLLAEDK-YLJYHZDGSA-N 1 0 418.538 1.325 20 0 HDADRO Cc1nc(C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)nn1-c1ccccc1 ZINC000731742969 1075490853 /nfs/dbraw/zinc/49/08/53/1075490853.db2.gz OJDUDZWPQDQLTL-SFHVURJKSA-N 1 0 415.494 1.206 20 0 HDADRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000466726886 1075497038 /nfs/dbraw/zinc/49/70/38/1075497038.db2.gz AADVHESWFGZWDV-UHFFFAOYSA-N 1 0 404.536 1.833 20 0 HDADRO C[C@H](NC(=O)N[C@@H](C)[C@H]1CN(C)CCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000676293664 1075497656 /nfs/dbraw/zinc/49/76/56/1075497656.db2.gz YUIZDERQYUQKJT-TWOQFEAHSA-N 1 0 407.534 1.657 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000676296991 1075499610 /nfs/dbraw/zinc/49/96/10/1075499610.db2.gz IPRXDHFTJVKAIZ-ICSRJNTNSA-N 1 0 401.555 1.312 20 0 HDADRO C[C@@H]1CCC[C@@](CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC000731757053 1075512864 /nfs/dbraw/zinc/51/28/64/1075512864.db2.gz SMMXCTGIPKCRCO-VQIMIIECSA-N 1 0 402.605 1.305 20 0 HDADRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1c(Br)nnn1C ZINC000711781062 1075516195 /nfs/dbraw/zinc/51/61/95/1075516195.db2.gz WUMZSSLMUVUYOK-KRWDZBQOSA-N 1 0 408.300 1.287 20 0 HDADRO COc1ccc([C@@H]2[C@H](C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC(=O)N2C)cc1 ZINC000676344173 1075516743 /nfs/dbraw/zinc/51/67/43/1075516743.db2.gz IJSIJZMGMBWNMV-YFVAEKQCSA-N 1 0 401.507 1.584 20 0 HDADRO COc1nn(C)c2nc(C)c(CCC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)c(C)c12 ZINC000676344220 1075516846 /nfs/dbraw/zinc/51/68/46/1075516846.db2.gz JLNRRBZIRKZCAR-KRWDZBQOSA-N 1 0 415.538 1.896 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000676343713 1075517468 /nfs/dbraw/zinc/51/74/68/1075517468.db2.gz WBICTRNLIFNXAI-ROUUACIJSA-N 1 0 415.490 1.180 20 0 HDADRO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676345107 1075517836 /nfs/dbraw/zinc/51/78/36/1075517836.db2.gz WJADZYXAGGCXNR-RXVVDRJESA-N 1 0 416.497 1.724 20 0 HDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676344464 1075518410 /nfs/dbraw/zinc/51/84/10/1075518410.db2.gz MZQRJKQZBMDWAH-GFCCVEGCSA-N 1 0 407.945 1.049 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000731765424 1075518499 /nfs/dbraw/zinc/51/84/99/1075518499.db2.gz MQOBUUJYEJUVMW-IBGZPJMESA-N 1 0 421.501 1.299 20 0 HDADRO COc1cc(OC)cc(N2C[C@@H](C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC2=O)c1 ZINC000676344570 1075518616 /nfs/dbraw/zinc/51/86/16/1075518616.db2.gz PJANQMHOTFCZKW-RDJZCZTQSA-N 1 0 417.506 1.426 20 0 HDADRO Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)cc12 ZINC000676345627 1075519483 /nfs/dbraw/zinc/51/94/83/1075519483.db2.gz VPLYNSWUKBUSSV-UKRRQHHQSA-N 1 0 419.551 1.431 20 0 HDADRO Cc1nc(NC(=O)C(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)nn1C ZINC000556154663 1075519859 /nfs/dbraw/zinc/51/98/59/1075519859.db2.gz DHMWUZVOTUUCRF-UHFFFAOYSA-N 1 0 420.517 2.223 20 0 HDADRO Cc1nc(NC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)nn1C ZINC000559612391 1075520979 /nfs/dbraw/zinc/52/09/79/1075520979.db2.gz FMQXEYNFCSWBIC-UHFFFAOYSA-N 1 0 404.902 1.744 20 0 HDADRO CN1C(=O)c2ccc(S(=O)(=O)Nc3ccccc3N3CC[NH+](C)CC3)cc2C1=O ZINC000731782538 1075523040 /nfs/dbraw/zinc/52/30/40/1075523040.db2.gz VRUWOEUATIPRBE-UHFFFAOYSA-N 1 0 414.487 1.465 20 0 HDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)Nc3cnn(CC4CC4)c3)CC2)CC1 ZINC000676361973 1075524085 /nfs/dbraw/zinc/52/40/85/1075524085.db2.gz OJUPZPNAINHHPE-UHFFFAOYSA-N 1 0 402.543 1.249 20 0 HDADRO CN(CCNC(=O)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000804137462 1075529127 /nfs/dbraw/zinc/52/91/27/1075529127.db2.gz CFVXZWGZRQUPBB-IBGZPJMESA-N 1 0 414.472 1.625 20 0 HDADRO COc1nnc(NC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)s1 ZINC000558812615 1075531170 /nfs/dbraw/zinc/53/11/70/1075531170.db2.gz UFYOTRJZKFZEBO-HNNXBMFYSA-N 1 0 417.539 2.008 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000676357512 1075531397 /nfs/dbraw/zinc/53/13/97/1075531397.db2.gz FPIPJNMYWSKRFL-SJORKVTESA-N 1 0 412.490 1.177 20 0 HDADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000676370831 1075536086 /nfs/dbraw/zinc/53/60/86/1075536086.db2.gz GPOUXMORUSLJPP-HXUWFJFHSA-N 1 0 416.522 1.251 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000676393104 1075541113 /nfs/dbraw/zinc/54/11/13/1075541113.db2.gz LOVBUYQGUKAVOY-QRQLOZEOSA-N 1 0 421.538 1.338 20 0 HDADRO CS(=O)(=O)c1ccc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)nc1 ZINC000582863067 1075544545 /nfs/dbraw/zinc/54/45/45/1075544545.db2.gz PGXNGZGPRSZTJM-UHFFFAOYSA-N 1 0 402.564 2.495 20 0 HDADRO Cc1nn(-c2ccccc2)cc1CCCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000448480361 1075546516 /nfs/dbraw/zinc/54/65/16/1075546516.db2.gz ZOTGSXYAYJPWQY-UHFFFAOYSA-N 1 0 423.521 1.626 20 0 HDADRO C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(C2CC[NH+](CC3CC3)CC2)C1=O ZINC000804145284 1075546698 /nfs/dbraw/zinc/54/66/98/1075546698.db2.gz DIUQQARTBMFDRF-HXUWFJFHSA-N 1 0 405.520 1.732 20 0 HDADRO COC(=O)/C=C1/SCC(=O)N1CCCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000731842897 1075548148 /nfs/dbraw/zinc/54/81/48/1075548148.db2.gz JULWOZBGRFPUOV-WFVLPUPGSA-N 1 0 410.584 1.068 20 0 HDADRO C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000509412621 1075548982 /nfs/dbraw/zinc/54/89/82/1075548982.db2.gz AOJDEQHYVAPEBY-GOSISDBHSA-N 1 0 416.566 1.971 20 0 HDADRO Cc1cc(S(=O)(=O)NCCNC(=O)N[C@H](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000676421151 1075549725 /nfs/dbraw/zinc/54/97/25/1075549725.db2.gz 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C[C@@H]1C[C@H](NC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@@H+]1C ZINC000550834576 1075723084 /nfs/dbraw/zinc/72/30/84/1075723084.db2.gz BRLUHUKJGBJEFM-TZMCWYRMSA-N 1 0 401.433 1.618 20 0 HDADRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1=O ZINC000498854917 1075724024 /nfs/dbraw/zinc/72/40/24/1075724024.db2.gz MYHNZDAGAHBCET-ZDUSSCGKSA-N 1 0 420.311 1.983 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N(Cc2ccccc2)CC2(O)CCCC2)n1 ZINC000441826242 1075728145 /nfs/dbraw/zinc/72/81/45/1075728145.db2.gz SXLCMZKRPPKSPO-UHFFFAOYSA-N 1 0 413.522 1.717 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)n1 ZINC000446816225 1075728425 /nfs/dbraw/zinc/72/84/25/1075728425.db2.gz AOBDORBGXDSAOD-UHFFFAOYSA-N 1 0 401.898 2.353 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1 ZINC000532598215 1075729857 /nfs/dbraw/zinc/72/98/57/1075729857.db2.gz CWMVHFBYVGCBMU-INIZCTEOSA-N 1 0 423.876 1.776 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC(c2cccs2)c2cccs2)n1 ZINC000446787922 1075731042 /nfs/dbraw/zinc/73/10/42/1075731042.db2.gz ZLMLJEHNTFCIOM-UHFFFAOYSA-N 1 0 403.533 2.412 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NCc2ccc(F)cc2Br)n1 ZINC000427433839 1075731748 /nfs/dbraw/zinc/73/17/48/1075731748.db2.gz GQMCFHMGZVHTFY-UHFFFAOYSA-N 1 0 412.263 1.601 20 0 HDADRO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000509442904 1075734330 /nfs/dbraw/zinc/73/43/30/1075734330.db2.gz VHPVKIQHQCBIJG-WOJBJXKFSA-N 1 0 415.582 1.114 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)n1 ZINC000557634160 1075734882 /nfs/dbraw/zinc/73/48/82/1075734882.db2.gz USLIJYIJGIGTPA-UHFFFAOYSA-N 1 0 414.491 2.040 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)n1 ZINC000483904664 1075739468 /nfs/dbraw/zinc/73/94/68/1075739468.db2.gz FSSVIPCTTUILOV-UHFFFAOYSA-N 1 0 420.477 1.946 20 0 HDADRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCCNc2ccc(C)cn2)c1 ZINC000605444846 1075748405 /nfs/dbraw/zinc/74/84/05/1075748405.db2.gz SBRKNYQMRICDDG-UHFFFAOYSA-N 1 0 418.519 1.879 20 0 HDADRO CN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732465996 1075753540 /nfs/dbraw/zinc/75/35/40/1075753540.db2.gz PBUWFUADNUUERO-DAYGRLMNSA-N 1 0 406.914 1.950 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000732474981 1075756700 /nfs/dbraw/zinc/75/67/00/1075756700.db2.gz NYFWCGVWSVCPBG-HOCLYGCPSA-N 1 0 408.852 1.635 20 0 HDADRO C[C@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)[N@H+](C)Cc1ccccc1 ZINC000520340388 1075758021 /nfs/dbraw/zinc/75/80/21/1075758021.db2.gz DQIKSMKZMUJVIU-GOSISDBHSA-N 1 0 417.579 1.950 20 0 HDADRO Ic1cnc(NCCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000390961161 1075768119 /nfs/dbraw/zinc/76/81/19/1075768119.db2.gz MQEQOKUXLZTVGB-UHFFFAOYSA-N 1 0 423.302 2.311 20 0 HDADRO CC(C)(C)c1cc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)no1 ZINC000437024079 1075770647 /nfs/dbraw/zinc/77/06/47/1075770647.db2.gz YXFBDPDRCVTICU-UHFFFAOYSA-N 1 0 400.479 2.506 20 0 HDADRO 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/nfs/dbraw/zinc/78/52/98/1075785298.db2.gz MCRGWSCYYLKQNQ-KRWDZBQOSA-N 1 0 424.567 1.305 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)n2)CC1 ZINC000489994554 1075786884 /nfs/dbraw/zinc/78/68/84/1075786884.db2.gz FDCWCSMDQXQXNT-UHFFFAOYSA-N 1 0 403.508 1.724 20 0 HDADRO CC(=O)[C@@H]1CC(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)=NN1c1ccccc1 ZINC000732563645 1075789933 /nfs/dbraw/zinc/78/99/33/1075789933.db2.gz LYPHQMCVZQHUFI-UNMCSNQZSA-N 1 0 411.550 1.837 20 0 HDADRO CN1CCN(S(=O)(=O)c2ccc(NC[C@H]3CCC[N@@H+]3C3CCCCC3)nc2)CC1 ZINC000435591543 1075792646 /nfs/dbraw/zinc/79/26/46/1075792646.db2.gz CRGYOZBPMZNCGO-LJQANCHMSA-N 1 0 421.611 2.227 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNC(=O)NCCNc2ccc3ccccc3n2)CC1 ZINC000549803340 1075793743 /nfs/dbraw/zinc/79/37/43/1075793743.db2.gz OZQZCAIFIHQUJE-UHFFFAOYSA-N 1 0 419.533 2.293 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNc2ncc(I)cn2)CC1 ZINC000546622027 1075793992 /nfs/dbraw/zinc/79/39/92/1075793992.db2.gz IVHATJKBDXDXLA-UHFFFAOYSA-N 1 0 410.263 1.840 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LIHPTJGERDEOGJ-FIQGOXITSA-N 1 0 409.530 1.616 20 0 HDADRO Cc1nc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2c2ccccc2)n1 ZINC001081148596 1076002912 /nfs/dbraw/zinc/00/29/12/1076002912.db2.gz RRHWXPIEQBRYKS-UUGMPZBJSA-N 1 0 421.545 1.903 20 0 HDADRO Cc1c(C(=O)NCCS(=O)(=O)C(C)(C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000733179882 1076009610 /nfs/dbraw/zinc/00/96/10/1076009610.db2.gz VFBLJTOQOSYXQH-UHFFFAOYSA-N 1 0 419.551 1.507 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCCC3CC[NH+](C)CC3)C2)no1 ZINC000514015012 1076015233 /nfs/dbraw/zinc/01/52/33/1076015233.db2.gz FVBSNJITKVOSCC-KRWDZBQOSA-N 1 0 406.531 1.496 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)C2)no1 ZINC000514018782 1076015710 /nfs/dbraw/zinc/01/57/10/1076015710.db2.gz XBKYVERKZOOUGC-USXIJHARSA-N 1 0 406.531 1.493 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)no1 ZINC000514019448 1076015952 /nfs/dbraw/zinc/01/59/52/1076015952.db2.gz DTFRRXNACDSEKL-WBVHZDCISA-N 1 0 404.515 1.249 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)C2)no1 ZINC000514025273 1076016260 /nfs/dbraw/zinc/01/62/60/1076016260.db2.gz UYVFWTYSCBHPDV-JLJPHGGASA-N 1 0 404.515 1.390 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)C2)no1 ZINC000514025272 1076016374 /nfs/dbraw/zinc/01/63/74/1076016374.db2.gz UYVFWTYSCBHPDV-FRFSOERESA-N 1 0 404.515 1.390 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)no1 ZINC000514031842 1076017332 /nfs/dbraw/zinc/01/73/32/1076017332.db2.gz YOYCPFOKGBUOKG-IXDOHACOSA-N 1 0 406.531 1.637 20 0 HDADRO Cc1cccc(CCNC(=O)C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000515007498 1076023523 /nfs/dbraw/zinc/02/35/23/1076023523.db2.gz LTYRESIUTIQYNJ-UHFFFAOYSA-N 1 0 412.456 1.970 20 0 HDADRO NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000733275395 1076027699 /nfs/dbraw/zinc/02/76/99/1076027699.db2.gz LGVKTZDFBUFVPO-SFHVURJKSA-N 1 0 402.495 1.244 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000727040225 1076032027 /nfs/dbraw/zinc/03/20/27/1076032027.db2.gz QSDCMPSRAJLPPU-UHFFFAOYSA-N 1 0 409.355 1.938 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000727040350 1076032121 /nfs/dbraw/zinc/03/21/21/1076032121.db2.gz VNSWSASTWBQCKW-UHFFFAOYSA-N 1 0 404.511 1.079 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=S)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000727072861 1076034013 /nfs/dbraw/zinc/03/40/13/1076034013.db2.gz RBNXCIFTZMWMSY-HXUWFJFHSA-N 1 0 405.568 1.897 20 0 HDADRO C[C@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)NCc1ccccc1Cl ZINC000733306235 1076034570 /nfs/dbraw/zinc/03/45/70/1076034570.db2.gz JRBIHKXKMQTVDN-LBPRGKRZSA-N 1 0 419.913 1.841 20 0 HDADRO Cc1ccc(NC(=O)[C@@H](C)ONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)c(F)c1 ZINC000733306410 1076034646 /nfs/dbraw/zinc/03/46/46/1076034646.db2.gz JWOGCIBWPOUUAG-GFCCVEGCSA-N 1 0 403.458 1.957 20 0 HDADRO CCC[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)CC1CC1 ZINC000052890979 1076034849 /nfs/dbraw/zinc/03/48/49/1076034849.db2.gz NNNBFWPCOSXWSG-HXUWFJFHSA-N 1 0 401.507 1.619 20 0 HDADRO C[C@@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)NCc1ccc(Cl)cc1 ZINC000733308257 1076034903 /nfs/dbraw/zinc/03/49/03/1076034903.db2.gz ZPZVRZYJWUJKKN-GFCCVEGCSA-N 1 0 419.913 1.841 20 0 HDADRO CC[C@@H](CO)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C ZINC000727058167 1076035156 /nfs/dbraw/zinc/03/51/56/1076035156.db2.gz NHGUKRROASGBEE-HNNXBMFYSA-N 1 0 412.556 1.226 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000727088300 1076041530 /nfs/dbraw/zinc/04/15/30/1076041530.db2.gz DYZOEXJQILMZEA-OAHLLOKOSA-N 1 0 414.597 1.724 20 0 HDADRO CCNS(=O)(=O)c1ccc(F)c(C(=O)NC2CC[NH+](CCCOC)CC2)c1 ZINC000727105610 1076051780 /nfs/dbraw/zinc/05/17/80/1076051780.db2.gz HKHNAJHDUGLMMD-UHFFFAOYSA-N 1 0 401.504 1.355 20 0 HDADRO Cn1cnc2c1c(=O)n(CCC[N@H+](C)Cc1cnn(-c3ccccc3)c1)c(=O)n2C ZINC000053139385 1076054702 /nfs/dbraw/zinc/05/47/02/1076054702.db2.gz KTDYFFFUXXRDRT-UHFFFAOYSA-N 1 0 407.478 1.142 20 0 HDADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000053547781 1076058329 /nfs/dbraw/zinc/05/83/29/1076058329.db2.gz WCOOWWVJANKFNI-IBGZPJMESA-N 1 0 415.538 1.202 20 0 HDADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000053547784 1076058548 /nfs/dbraw/zinc/05/85/48/1076058548.db2.gz WCOOWWVJANKFNI-LJQANCHMSA-N 1 0 415.538 1.202 20 0 HDADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC001082652334 1076061601 /nfs/dbraw/zinc/06/16/01/1076061601.db2.gz SWRRSMGUDZZHNT-YDRFAZDDSA-N 1 0 400.504 1.116 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000727175294 1076070115 /nfs/dbraw/zinc/07/01/15/1076070115.db2.gz RNTONNIHNQLYFD-CQSZACIVSA-N 1 0 417.959 1.821 20 0 HDADRO Cc1ccc[n+](C(C(=O)c2ccccc2C)C(=S)NCCNS(C)(=O)=O)c1 ZINC000727161423 1076072207 /nfs/dbraw/zinc/07/22/07/1076072207.db2.gz NGEPNCGEQYASAF-UHFFFAOYSA-O 1 0 406.553 1.941 20 0 HDADRO CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000727224906 1076084133 /nfs/dbraw/zinc/08/41/33/1076084133.db2.gz TXGNFALUIHGTAA-SFHVURJKSA-N 1 0 409.575 1.809 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000727228971 1076085172 /nfs/dbraw/zinc/08/51/72/1076085172.db2.gz LDHZFRDZWGXNQF-HNNXBMFYSA-N 1 0 407.540 1.193 20 0 HDADRO C[C@H](OC(=O)CN(C)C(=O)C1CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000733513785 1076087959 /nfs/dbraw/zinc/08/79/59/1076087959.db2.gz JMGWUSNSIPWVAJ-INIZCTEOSA-N 1 0 401.507 1.567 20 0 HDADRO Cc1nn(CC(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(C)c1Cl ZINC000733518269 1076093358 /nfs/dbraw/zinc/09/33/58/1076093358.db2.gz GPJVBFQAMQIDMM-HNNXBMFYSA-N 1 0 400.907 1.170 20 0 HDADRO O=C(COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000733530357 1076095300 /nfs/dbraw/zinc/09/53/00/1076095300.db2.gz 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CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)c1 ZINC000727768142 1076221638 /nfs/dbraw/zinc/22/16/38/1076221638.db2.gz UGQGHSMSNFFNRQ-IBGZPJMESA-N 1 0 402.520 1.875 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CCOCC1 ZINC000733853511 1076228389 /nfs/dbraw/zinc/22/83/89/1076228389.db2.gz QZRKMOJXXDGWRR-UHFFFAOYSA-N 1 0 410.465 1.731 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CCOCC1 ZINC000733853175 1076228736 /nfs/dbraw/zinc/22/87/36/1076228736.db2.gz OCBCOSUXHYFUPQ-UHFFFAOYSA-N 1 0 412.490 1.062 20 0 HDADRO COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1 ZINC000531910602 1076237776 /nfs/dbraw/zinc/23/77/76/1076237776.db2.gz ZDDMWLSOVNVNOL-UHFFFAOYSA-N 1 0 406.430 1.660 20 0 HDADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000733882372 1076238115 /nfs/dbraw/zinc/23/81/15/1076238115.db2.gz IVPDWXQLQXZNIU-UHFFFAOYSA-N 1 0 403.495 1.830 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)C2)no1 ZINC000532835155 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COCCNC(=O)c1c(NC(=O)CN2CC[C@H](C[NH+](C)C)C2)sc2c1CCCC2 ZINC000733995997 1076287577 /nfs/dbraw/zinc/28/75/77/1076287577.db2.gz ITCPADFWENLNLC-OAHLLOKOSA-N 1 0 422.595 1.825 20 0 HDADRO CCOC(=O)N[C@H]1CCCN(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000727946451 1076293171 /nfs/dbraw/zinc/29/31/71/1076293171.db2.gz ZZIZNZMFQOGJIW-VQTJNVASSA-N 1 0 417.554 1.895 20 0 HDADRO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)[NH+]1CCCCC1 ZINC000727947319 1076293382 /nfs/dbraw/zinc/29/33/82/1076293382.db2.gz MJHZJXMJWDBIGA-AWEZNQCLSA-N 1 0 412.490 1.622 20 0 HDADRO O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000728052649 1076320154 /nfs/dbraw/zinc/32/01/54/1076320154.db2.gz ABZKGSPDQBVQOW-LJQANCHMSA-N 1 0 407.555 1.713 20 0 HDADRO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000728055376 1076322500 /nfs/dbraw/zinc/32/25/00/1076322500.db2.gz RNDIBMKKVKFINA-OAHLLOKOSA-N 1 0 422.551 1.891 20 0 HDADRO COCC(C)(C)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000728115433 1076337506 /nfs/dbraw/zinc/33/75/06/1076337506.db2.gz NEQBIHQGNOJNEY-UHFFFAOYSA-N 1 0 410.540 1.891 20 0 HDADRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728140703 1076341618 /nfs/dbraw/zinc/34/16/18/1076341618.db2.gz DPFUYBJCLKZWND-HZPDHXFCSA-N 1 0 406.502 1.837 20 0 HDADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000728141071 1076341916 /nfs/dbraw/zinc/34/19/16/1076341916.db2.gz MQMRLKYWZOOVAH-UHFFFAOYSA-N 1 0 406.490 1.935 20 0 HDADRO CCN(CCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000804255607 1076345322 /nfs/dbraw/zinc/34/53/22/1076345322.db2.gz DXLLHJVGYNWTPJ-QGZVFWFLSA-N 1 0 410.559 1.550 20 0 HDADRO CC[C@@H](CNC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)[N@@H+]1CCc2ccccc2C1 ZINC000728151760 1076347981 /nfs/dbraw/zinc/34/79/81/1076347981.db2.gz DTEJOEKANPANOE-PXNSSMCTSA-N 1 0 414.531 1.670 20 0 HDADRO CC[C@@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[N@@H+]1CCc2ccccc2C1 ZINC000728151759 1076348111 /nfs/dbraw/zinc/34/81/11/1076348111.db2.gz DTEJOEKANPANOE-FXAWDEMLSA-N 1 0 414.531 1.670 20 0 HDADRO COc1ccc(COC[C@H](O)C[NH+]2CCN(Cc3ccccn3)CC2)cc1OC ZINC000025762785 1076354361 /nfs/dbraw/zinc/35/43/61/1076354361.db2.gz ZSKFIAFTKZAYNG-HXUWFJFHSA-N 1 0 401.507 1.794 20 0 HDADRO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000728173559 1076364373 /nfs/dbraw/zinc/36/43/73/1076364373.db2.gz WNWOGBTYWXSYLF-LJQANCHMSA-N 1 0 424.567 1.256 20 0 HDADRO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000728173556 1076364478 /nfs/dbraw/zinc/36/44/78/1076364478.db2.gz WNWOGBTYWXSYLF-IBGZPJMESA-N 1 0 424.567 1.256 20 0 HDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2F)C1 ZINC000729980041 1076405163 /nfs/dbraw/zinc/40/51/63/1076405163.db2.gz KMPDMXFZNIMRNY-OAHLLOKOSA-N 1 0 415.531 1.695 20 0 HDADRO COc1ccc(Cl)cc1CC(=O)OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000730032176 1076413096 /nfs/dbraw/zinc/41/30/96/1076413096.db2.gz MUDJWVAPOQFDQA-QGZVFWFLSA-N 1 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C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000730114406 1076461896 /nfs/dbraw/zinc/46/18/96/1076461896.db2.gz LXJJWJIDHLMPKY-KRWDZBQOSA-N 1 0 418.542 1.642 20 0 HDADRO O=C(Nc1ccccc1)NC1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000730125436 1076465415 /nfs/dbraw/zinc/46/54/15/1076465415.db2.gz HUFJXEYXFUSHGL-MOPGFXCFSA-N 1 0 401.511 1.845 20 0 HDADRO C[NH+](C)CCNC(=S)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O ZINC000730153524 1076470556 /nfs/dbraw/zinc/47/05/56/1076470556.db2.gz ZQYZLMYBQHUIFQ-UHFFFAOYSA-N 1 0 417.579 1.967 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)N/C=C1\c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000730203969 1076482497 /nfs/dbraw/zinc/48/24/97/1076482497.db2.gz ZVIIEKQIHPQKKP-AWZALFRUSA-N 1 0 405.502 1.835 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000730228431 1076486355 /nfs/dbraw/zinc/48/63/55/1076486355.db2.gz UHHURFAACPRCIT-QUCCMNQESA-N 1 0 402.539 1.930 20 0 HDADRO C[C@H](NC(=O)OC(C)(C)C)C1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000730259670 1076501740 /nfs/dbraw/zinc/50/17/40/1076501740.db2.gz UJKDFFVEJJPRTM-HNNXBMFYSA-N 1 0 423.558 1.585 20 0 HDADRO CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000730263468 1076505141 /nfs/dbraw/zinc/50/51/41/1076505141.db2.gz UZOCSIKDLYWGFT-SFHVURJKSA-N 1 0 424.586 1.737 20 0 HDADRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000730263441 1076505286 /nfs/dbraw/zinc/50/52/86/1076505286.db2.gz UDWSVLABYISFSM-AWEZNQCLSA-N 1 0 412.512 1.262 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)/C=C/c1ccccc1Br ZINC000730269015 1076508681 /nfs/dbraw/zinc/50/86/81/1076508681.db2.gz LNYLLOYOVALBGE-WEKMIXOTSA-N 1 0 402.358 1.975 20 0 HDADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000730277666 1076519866 /nfs/dbraw/zinc/51/98/66/1076519866.db2.gz UZJCIYYLMHWCIW-INIZCTEOSA-N 1 0 401.511 1.134 20 0 HDADRO 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Cn1nnc2c1CCN(c1nc(Cl)c(F)cc1N)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718164 720191434 /nfs/dbraw/zinc/19/14/34/720191434.db2.gz YARNTLCQBFZSHY-OAHLLOKOSA-N 1 0 409.897 1.801 20 0 HDADRO COc1nnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c2ccccc21 ZINC001164717740 720196259 /nfs/dbraw/zinc/19/62/59/720196259.db2.gz WQIXTPKIDKTUGC-IBGZPJMESA-N 1 0 423.521 1.983 20 0 HDADRO CCNC(=O)c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164713727 720196412 /nfs/dbraw/zinc/19/64/12/720196412.db2.gz CQSWUAMJSLCLEL-GOSISDBHSA-N 1 0 413.526 1.176 20 0 HDADRO Cn1nnc2c1CCN(c1cc(-c3nnco3)ccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718123 720199805 /nfs/dbraw/zinc/19/98/05/720199805.db2.gz XDPIBIOLFDSFKT-KRWDZBQOSA-N 1 0 410.482 1.476 20 0 HDADRO Cn1nnc2c1CCN(c1ccc(-c3ccccn3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715565 720199906 /nfs/dbraw/zinc/19/99/06/720199906.db2.gz KYWHUQKHUWUXBO-HXUWFJFHSA-N 1 0 420.521 1.883 20 0 HDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3nc[nH]c3c(N(C)C)n1)CCC2 ZINC001164814068 720227564 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721275416 /nfs/dbraw/zinc/27/54/16/721275416.db2.gz YGMRMVKSHYCOCD-UHFFFAOYSA-N 1 0 410.950 1.203 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4cc(Cl)cnc43)CC2)C1 ZINC001164872764 721277527 /nfs/dbraw/zinc/27/75/27/721277527.db2.gz FRXPKZSFIZUHFH-UHFFFAOYSA-N 1 0 418.929 1.685 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(C(F)(F)c3nccnc3Cl)CC2)C1 ZINC001164874428 721281825 /nfs/dbraw/zinc/28/18/25/721281825.db2.gz ROHOMFDYZINKKG-UHFFFAOYSA-N 1 0 417.888 1.682 20 0 HDADRO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc4c(nn3)CC[NH2+]C4)C2)C1 ZINC001164780103 721358873 /nfs/dbraw/zinc/35/88/73/721358873.db2.gz DHISHJPUKLYMRI-JOCHJYFZSA-N 1 0 412.538 1.846 20 0 HDADRO COC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164892283 721383498 /nfs/dbraw/zinc/38/34/98/721383498.db2.gz SRGQUSBVNVDCKC-YWZLYKJASA-N 1 0 423.945 1.682 20 0 HDADRO CCOC(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nn1 ZINC001164887792 721391962 /nfs/dbraw/zinc/39/19/62/721391962.db2.gz 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C[NH+]1CCN(c2ccc(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@H]43)nn2)CC1 ZINC001164962707 722027936 /nfs/dbraw/zinc/02/79/36/722027936.db2.gz RJZLBHFCULFEEA-HLIPFELVSA-N 1 0 414.485 1.578 20 0 HDADRO Cn1cc(C(=O)NC[C@H]2OC[C@H]3CN(c4ccc(C[N@H+](C)C5CC5)cn4)CC[C@H]32)cn1 ZINC001164958370 722032142 /nfs/dbraw/zinc/03/21/42/722032142.db2.gz OQUXEUZJXUNYJE-HMXCVIKNSA-N 1 0 424.549 1.681 20 0 HDADRO CN(C)c1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc2nc[nH]c21 ZINC001164964191 722057482 /nfs/dbraw/zinc/05/74/82/722057482.db2.gz SXERKKWMEZTLBA-UHFFFAOYSA-N 1 0 422.537 1.933 20 0 HDADRO O=C(NC1CC1)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164961494 722061137 /nfs/dbraw/zinc/06/11/37/722061137.db2.gz KUMMFNWOFXUJFI-UHFFFAOYSA-N 1 0 422.533 1.883 20 0 HDADRO CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]21 ZINC001164977714 722096806 /nfs/dbraw/zinc/09/68/06/722096806.db2.gz HUBZWZUDXXTXNC-WOIUINJBSA-N 1 0 421.549 1.774 20 0 HDADRO 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C[C@@H]1CN(c2ccc(NC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cn2)C[C@H](C)O1 ZINC000429108062 1073595999 /nfs/dbraw/zinc/59/59/99/1073595999.db2.gz SXJFQTOCSVYJHR-KSZLIROESA-N 1 0 403.527 1.881 20 0 HDADRO CN1C(=O)C[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000509119417 1073597194 /nfs/dbraw/zinc/59/71/94/1073597194.db2.gz CHMQWGPIKNHNKE-BQFCYCMXSA-N 1 0 421.929 1.251 20 0 HDADRO CCC1(CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000509122537 1073605366 /nfs/dbraw/zinc/60/53/66/1073605366.db2.gz DICKJXUEVLUCNL-LJQANCHMSA-N 1 0 423.579 1.792 20 0 HDADRO CN(C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673668947 1073623158 /nfs/dbraw/zinc/62/31/58/1073623158.db2.gz CVKUEKAJXBTYLR-WIYYLYMNSA-N 1 0 419.614 1.978 20 0 HDADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1 ZINC000673703216 1073644877 /nfs/dbraw/zinc/64/48/77/1073644877.db2.gz ZCIVOKREGXOKBD-QGZVFWFLSA-N 1 0 400.589 1.612 20 0 HDADRO C[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000673713170 1073652618 /nfs/dbraw/zinc/65/26/18/1073652618.db2.gz JYDWAOUBULSNRD-ICSRJNTNSA-N 1 0 405.506 1.741 20 0 HDADRO C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N[C@@H](CCCO)c3ccccc3)CC2)CCO1 ZINC000509130697 1073671890 /nfs/dbraw/zinc/67/18/90/1073671890.db2.gz ZYZDIHADJLTYBQ-XLIONFOSSA-N 1 0 403.523 1.328 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000673748962 1073672370 /nfs/dbraw/zinc/67/23/70/1073672370.db2.gz JCGQUSMTUFABNN-KRWDZBQOSA-N 1 0 401.532 2.000 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000673748963 1073672522 /nfs/dbraw/zinc/67/25/22/1073672522.db2.gz JCGQUSMTUFABNN-QGZVFWFLSA-N 1 0 401.532 2.000 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCNS(=O)(=O)c1cccnc1 ZINC000673749646 1073684344 /nfs/dbraw/zinc/68/43/44/1073684344.db2.gz DWFCNCAVUUHJQZ-SFHVURJKSA-N 1 0 416.547 1.873 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000673757099 1073692451 /nfs/dbraw/zinc/69/24/51/1073692451.db2.gz IQLCIKDFIXTRNC-KRWDZBQOSA-N 1 0 416.547 1.869 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2cnn(Cc3ccccn3)c2)c1 ZINC000673762631 1073701135 /nfs/dbraw/zinc/70/11/35/1073701135.db2.gz ZWGBXKSSQQGCBJ-UHFFFAOYSA-N 1 0 421.505 1.940 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)C1 ZINC000673775740 1073733052 /nfs/dbraw/zinc/73/30/52/1073733052.db2.gz MVFPNOPLEFDJJJ-OAHLLOKOSA-N 1 0 416.519 1.115 20 0 HDADRO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1OCCc2sccc21 ZINC000429136574 1073744795 /nfs/dbraw/zinc/74/47/95/1073744795.db2.gz ABFXFUDDFZRYIX-FOIQADDNSA-N 1 0 422.595 1.399 20 0 HDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)[C@@H](C)C1 ZINC000429142870 1073763466 /nfs/dbraw/zinc/76/34/66/1073763466.db2.gz OLENRLSVHNSWFL-QFBILLFUSA-N 1 0 411.568 1.978 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000501230020 1073764927 /nfs/dbraw/zinc/76/49/27/1073764927.db2.gz UIGSPBAVEHDKJD-AWEZNQCLSA-N 1 0 403.570 1.158 20 0 HDADRO CC(C)c1nc(S(=O)(=O)N2CCN(c3ccccc3OCC[NH+](C)C)CC2)c[nH]1 ZINC000673823040 1073768238 /nfs/dbraw/zinc/76/82/38/1073768238.db2.gz SYCSJMRCIAINHS-UHFFFAOYSA-N 1 0 421.567 1.984 20 0 HDADRO CC[NH+]1CCN(CCNC(=O)COc2cccc(I)c2)CC1 ZINC000509152673 1073768352 /nfs/dbraw/zinc/76/83/52/1073768352.db2.gz LCOUXTXMSSOJJH-UHFFFAOYSA-N 1 0 417.291 1.424 20 0 HDADRO C[C@H](CNC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1)N1CC[NH+](C)CC1 ZINC000509154349 1073776214 /nfs/dbraw/zinc/77/62/14/1073776214.db2.gz ONHWKKHLZOGYFN-QGZVFWFLSA-N 1 0 411.550 1.909 20 0 HDADRO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCOc1ccc(F)cc1Cl ZINC000466540139 1073798471 /nfs/dbraw/zinc/79/84/71/1073798471.db2.gz NJHIJQGIOVZFPO-UHFFFAOYSA-N 1 0 415.893 1.497 20 0 HDADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCCN3c3ncccn3)c2)CC1 ZINC000673831869 1073801410 /nfs/dbraw/zinc/80/14/10/1073801410.db2.gz DINXAOLILRLDBB-IBGZPJMESA-N 1 0 408.506 1.781 20 0 HDADRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000673849599 1073815105 /nfs/dbraw/zinc/81/51/05/1073815105.db2.gz DEHBBVKFGASMHG-TZIWHRDSSA-N 1 0 414.550 1.978 20 0 HDADRO O=C(c1nc2ncc(Br)cn2n1)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001168745773 1073815602 /nfs/dbraw/zinc/81/56/02/1073815602.db2.gz ZXFCDQSQXGARTO-AWEZNQCLSA-N 1 0 419.258 1.683 20 0 HDADRO CON(C)S(=O)(=O)c1cccc(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c1 ZINC001168745689 1073815670 /nfs/dbraw/zinc/81/56/70/1073815670.db2.gz YMBGAUATUVWUGA-GOSISDBHSA-N 1 0 421.494 1.664 20 0 HDADRO COCCCS(=O)(=O)NCC[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000673855945 1073824502 /nfs/dbraw/zinc/82/45/02/1073824502.db2.gz GQOQCLNFOUTUQP-LJQANCHMSA-N 1 0 403.589 1.445 20 0 HDADRO O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673859738 1073826516 /nfs/dbraw/zinc/82/65/16/1073826516.db2.gz NOYZQUPXSSXRKF-MSOLQXFVSA-N 1 0 408.524 1.190 20 0 HDADRO CN1CCN(C(=O)c2ccc(CNC(=O)Nc3cnn(-c4cc[nH+]cc4)c3)cc2)CC1 ZINC000673863388 1073830240 /nfs/dbraw/zinc/83/02/40/1073830240.db2.gz ZSKRWMJSCKERPJ-UHFFFAOYSA-N 1 0 419.489 1.977 20 0 HDADRO Cc1cccc([C@H](CNC(=O)Nc2cnn(CC[NH+](C)C)c2)N2CCOCC2)c1 ZINC000673869559 1073834228 /nfs/dbraw/zinc/83/42/28/1073834228.db2.gz ARCQNUWUVRGHTH-FQEVSTJZSA-N 1 0 400.527 1.948 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)cn1 ZINC000673870268 1073835703 /nfs/dbraw/zinc/83/57/03/1073835703.db2.gz XSRVNHWUBIJCOD-UHFFFAOYSA-N 1 0 402.474 1.964 20 0 HDADRO CC1CCC(NC(=O)CN2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)CC1 ZINC000673871044 1073837293 /nfs/dbraw/zinc/83/72/93/1073837293.db2.gz GYNDQPQFJKVTNH-UHFFFAOYSA-N 1 0 419.574 1.289 20 0 HDADRO CC[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000543495940 1073841078 /nfs/dbraw/zinc/84/10/78/1073841078.db2.gz JOAOYDBMXNKEGF-RTBURBONSA-N 1 0 409.552 1.208 20 0 HDADRO COCCNC(=O)Cn1cc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000673875401 1073842462 /nfs/dbraw/zinc/84/24/62/1073842462.db2.gz VAYIUTBMGLHUSW-UHFFFAOYSA-N 1 0 420.558 1.766 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCC(=O)Nc2ccc(Br)cc2)cn1 ZINC000673867445 1073844592 /nfs/dbraw/zinc/84/45/92/1073844592.db2.gz NSBWRDZNYMXFQK-UHFFFAOYSA-N 1 0 409.288 1.967 20 0 HDADRO CN1CCN(C(=O)c2ccc(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)cc2)CC1 ZINC000673868754 1073845785 /nfs/dbraw/zinc/84/57/85/1073845785.db2.gz GYTPAYWDTLIURK-UHFFFAOYSA-N 1 0 413.526 1.154 20 0 HDADRO CC(C)NS(=O)(=O)c1cccc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000673868696 1073846313 /nfs/dbraw/zinc/84/63/13/1073846313.db2.gz FCYVQPWLOJNNQO-UHFFFAOYSA-N 1 0 408.528 1.453 20 0 HDADRO NC(=O)C[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1CCOCC1 ZINC000543498410 1073858152 /nfs/dbraw/zinc/85/81/52/1073858152.db2.gz ZXNRUSXFJFGQBC-GOEBONIOSA-N 1 0 401.301 1.449 20 0 HDADRO Cn1c(=O)c(C(=O)C[NH2+]C(C)(C)c2cccs2)c(N)n(Cc2ccccc2)c1=O ZINC000543502405 1073858653 /nfs/dbraw/zinc/85/86/53/1073858653.db2.gz TWRFRZPWDILOAE-UHFFFAOYSA-N 1 0 412.515 1.947 20 0 HDADRO O=C(C[NH+]1CCCCCC1)Nc1cccc(NC(=O)C(=O)NCC2(CO)CC2)c1 ZINC000673888908 1073862299 /nfs/dbraw/zinc/86/22/99/1073862299.db2.gz KPFBJKFLTPMIKN-UHFFFAOYSA-N 1 0 402.495 1.328 20 0 HDADRO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000673892992 1073865234 /nfs/dbraw/zinc/86/52/34/1073865234.db2.gz ABSGCEZPCAPZDX-HNAYVOBHSA-N 1 0 407.536 1.657 20 0 HDADRO CC(C)(CO)[NH+]1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000673896631 1073866607 /nfs/dbraw/zinc/86/66/07/1073866607.db2.gz YOSKHYIKFKKZAZ-UHFFFAOYSA-N 1 0 403.932 1.071 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3csc(-c4ccco4)n3)CC2)C1 ZINC000673928197 1073897927 /nfs/dbraw/zinc/89/79/27/1073897927.db2.gz FSTXAEIPSONDQJ-MRXNPFEDSA-N 1 0 417.535 1.258 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1=O ZINC000673929904 1073901305 /nfs/dbraw/zinc/90/13/05/1073901305.db2.gz PJCYYKOQWGKRPO-BTYIYWSLSA-N 1 0 411.462 1.658 20 0 HDADRO CC(C)n1cc([C@@H](C)[NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cn1 ZINC000543506305 1073904712 /nfs/dbraw/zinc/90/47/12/1073904712.db2.gz ZNLNPCCZHZHNBJ-ZIAGYGMSSA-N 1 0 405.524 1.740 20 0 HDADRO C[C@H](NC(=O)Cn1nc(-c2ccccc2)oc1=O)C1([NH+]2CCOCC2)CCCC1 ZINC000673940437 1073915004 /nfs/dbraw/zinc/91/50/04/1073915004.db2.gz VTNLKWCQAKCCRB-INIZCTEOSA-N 1 0 400.479 1.653 20 0 HDADRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 ZINC000509173355 1073916245 /nfs/dbraw/zinc/91/62/45/1073916245.db2.gz GHHGIWVHCCEKPP-UHFFFAOYSA-N 1 0 411.421 1.322 20 0 HDADRO COc1ccc([C@H](CNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)[NH+](C)C)cc1OC ZINC000429173874 1073948904 /nfs/dbraw/zinc/94/89/04/1073948904.db2.gz CJBVWYOROIFUMZ-SIXLDLHFSA-N 1 0 404.511 1.615 20 0 HDADRO CO[C@@H](C)c1noc(CN2CCCN(C(=O)NCC3([NH+](C)C)CCCC3)CC2)n1 ZINC000429179632 1073965395 /nfs/dbraw/zinc/96/53/95/1073965395.db2.gz GCRDTLWLUFPAMD-INIZCTEOSA-N 1 0 408.547 1.869 20 0 HDADRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cnn1C ZINC000543518123 1073967995 /nfs/dbraw/zinc/96/79/95/1073967995.db2.gz UZEWKDZIEDVFSX-NSHDSACASA-N 1 0 413.931 1.922 20 0 HDADRO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001005046166 1073983875 /nfs/dbraw/zinc/98/38/75/1073983875.db2.gz HBGKCQANCXQJRD-LUGRNRNJSA-N 1 0 410.474 1.248 20 0 HDADRO COc1ccc(C(=O)NCC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000670444131 1073990665 /nfs/dbraw/zinc/99/06/65/1073990665.db2.gz MFFRCHQPMJNJPK-QGZVFWFLSA-N 1 0 405.495 1.147 20 0 HDADRO C[NH+]1CCN(c2cc(CNC(=O)NCCc3cn4c(n3)SCC4)ccn2)CC1 ZINC000466582374 1074021689 /nfs/dbraw/zinc/02/16/89/1074021689.db2.gz XQYOZMHWXBKKSA-UHFFFAOYSA-N 1 0 401.540 1.178 20 0 HDADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCC2CCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000509193884 1074040197 /nfs/dbraw/zinc/04/01/97/1074040197.db2.gz FSWPHXCUJFYUBU-WMZOPIPTSA-N 1 0 403.589 1.638 20 0 HDADRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)C1 ZINC000543535623 1074040684 /nfs/dbraw/zinc/04/06/84/1074040684.db2.gz YBWKZUPPODCSJT-QGZVFWFLSA-N 1 0 415.538 1.779 20 0 HDADRO CC(C)C[C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)N1C(=O)c2ccccc2C1=O ZINC000674000181 1074041770 /nfs/dbraw/zinc/04/17/70/1074041770.db2.gz ALCQWLCJNGXTMW-HXUWFJFHSA-N 1 0 414.550 1.840 20 0 HDADRO CCOC(=O)[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCO1 ZINC001649123320 1074053875 /nfs/dbraw/zinc/05/38/75/1074053875.db2.gz VHTHEPKEABXXLI-OPYAIIAOSA-N 1 0 406.527 1.415 20 0 HDADRO CNC(=O)N[C@H]1CCN(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000466593033 1074054476 /nfs/dbraw/zinc/05/44/76/1074054476.db2.gz LOVVDYPJKIOKNS-FQEVSTJZSA-N 1 0 416.570 1.297 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN[C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000543545296 1074058695 /nfs/dbraw/zinc/05/86/95/1074058695.db2.gz JWMCNMJYFNZDOR-HKUYNNGSSA-N 1 0 400.527 1.391 20 0 HDADRO CCNC(=O)COc1ccc(NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)cc1 ZINC000509198973 1074060693 /nfs/dbraw/zinc/06/06/93/1074060693.db2.gz WMZMMHBVJUONSN-UHFFFAOYSA-N 1 0 419.526 1.219 20 0 HDADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC(=O)N(C4CC4)C3)cc2)C[C@H](C)O1 ZINC000429198239 1074061174 /nfs/dbraw/zinc/06/11/74/1074061174.db2.gz RBGQUOMXFPKXBU-FCEWJHQRSA-N 1 0 400.523 1.858 20 0 HDADRO CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3nc(N)cc(N)[nH+]3)nc2c1 ZINC000031818971 1074075813 /nfs/dbraw/zinc/07/58/13/1074075813.db2.gz YAHXFJBKUPXTEG-UHFFFAOYSA-N 1 0 407.525 1.840 20 0 HDADRO C[NH+](C)CCOc1ccc(CNC(=O)CNC(=O)NCc2ccc(F)cc2)cc1 ZINC000058921376 1074078426 /nfs/dbraw/zinc/07/84/26/1074078426.db2.gz PUPAPZFCPNHKHT-UHFFFAOYSA-N 1 0 402.470 1.882 20 0 HDADRO CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001626093826 1074080047 /nfs/dbraw/zinc/08/00/47/1074080047.db2.gz WZDQBHMCZACTDA-SJORKVTESA-N 1 0 413.565 1.808 20 0 HDADRO 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COCCCOc1cccc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000674319130 1074279904 /nfs/dbraw/zinc/27/99/04/1074279904.db2.gz QGNORDQPIMAIRN-FQEVSTJZSA-N 1 0 419.522 1.754 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccccc2OC[C@H]2CCCCO2)CC1 ZINC000674320031 1074280410 /nfs/dbraw/zinc/28/04/10/1074280410.db2.gz BIJDFUWJPAIMCX-GOSISDBHSA-N 1 0 419.522 1.800 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CC1 ZINC000674320181 1074280471 /nfs/dbraw/zinc/28/04/71/1074280471.db2.gz DXUPOQHYKCKXOA-QGZVFWFLSA-N 1 0 418.538 1.245 20 0 HDADRO CCOc1cc2c(cc1NC(=O)C(=O)NCC[NH+]1CCC(OC)CC1)O[C@@H](C)C2 ZINC000674321202 1074281774 /nfs/dbraw/zinc/28/17/74/1074281774.db2.gz QWRXUZBIZXDKFA-AWEZNQCLSA-N 1 0 405.495 1.574 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000674321072 1074281831 /nfs/dbraw/zinc/28/18/31/1074281831.db2.gz NXLIRDLYABOOAL-IRXDYDNUSA-N 1 0 418.538 1.466 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000674330899 1074285936 /nfs/dbraw/zinc/28/59/36/1074285936.db2.gz AXGSKTPOJPXCBG-HKUYNNGSSA-N 1 0 423.583 1.173 20 0 HDADRO C[C@@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@@H](C(F)(F)F)O1 ZINC000674333150 1074286655 /nfs/dbraw/zinc/28/66/55/1074286655.db2.gz WHWGALIZRJZRHI-HIFRSBDPSA-N 1 0 422.492 1.974 20 0 HDADRO COC1CC[NH+](CCNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000674333003 1074286698 /nfs/dbraw/zinc/28/66/98/1074286698.db2.gz RQMAHPYOSURXCZ-HOJAQTOUSA-N 1 0 400.523 1.553 20 0 HDADRO COc1ccc(-c2cc(C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)[nH]n2)cc1OC ZINC000674360145 1074291694 /nfs/dbraw/zinc/29/16/94/1074291694.db2.gz KJLFGZGZNDNHEN-KRWDZBQOSA-N 1 0 413.522 1.946 20 0 HDADRO CN(C[C@H](O)CN1CCOCC1)C(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000674392596 1074309393 /nfs/dbraw/zinc/30/93/93/1074309393.db2.gz FZBYLTPWWVRONJ-SFHVURJKSA-N 1 0 400.479 1.708 20 0 HDADRO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)CCN2CCCS2(=O)=O)CC1 ZINC000674417847 1074318853 /nfs/dbraw/zinc/31/88/53/1074318853.db2.gz MLAXNEKYJPOHCQ-UHFFFAOYSA-N 1 0 409.556 1.328 20 0 HDADRO C[C@H](CNC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)[N@@H+]1CCc2ccccc2C1 ZINC000674423606 1074326662 /nfs/dbraw/zinc/32/66/62/1074326662.db2.gz GFHFXTOHZRHYRR-FXCLAUTBSA-N 1 0 413.522 1.453 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1=O ZINC000674423666 1074326744 /nfs/dbraw/zinc/32/67/44/1074326744.db2.gz ADGIDEOCYTYNEX-FGSXEWAUSA-N 1 0 413.522 1.843 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000674427693 1074331096 /nfs/dbraw/zinc/33/10/96/1074331096.db2.gz QWZZPYVPVOOCMM-SPEDKVCISA-N 1 0 413.522 1.671 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1=O ZINC000674434360 1074332580 /nfs/dbraw/zinc/33/25/80/1074332580.db2.gz JJKSAHUHYREIJD-UVFQYZLESA-N 1 0 405.474 1.448 20 0 HDADRO CN(CCN1CCCS1(=O)=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000674432179 1074342550 /nfs/dbraw/zinc/34/25/50/1074342550.db2.gz IIRREBQXBUYREJ-IHWFROFDSA-N 1 0 420.579 1.859 20 0 HDADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cc(-n3ccnn3)ccc2F)CC1 ZINC001128727664 1074344505 /nfs/dbraw/zinc/34/45/05/1074344505.db2.gz RRTUNGITWBDVFU-UHFFFAOYSA-N 1 0 405.474 1.606 20 0 HDADRO COC[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000674500615 1074396120 /nfs/dbraw/zinc/39/61/20/1074396120.db2.gz YEHMWLLORKPLJY-GOSISDBHSA-N 1 0 409.552 1.247 20 0 HDADRO COc1cccc([C@H](CNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)[NH+](C)C)c1 ZINC000141250877 1074418412 /nfs/dbraw/zinc/41/84/12/1074418412.db2.gz BDUWGDLMVFXCJR-IBGZPJMESA-N 1 0 410.474 1.886 20 0 HDADRO C[C@@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674516733 1074419107 /nfs/dbraw/zinc/41/91/07/1074419107.db2.gz VNQKWAKGRJCWGY-IEBWSBKVSA-N 1 0 422.595 1.279 20 0 HDADRO COc1cc(OC)cc(N2C[C@H](C(=O)NCC[NH+]3CCC(OC)CC3)CC2=O)c1 ZINC000674543592 1074425457 /nfs/dbraw/zinc/42/54/57/1074425457.db2.gz AEKOYWHXLALXEQ-OAHLLOKOSA-N 1 0 405.495 1.284 20 0 HDADRO C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1nc(C(F)(F)F)cs1 ZINC000674577077 1074453177 /nfs/dbraw/zinc/45/31/77/1074453177.db2.gz PAODUHHSTNNWOM-VXGBXAGGSA-N 1 0 422.473 1.908 20 0 HDADRO CCC(CC)[C@H](CNC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[NH+]1CCCC1 ZINC000674611568 1074479544 /nfs/dbraw/zinc/47/95/44/1074479544.db2.gz JKZKOSYZJOFBST-WWMYMODYSA-N 1 0 407.559 1.907 20 0 HDADRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)cc1 ZINC000141814409 1074488706 /nfs/dbraw/zinc/48/87/06/1074488706.db2.gz YQNYNBZYEMHKAL-UHFFFAOYSA-N 1 0 410.474 1.715 20 0 HDADRO COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000674632987 1074489217 /nfs/dbraw/zinc/48/92/17/1074489217.db2.gz KODMOZAWLDACNJ-CQSZACIVSA-N 1 0 417.514 1.551 20 0 HDADRO CN(CCN1CCCS1(=O)=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000674633749 1074489265 /nfs/dbraw/zinc/48/92/65/1074489265.db2.gz PJCZWEVCVPJRMZ-DOTOQJQBSA-N 1 0 414.597 1.808 20 0 HDADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1Oc2ccccc2[C@H]1C ZINC000674631747 1074495892 /nfs/dbraw/zinc/49/58/92/1074495892.db2.gz URBSRGNNBHQRLI-IIMDRIAPSA-N 1 0 402.539 1.645 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1=O ZINC000674639360 1074498257 /nfs/dbraw/zinc/49/82/57/1074498257.db2.gz SYYTVIOCBAKPPK-IERDGZPVSA-N 1 0 419.501 1.619 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1=O ZINC000674641267 1074500683 /nfs/dbraw/zinc/50/06/83/1074500683.db2.gz GYKJZMGNLSOYIX-YCRPNKLZSA-N 1 0 417.510 1.606 20 0 HDADRO CC[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C)C(=O)N1CCOCC1 ZINC000674647195 1074503829 /nfs/dbraw/zinc/50/38/29/1074503829.db2.gz HTJJMJMCMXRHAZ-ICSRJNTNSA-N 1 0 402.539 1.930 20 0 HDADRO C[C@@H](C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674657483 1074504746 /nfs/dbraw/zinc/50/47/46/1074504746.db2.gz OSTYFQWVEWCKDT-OAHLLOKOSA-N 1 0 402.520 1.979 20 0 HDADRO COCC(C)(C)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000429238245 1074516048 /nfs/dbraw/zinc/51/60/48/1074516048.db2.gz YOEVMVUZBYIMLZ-UHFFFAOYSA-N 1 0 401.504 1.015 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccc(OCCOC)c(F)c2)CC1 ZINC000509235829 1074528717 /nfs/dbraw/zinc/52/87/17/1074528717.db2.gz MYIWNPYJGVVHHT-UHFFFAOYSA-N 1 0 410.490 1.869 20 0 HDADRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000674706768 1074535557 /nfs/dbraw/zinc/53/55/57/1074535557.db2.gz KLNKDUSPJHLDPX-QGZVFWFLSA-N 1 0 405.543 1.553 20 0 HDADRO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(N2CCOCC2)c1 ZINC000674707715 1074536657 /nfs/dbraw/zinc/53/66/57/1074536657.db2.gz QIYPEDQABLBUDP-TZIWHRDSSA-N 1 0 402.539 1.572 20 0 HDADRO CN(c1ccc(CNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1)S(C)(=O)=O ZINC000670481675 1074536691 /nfs/dbraw/zinc/53/66/91/1074536691.db2.gz GHAQKODQOGHVJL-UHFFFAOYSA-N 1 0 424.567 1.124 20 0 HDADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000674719652 1074538920 /nfs/dbraw/zinc/53/89/20/1074538920.db2.gz BUSSEGXHHXQXMZ-UHFFFAOYSA-N 1 0 420.329 1.742 20 0 HDADRO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000674756422 1074549135 /nfs/dbraw/zinc/54/91/35/1074549135.db2.gz BBIQQDOCLOUWMJ-UHFFFAOYSA-N 1 0 407.492 1.753 20 0 HDADRO C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670482922 1074550305 /nfs/dbraw/zinc/55/03/05/1074550305.db2.gz RQTZIPNCMYGVEL-RXVVDRJESA-N 1 0 400.567 1.751 20 0 HDADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@]2(c3ccccc3)CCC(=O)NC2)CC1 ZINC001128822189 1074557421 /nfs/dbraw/zinc/55/74/21/1074557421.db2.gz GCCNKGATPQXVEM-HSZRJFAPSA-N 1 0 417.550 1.420 20 0 HDADRO C[C@H]1CN(c2ccc(NC(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cc2)CCO1 ZINC000766068445 1074561494 /nfs/dbraw/zinc/56/14/94/1074561494.db2.gz CBMQPLLTSKGBEI-PXNSSMCTSA-N 1 0 415.538 1.682 20 0 HDADRO CN(c1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1)S(C)(=O)=O ZINC000674871301 1074592779 /nfs/dbraw/zinc/59/27/79/1074592779.db2.gz SEJFFNFFCOPOMZ-UHFFFAOYSA-N 1 0 408.524 1.949 20 0 HDADRO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674872206 1074593316 /nfs/dbraw/zinc/59/33/16/1074593316.db2.gz MYWPIVFTHFWLRZ-NHCUHLMSSA-N 1 0 415.582 1.833 20 0 HDADRO COc1ccc(-n2cc(CNC(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)nn2)cc1 ZINC000674874725 1074593916 /nfs/dbraw/zinc/59/39/16/1074593916.db2.gz WZBKPCVZIIXZFY-LJQANCHMSA-N 1 0 413.526 1.197 20 0 HDADRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000674869149 1074596749 /nfs/dbraw/zinc/59/67/49/1074596749.db2.gz BCEONSJMXAYXMK-QGZVFWFLSA-N 1 0 410.522 1.554 20 0 HDADRO C[NH+]1CCC(OCC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC001128861717 1074597099 /nfs/dbraw/zinc/59/70/99/1074597099.db2.gz ZJBJRZPCSKNVSB-UHFFFAOYSA-N 1 0 424.350 1.499 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CC1 ZINC000674891759 1074598113 /nfs/dbraw/zinc/59/81/13/1074598113.db2.gz KSWJFAUPKRLBDJ-UHFFFAOYSA-N 1 0 413.478 1.780 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3)CC2)C1 ZINC000674877386 1074599629 /nfs/dbraw/zinc/59/96/29/1074599629.db2.gz RBDNZWLZIZJHTC-SJORKVTESA-N 1 0 407.509 1.965 20 0 HDADRO COc1cc(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)sc1S(N)(=O)=O ZINC000674877241 1074599647 /nfs/dbraw/zinc/59/96/47/1074599647.db2.gz NLBVRGZWQRJIKZ-UHFFFAOYSA-N 1 0 413.521 1.987 20 0 HDADRO COCCOc1cc(C)ccc1CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000674879356 1074600024 /nfs/dbraw/zinc/60/00/24/1074600024.db2.gz CYGFNNXOMWEPSX-FQEVSTJZSA-N 1 0 404.555 1.942 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 ZINC000674891893 1074603320 /nfs/dbraw/zinc/60/33/20/1074603320.db2.gz PXSOBKYFVFFANQ-UHFFFAOYSA-N 1 0 412.490 1.062 20 0 HDADRO COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000674926556 1074624396 /nfs/dbraw/zinc/62/43/96/1074624396.db2.gz CIPQXSIEUFFWIM-ROUUACIJSA-N 1 0 401.555 1.742 20 0 HDADRO CN(C(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670487735 1074637342 /nfs/dbraw/zinc/63/73/42/1074637342.db2.gz CLPGRRJYTQTMBT-IBGZPJMESA-N 1 0 411.550 1.454 20 0 HDADRO COc1ccc([C@H](CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)[NH+](C)C)cc1OC ZINC000674970936 1074654972 /nfs/dbraw/zinc/65/49/72/1074654972.db2.gz CGESIHXJBBXDLO-ILZDJORESA-N 1 0 407.511 1.896 20 0 HDADRO Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000674981015 1074657665 /nfs/dbraw/zinc/65/76/65/1074657665.db2.gz WRONMHNXRVWMBX-FXAWDEMLSA-N 1 0 412.538 1.803 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000804218891 1074659083 /nfs/dbraw/zinc/65/90/83/1074659083.db2.gz KEJRKOPZKCREGN-QGZVFWFLSA-N 1 0 403.571 1.684 20 0 HDADRO O=C(CCc1ccccc1)N1CC[C@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000674994438 1074669387 /nfs/dbraw/zinc/66/93/87/1074669387.db2.gz QZRYIMZUXJTHEK-ACRUOGEOSA-N 1 0 414.550 1.461 20 0 HDADRO CNc1nnc(CC(=O)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)s1 ZINC000546790594 1074670125 /nfs/dbraw/zinc/67/01/25/1074670125.db2.gz FBJUXPZHPZWOCZ-UHFFFAOYSA-N 1 0 419.551 1.928 20 0 HDADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000446522682 1074675848 /nfs/dbraw/zinc/67/58/48/1074675848.db2.gz LKQXJBQHCFYEFI-UHFFFAOYSA-N 1 0 418.501 2.510 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000675002760 1074682749 /nfs/dbraw/zinc/68/27/49/1074682749.db2.gz OEVILQMEIUUJPY-MOPGFXCFSA-N 1 0 405.495 1.362 20 0 HDADRO CCc1ccc([C@H](CNC(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)[NH+](C)C)cc1 ZINC000675084416 1074700707 /nfs/dbraw/zinc/70/07/07/1074700707.db2.gz WNJGCTNAOMEMIZ-ZWKOTPCHSA-N 1 0 401.511 1.530 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCc3ccccc3C[NH+](CC)CC)CCN2C1=O ZINC000675085065 1074701584 /nfs/dbraw/zinc/70/15/84/1074701584.db2.gz GCZOTBINTCFIKA-GOSISDBHSA-N 1 0 401.511 1.706 20 0 HDADRO COc1ccc(CN(C)C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)c(OC)c1 ZINC000675086183 1074702088 /nfs/dbraw/zinc/70/20/88/1074702088.db2.gz OZJMTJKIDLZKFM-UHFFFAOYSA-N 1 0 421.538 1.668 20 0 HDADRO COc1cccc2c1CCN(C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)CC2 ZINC000675086153 1074702300 /nfs/dbraw/zinc/70/23/00/1074702300.db2.gz KPDHIXRDPHMUFG-UHFFFAOYSA-N 1 0 417.550 1.628 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](Cc3ccccc3)[NH+](CC)CC)CCN2C1=O ZINC000675087800 1074702495 /nfs/dbraw/zinc/70/24/95/1074702495.db2.gz JMLTWIJDCYBNOY-OALUTQOASA-N 1 0 415.538 1.617 20 0 HDADRO COC(=O)CCCc1nnc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)s1 ZINC000488472971 1074703901 /nfs/dbraw/zinc/70/39/01/1074703901.db2.gz VSSHPJGKAFLAIR-CYBMUJFWSA-N 1 0 411.528 1.751 20 0 HDADRO COC(=O)CCCc1nnc(NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)s1 ZINC000432136736 1074704249 /nfs/dbraw/zinc/70/42/49/1074704249.db2.gz QUIPTVDYIGZNFU-UHFFFAOYSA-N 1 0 420.495 1.792 20 0 HDADRO CCC(CC)[C@@H](CNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)[NH+](C)C ZINC000543614340 1074713123 /nfs/dbraw/zinc/71/31/23/1074713123.db2.gz AMBVGVWAULCVKR-LJQANCHMSA-N 1 0 404.559 1.957 20 0 HDADRO COc1cccc2c1OCC[C@@H]2NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000675090492 1074713259 /nfs/dbraw/zinc/71/32/59/1074713259.db2.gz PZKZIJUKKOQTAJ-SFHVURJKSA-N 1 0 419.522 1.641 20 0 HDADRO CC(C)n1ccc(NC(=O)C(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000507785409 1074714611 /nfs/dbraw/zinc/71/46/11/1074714611.db2.gz VXNUSFOWTPWUPM-HXUWFJFHSA-N 1 0 424.549 1.821 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)nn1[C@@H](C)C1CC1 ZINC000544158717 1074715107 /nfs/dbraw/zinc/71/51/07/1074715107.db2.gz KFDRBRNDGQQXPB-INIZCTEOSA-N 1 0 403.527 1.672 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)nn1[C@H](C)C1CC1 ZINC000544203231 1074715629 /nfs/dbraw/zinc/71/56/29/1074715629.db2.gz HYKBCKKOHLYBET-IEBWSBKVSA-N 1 0 416.570 1.730 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NCC3([NH+]4CCC(OC)CC4)CCCC3)CCN2C1=O ZINC000675100188 1074717728 /nfs/dbraw/zinc/71/77/28/1074717728.db2.gz ZVBXJMPLDUMNLJ-KRWDZBQOSA-N 1 0 421.542 1.088 20 0 HDADRO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000444512681 1074717730 /nfs/dbraw/zinc/71/77/30/1074717730.db2.gz VMLCMKUPPAJZEX-UHFFFAOYSA-N 1 0 411.478 2.177 20 0 HDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101829 1074718221 /nfs/dbraw/zinc/71/82/21/1074718221.db2.gz APXAGMSDHTZARH-HZPDHXFCSA-N 1 0 406.962 1.781 20 0 HDADRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000540109056 1074718224 /nfs/dbraw/zinc/71/82/24/1074718224.db2.gz ZRMXMNHGQXHUGV-UHFFFAOYSA-N 1 0 410.400 1.812 20 0 HDADRO COC(=O)CCc1nnc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000467695552 1074719647 /nfs/dbraw/zinc/71/96/47/1074719647.db2.gz FPEMEAIDNUVUNO-UHFFFAOYSA-N 1 0 411.528 1.752 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)CCN2C1=O ZINC000675103409 1074720306 /nfs/dbraw/zinc/72/03/06/1074720306.db2.gz RJQAKUMNJKSPRR-LPHOPBHVSA-N 1 0 413.522 1.890 20 0 HDADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)Nc1nnc(C2CC2)s1 ZINC000560693503 1074722420 /nfs/dbraw/zinc/72/24/20/1074722420.db2.gz KTSIMUVEZPEGTN-UHFFFAOYSA-N 1 0 402.528 1.929 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nn1[C@H](C)C1CC1 ZINC000542347138 1074724155 /nfs/dbraw/zinc/72/41/55/1074724155.db2.gz HTYLMDZNGIVDQN-IEBWSBKVSA-N 1 0 416.570 1.728 20 0 HDADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccn(CCN2CCOCC2)n1 ZINC000438318834 1074726085 /nfs/dbraw/zinc/72/60/85/1074726085.db2.gz DXWVXJOGVNIISL-UHFFFAOYSA-N 1 0 412.538 1.785 20 0 HDADRO Cc1c(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000675134254 1074727708 /nfs/dbraw/zinc/72/77/08/1074727708.db2.gz DYTXDFINRSKKDB-ZWKOTPCHSA-N 1 0 410.522 1.728 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)nn1[C@@H](C)C1CC1 ZINC000542347130 1074727645 /nfs/dbraw/zinc/72/76/45/1074727645.db2.gz HTYLMDZNGIVDQN-HKUYNNGSSA-N 1 0 416.570 1.728 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)nn1-c1ccc(F)cc1F ZINC000518433460 1074728943 /nfs/dbraw/zinc/72/89/43/1074728943.db2.gz OBCVQHCYKCEIOR-DYVFJYSZSA-N 1 0 403.433 1.950 20 0 HDADRO O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000555882949 1074730170 /nfs/dbraw/zinc/73/01/70/1074730170.db2.gz RMOMDAYNWWJOQV-UHFFFAOYSA-N 1 0 413.444 1.762 20 0 HDADRO CC(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000556181449 1074733178 /nfs/dbraw/zinc/73/31/78/1074733178.db2.gz SQSPYMZSOLYTBP-UHFFFAOYSA-N 1 0 409.494 2.466 20 0 HDADRO COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc(F)cc1 ZINC000438783036 1074738044 /nfs/dbraw/zinc/73/80/44/1074738044.db2.gz ONUKMEUHPKZOOM-MRXNPFEDSA-N 1 0 411.393 1.766 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000477033895 1074738781 /nfs/dbraw/zinc/73/87/81/1074738781.db2.gz NWXDDGQZLWTVDN-INIZCTEOSA-N 1 0 422.957 1.400 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)nn1-c1cccc(F)c1 ZINC000539582912 1074740101 /nfs/dbraw/zinc/74/01/01/1074740101.db2.gz QRSBOHFWERCKOK-UHFFFAOYSA-N 1 0 417.485 1.610 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000675185153 1074751344 /nfs/dbraw/zinc/75/13/44/1074751344.db2.gz ZGFKPIVMRQWCDX-SFHVURJKSA-N 1 0 402.543 1.294 20 0 HDADRO C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675189834 1074752268 /nfs/dbraw/zinc/75/22/68/1074752268.db2.gz DCECIUAHWLMGNH-WBVHZDCISA-N 1 0 408.493 2.000 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000477037958 1074753085 /nfs/dbraw/zinc/75/30/85/1074753085.db2.gz YEFVUOSXAPHEOR-HNNXBMFYSA-N 1 0 414.510 1.684 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000675198858 1074755678 /nfs/dbraw/zinc/75/56/78/1074755678.db2.gz ZIUCHYJGGGBBLS-SFHVURJKSA-N 1 0 419.545 1.757 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000675198748 1074755740 /nfs/dbraw/zinc/75/57/40/1074755740.db2.gz YBOSFZAOEUIBAJ-LJQANCHMSA-N 1 0 407.603 1.979 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000675198669 1074755774 /nfs/dbraw/zinc/75/57/74/1074755774.db2.gz XIJPYARQESBEMU-QGZVFWFLSA-N 1 0 412.531 1.716 20 0 HDADRO C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1Cc2cccc(O)c2C1)c1ccc(S(N)(=O)=O)cc1 ZINC000429321976 1074755909 /nfs/dbraw/zinc/75/59/09/1074755909.db2.gz GUIWZOQSWMOGDF-DVOMOZLQSA-N 1 0 403.504 1.362 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000477054832 1074759051 /nfs/dbraw/zinc/75/90/51/1074759051.db2.gz GXMAHIDBOIKECZ-IAGOWNOFSA-N 1 0 403.527 1.414 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000675194812 1074759376 /nfs/dbraw/zinc/75/93/76/1074759376.db2.gz VTNBBNHUQNFKJA-SLFFLAALSA-N 1 0 407.603 1.693 20 0 HDADRO O=C(NCCOc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000473367162 1074766808 /nfs/dbraw/zinc/76/68/08/1074766808.db2.gz YOSGHZBLQXBGMX-UHFFFAOYSA-N 1 0 420.351 1.815 20 0 HDADRO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC[N@H+](Cc2ccccc2)C1 ZINC001128961221 1074766941 /nfs/dbraw/zinc/76/69/41/1074766941.db2.gz REXWDRWPEQLIQQ-NNWRFLSQSA-N 1 0 401.551 1.847 20 0 HDADRO CC1CC[NH+]([C@H](CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)c2ccccc2)CC1 ZINC000475829995 1074768721 /nfs/dbraw/zinc/76/87/21/1074768721.db2.gz MNOOWGXOKAWRKT-GOSISDBHSA-N 1 0 413.526 1.961 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000477079620 1074781886 /nfs/dbraw/zinc/78/18/86/1074781886.db2.gz BBWIUDFCGPWCTR-NDXORKPFSA-N 1 0 416.566 1.936 20 0 HDADRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000581922612 1074784125 /nfs/dbraw/zinc/78/41/25/1074784125.db2.gz KIWGWKKFFFGVOF-IBGZPJMESA-N 1 0 410.522 2.178 20 0 HDADRO O=C([C@H]1CC(=O)N(Cc2ccccn2)C1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000675280394 1074785571 /nfs/dbraw/zinc/78/55/71/1074785571.db2.gz DTIWKTAFQFOZAL-AZUAARDMSA-N 1 0 400.523 1.534 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000477080467 1074786469 /nfs/dbraw/zinc/78/64/69/1074786469.db2.gz IEZKYGFVKFCAKS-IEBWSBKVSA-N 1 0 402.539 1.183 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000477089055 1074790877 /nfs/dbraw/zinc/79/08/77/1074790877.db2.gz ZPQPNBGDVBOAIG-RHSMWYFYSA-N 1 0 416.501 1.362 20 0 HDADRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000675306990 1074795329 /nfs/dbraw/zinc/79/53/29/1074795329.db2.gz DENOHTBDUUCUAJ-MAUKXSAKSA-N 1 0 420.941 1.798 20 0 HDADRO C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC[NH+](C)CC1 ZINC000675307063 1074795840 /nfs/dbraw/zinc/79/58/40/1074795840.db2.gz UAKWTCNDUGFMLV-GUYCJALGSA-N 1 0 406.914 1.408 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000477103225 1074801111 /nfs/dbraw/zinc/80/11/11/1074801111.db2.gz VBPAAXHWGJQTPL-CABCVRRESA-N 1 0 423.945 1.759 20 0 HDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675326775 1074807909 /nfs/dbraw/zinc/80/79/09/1074807909.db2.gz ZXKICLDEIXIXQK-CSMYWGQOSA-N 1 0 404.898 1.160 20 0 HDADRO CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCC ZINC000670501964 1074816438 /nfs/dbraw/zinc/81/64/38/1074816438.db2.gz CCJLRNPMXBTOJH-ZWKOTPCHSA-N 1 0 403.523 1.886 20 0 HDADRO CCOc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCC ZINC000670501962 1074816609 /nfs/dbraw/zinc/81/66/09/1074816609.db2.gz CCJLRNPMXBTOJH-QZTJIDSGSA-N 1 0 403.523 1.886 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000477112160 1074817801 /nfs/dbraw/zinc/81/78/01/1074817801.db2.gz ZSVRIOIPFPYFKN-MSOLQXFVSA-N 1 0 404.555 1.370 20 0 HDADRO CCN1CC[NH+](CCCCNC(=O)C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000670506004 1075092369 /nfs/dbraw/zinc/09/23/69/1075092369.db2.gz YHLOFSKZXWOTNF-UHFFFAOYSA-N 1 0 414.472 1.856 20 0 HDADRO CCn1c(CNC(=O)C(=O)NCc2ccccc2OCC[NH+](C)C)nc2ccccc21 ZINC000785477475 1075092443 /nfs/dbraw/zinc/09/24/43/1075092443.db2.gz IYXTVWBGHFVEHC-UHFFFAOYSA-N 1 0 423.517 1.929 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000509326008 1075099708 /nfs/dbraw/zinc/09/97/08/1075099708.db2.gz DXWCCDWVRYLQCX-UHFFFAOYSA-N 1 0 423.945 1.265 20 0 HDADRO Cc1cc(NC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n(C2CC[NH+](C)CC2)n1 ZINC000429335610 1075101016 /nfs/dbraw/zinc/10/10/16/1075101016.db2.gz YVDZRQPTESCYEL-CYBMUJFWSA-N 1 0 416.448 1.991 20 0 HDADRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1(CC)CC ZINC000429338596 1075104857 /nfs/dbraw/zinc/10/48/57/1075104857.db2.gz NISMAFGWMBVNHQ-ZWKOTPCHSA-N 1 0 410.603 1.619 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000670513592 1075116632 /nfs/dbraw/zinc/11/66/32/1075116632.db2.gz WFJXPMYUJLYYQQ-KRWDZBQOSA-N 1 0 415.456 1.837 20 0 HDADRO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000675379839 1075118764 /nfs/dbraw/zinc/11/87/64/1075118764.db2.gz QYNRHHAUYUTYDW-SUMWQHHRSA-N 1 0 422.888 1.301 20 0 HDADRO C[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1CCCC1 ZINC000675389618 1075122087 /nfs/dbraw/zinc/12/20/87/1075122087.db2.gz XRLWRUOIXQKSRA-KRWDZBQOSA-N 1 0 424.904 1.691 20 0 HDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)CC1 ZINC000675396749 1075125968 /nfs/dbraw/zinc/12/59/68/1075125968.db2.gz KZBDZKZOVDZVMR-ROUUACIJSA-N 1 0 412.538 1.573 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCCn2cnc3ccccc32)CC1 ZINC000737236421 1075136164 /nfs/dbraw/zinc/13/61/64/1075136164.db2.gz PRHWKXIVAOFSOQ-UHFFFAOYSA-N 1 0 406.490 1.543 20 0 HDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000543627473 1075137668 /nfs/dbraw/zinc/13/76/68/1075137668.db2.gz CYDXCDPIBNPOPK-OAHLLOKOSA-N 1 0 417.597 1.649 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)C1 ZINC000675423734 1075139798 /nfs/dbraw/zinc/13/97/98/1075139798.db2.gz NLAISYZNGXNCDQ-UXHICEINSA-N 1 0 414.550 1.325 20 0 HDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)C1 ZINC000675423735 1075139864 /nfs/dbraw/zinc/13/98/64/1075139864.db2.gz NLAISYZNGXNCDQ-VQTJNVASSA-N 1 0 414.550 1.325 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCC3(CC2)OCc2ccccc23)C1 ZINC000675424742 1075140113 /nfs/dbraw/zinc/14/01/13/1075140113.db2.gz YVEXSBBFNMQFPF-KRWDZBQOSA-N 1 0 400.523 1.805 20 0 HDADRO COCCCn1ccc(NC(=O)C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000444518848 1075143245 /nfs/dbraw/zinc/14/32/45/1075143245.db2.gz FDZREZCMITXMIY-IBGZPJMESA-N 1 0 413.522 1.981 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675451504 1075152475 /nfs/dbraw/zinc/15/24/75/1075152475.db2.gz FTRMANOYDUVCRQ-GUYCJALGSA-N 1 0 424.904 1.691 20 0 HDADRO O=C(NCCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000675457868 1075156855 /nfs/dbraw/zinc/15/68/55/1075156855.db2.gz XZCJKWSKDWQEIZ-IBGZPJMESA-N 1 0 415.600 1.590 20 0 HDADRO C[NH+](C)CCOc1ccccc1N1CCN(S(=O)(=O)CC[C@@H]2CCCO2)CC1 ZINC000675464976 1075160712 /nfs/dbraw/zinc/16/07/12/1075160712.db2.gz RAOOPKLTBAILBT-SFHVURJKSA-N 1 0 411.568 1.648 20 0 HDADRO CC(=O)NCc1ccc(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)s1 ZINC000675469144 1075163653 /nfs/dbraw/zinc/16/36/53/1075163653.db2.gz FYJJYDRGTMEVGR-AWEZNQCLSA-N 1 0 409.533 1.902 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000603775325 1075165104 /nfs/dbraw/zinc/16/51/04/1075165104.db2.gz UDXLPOMTBNPEBC-CQSZACIVSA-N 1 0 412.400 1.879 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000443652352 1075165114 /nfs/dbraw/zinc/16/51/14/1075165114.db2.gz KAFQSTSUHOVMOM-QGZVFWFLSA-N 1 0 410.478 1.646 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000507153293 1075165141 /nfs/dbraw/zinc/16/51/41/1075165141.db2.gz FURNIPSRZPQHMF-SFHVURJKSA-N 1 0 418.457 1.686 20 0 HDADRO COCCN(C)c1ccc(CNc2ncn(Cc3ncc(C)c(OC)c3C)n2)cn1 ZINC000432752108 1075165855 /nfs/dbraw/zinc/16/58/55/1075165855.db2.gz IMUSRHPKHUFHRH-UHFFFAOYSA-N 1 0 411.510 2.437 20 0 HDADRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000144233062 1075166241 /nfs/dbraw/zinc/16/62/41/1075166241.db2.gz GNSZJENGDAMOFK-IRXDYDNUSA-N 1 0 404.511 1.815 20 0 HDADRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000144232875 1075166245 /nfs/dbraw/zinc/16/62/45/1075166245.db2.gz GNSZJENGDAMOFK-DLBZAZTESA-N 1 0 404.511 1.815 20 0 HDADRO COC(=O)C1(C)CCC([NH2+]CC(=O)NC[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC001168757932 1075167321 /nfs/dbraw/zinc/16/73/21/1075167321.db2.gz CPJSTMYYRSGUDP-CXJKMVGQSA-N 1 0 408.495 1.565 20 0 HDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2O1 ZINC000675472749 1075167902 /nfs/dbraw/zinc/16/79/02/1075167902.db2.gz RSLNLFBNDYIRAB-AWEZNQCLSA-N 1 0 410.517 1.608 20 0 HDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2ccnn2)C[N@@H+]1Cc1ccccc1 ZINC000466681948 1075169590 /nfs/dbraw/zinc/16/95/90/1075169590.db2.gz VGZTZVDZLPMRMU-WMZOPIPTSA-N 1 0 404.474 1.985 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)c2ccccc2O1 ZINC000675491227 1075175154 /nfs/dbraw/zinc/17/51/54/1075175154.db2.gz GPMJPICGFSJHMH-QGZVFWFLSA-N 1 0 408.458 1.814 20 0 HDADRO CNC(=O)COc1ccc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1OC ZINC000675490955 1075175272 /nfs/dbraw/zinc/17/52/72/1075175272.db2.gz FVHVQCXGYMMYPC-INIZCTEOSA-N 1 0 413.474 1.789 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)c2ccccc2O1 ZINC000675490640 1075175577 /nfs/dbraw/zinc/17/55/77/1075175577.db2.gz LCXLPGJQSYKTNN-INIZCTEOSA-N 1 0 403.504 1.622 20 0 HDADRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)NCc1ccccc1CN1CCCC1=O ZINC000675499595 1075180332 /nfs/dbraw/zinc/18/03/32/1075180332.db2.gz NFTISOFDXPZBEJ-UHFFFAOYSA-N 1 0 407.518 1.642 20 0 HDADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC(S(C)(=O)=O)CC2)CC1 ZINC000675504174 1075186275 /nfs/dbraw/zinc/18/62/75/1075186275.db2.gz ZVWAJQTYCUPZNA-UHFFFAOYSA-N 1 0 407.580 1.538 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)NCCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000675531315 1075192165 /nfs/dbraw/zinc/19/21/65/1075192165.db2.gz VXXIBYCNTZYAFE-UHFFFAOYSA-N 1 0 403.449 1.804 20 0 HDADRO CSc1nc2nc(C)c(CC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)c(C)n2n1 ZINC000675536692 1075194552 /nfs/dbraw/zinc/19/45/52/1075194552.db2.gz CFRKKFRADJBCPP-HNNXBMFYSA-N 1 0 404.540 1.375 20 0 HDADRO COc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc(Cl)c1OCC(N)=O ZINC000675538436 1075195015 /nfs/dbraw/zinc/19/50/15/1075195015.db2.gz YUMPJAVVTQECBL-AWEZNQCLSA-N 1 0 411.886 1.196 20 0 HDADRO CCOc1ccc(C(=O)NCC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1OCC ZINC000675538509 1075195673 /nfs/dbraw/zinc/19/56/73/1075195673.db2.gz IPLXYJNZVIOUNW-SFHVURJKSA-N 1 0 419.522 1.583 20 0 HDADRO COc1cccc(C[C@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)n2nnnc2C)c1 ZINC000675541236 1075196963 /nfs/dbraw/zinc/19/69/63/1075196963.db2.gz MDGCFZRDXGRJLT-UYAOXDASSA-N 1 0 414.510 1.143 20 0 HDADRO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675540779 1075197346 /nfs/dbraw/zinc/19/73/46/1075197346.db2.gz ITBYUYPMAPUFPO-MOPGFXCFSA-N 1 0 402.474 1.274 20 0 HDADRO COCC[C@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccc(C)o1 ZINC000427309458 1075197479 /nfs/dbraw/zinc/19/74/79/1075197479.db2.gz PQKLZPVXHQDQPI-INIZCTEOSA-N 1 0 403.483 1.884 20 0 HDADRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000675528001 1075200497 /nfs/dbraw/zinc/20/04/97/1075200497.db2.gz GFRYFRDZNNLICH-UHFFFAOYSA-N 1 0 400.479 1.813 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000675558434 1075202174 /nfs/dbraw/zinc/20/21/74/1075202174.db2.gz KMFQCMHKHWXNQW-LJQANCHMSA-N 1 0 414.554 1.424 20 0 HDADRO CN1CCN(c2ncc(C[NH2+][C@@]3(CO)CCCN(Cc4ccccc4)C3)cn2)CC1 ZINC000675552930 1075207341 /nfs/dbraw/zinc/20/73/41/1075207341.db2.gz MTNZVGUDHJITTR-QHCPKHFHSA-N 1 0 410.566 1.345 20 0 HDADRO COc1ncc(NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1C(N)=O ZINC000675587576 1075214710 /nfs/dbraw/zinc/21/47/10/1075214710.db2.gz CRCPQFJKEMSBLX-UHFFFAOYSA-N 1 0 417.510 1.242 20 0 HDADRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000466687689 1075215922 /nfs/dbraw/zinc/21/59/22/1075215922.db2.gz ZLINDWYFTNHAMU-HOTGVXAUSA-N 1 0 423.535 1.164 20 0 HDADRO Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)no1 ZINC000497380496 1075220800 /nfs/dbraw/zinc/22/08/00/1075220800.db2.gz CCNSSZZZRKPPRC-GJZGRUSLSA-N 1 0 410.540 1.755 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cn1 ZINC000675608710 1075220846 /nfs/dbraw/zinc/22/08/46/1075220846.db2.gz STEKJXLWQXCZAK-KRWDZBQOSA-N 1 0 415.494 1.970 20 0 HDADRO CN(C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675606089 1075222765 /nfs/dbraw/zinc/22/27/65/1075222765.db2.gz VACWVDOOIMCINU-FYYLOGMGSA-N 1 0 414.594 1.811 20 0 HDADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)n1 ZINC000425940237 1075223772 /nfs/dbraw/zinc/22/37/72/1075223772.db2.gz GSKZTSLRZYQZLJ-QGZVFWFLSA-N 1 0 405.543 2.334 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cn1 ZINC000675607767 1075225065 /nfs/dbraw/zinc/22/50/65/1075225065.db2.gz PGFNXORZNJJQFX-UHFFFAOYSA-N 1 0 413.887 1.079 20 0 HDADRO Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)no1 ZINC000557023542 1075226266 /nfs/dbraw/zinc/22/62/66/1075226266.db2.gz RQPIPSYHGGKDLZ-YOEHRIQHSA-N 1 0 418.519 2.249 20 0 HDADRO CC[NH+]1CCC(NC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC000555700512 1075226604 /nfs/dbraw/zinc/22/66/04/1075226604.db2.gz NLPWZKMRPARVDI-UHFFFAOYSA-N 1 0 401.433 1.619 20 0 HDADRO C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 ZINC000675588005 1075226689 /nfs/dbraw/zinc/22/66/89/1075226689.db2.gz OLMDMRKGMYVCOP-IBGZPJMESA-N 1 0 415.494 1.257 20 0 HDADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675591265 1075228758 /nfs/dbraw/zinc/22/87/58/1075228758.db2.gz XWZNYRQTNUMIOR-IBGZPJMESA-N 1 0 417.485 1.730 20 0 HDADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)n1 ZINC000555315393 1075229705 /nfs/dbraw/zinc/22/97/05/1075229705.db2.gz DONYKMFHANLZJD-CJNGLKHVSA-N 1 0 401.467 2.053 20 0 HDADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 ZINC000675592604 1075231197 /nfs/dbraw/zinc/23/11/97/1075231197.db2.gz MBDOEXMIMLTGBE-HXUWFJFHSA-N 1 0 413.522 1.899 20 0 HDADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000470194100 1075231722 /nfs/dbraw/zinc/23/17/22/1075231722.db2.gz NEJCUCFJSONICY-MRXNPFEDSA-N 1 0 403.504 1.846 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)c1ccc(F)cc1 ZINC000675594966 1075233076 /nfs/dbraw/zinc/23/30/76/1075233076.db2.gz RWZKYTZTBVAYTC-MSOLQXFVSA-N 1 0 403.458 1.559 20 0 HDADRO O=C(Nc1cnn(C[C@H]2CCCO2)c1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000675596457 1075233946 /nfs/dbraw/zinc/23/39/46/1075233946.db2.gz RCFNVZBEODWYPC-LJQANCHMSA-N 1 0 403.527 1.914 20 0 HDADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)Nc2cc(C)n(C)n2)CC1 ZINC000555279852 1075234767 /nfs/dbraw/zinc/23/47/67/1075234767.db2.gz HQPLKGNPDCFIQQ-UHFFFAOYSA-N 1 0 404.902 2.101 20 0 HDADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Cc2nnc(NC)s2)CC1 ZINC000569629102 1075235082 /nfs/dbraw/zinc/23/50/82/1075235082.db2.gz BDTOBRLHSFMNCA-ZDUSSCGKSA-N 1 0 406.531 2.281 20 0 HDADRO O=C(Nc1cnn(CC2CC2)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000675598447 1075235275 /nfs/dbraw/zinc/23/52/75/1075235275.db2.gz UYBLSBRZEDUXFH-UYAOXDASSA-N 1 0 411.506 1.231 20 0 HDADRO C[N@H+](CCNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)Cc1ccc(F)cc1 ZINC000675599003 1075236539 /nfs/dbraw/zinc/23/65/39/1075236539.db2.gz RBGMZAVXTRGBGP-SFHVURJKSA-N 1 0 403.458 1.388 20 0 HDADRO CCNC(=O)C1(CNc2cc(NCC3(C(=O)NCC)CCC3)[nH+]c(C)n2)CCC1 ZINC000580809471 1075238825 /nfs/dbraw/zinc/23/88/25/1075238825.db2.gz DCEQLWLKRSNYPM-UHFFFAOYSA-N 1 0 402.543 2.222 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000804220255 1075240171 /nfs/dbraw/zinc/24/01/71/1075240171.db2.gz SCXDKYGIGUBGCY-IERDGZPVSA-N 1 0 412.575 1.986 20 0 HDADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000472969329 1075245378 /nfs/dbraw/zinc/24/53/78/1075245378.db2.gz YBWPNZKBDBQOOI-YTQUADARSA-N 1 0 411.506 1.619 20 0 HDADRO COC[C@H](C)n1ccc(NC(=O)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000426964876 1075245470 /nfs/dbraw/zinc/24/54/70/1075245470.db2.gz NDYKSUBHPLNGRT-AOCRQIFASA-N 1 0 405.543 2.188 20 0 HDADRO COc1cc(OC)cc(OCCNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000675650364 1075247281 /nfs/dbraw/zinc/24/72/81/1075247281.db2.gz BAKZUOUQEXNLMO-INIZCTEOSA-N 1 0 406.527 1.550 20 0 HDADRO COCCn1c(N)c(C(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(C)C)c(=O)[nH]c1=O ZINC000675663585 1075251439 /nfs/dbraw/zinc/25/14/39/1075251439.db2.gz BMIUFNWXASHTJB-SFHVURJKSA-N 1 0 400.479 1.616 20 0 HDADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000675665646 1075251977 /nfs/dbraw/zinc/25/19/77/1075251977.db2.gz MWTPVWGXLFUHFX-FXAWDEMLSA-N 1 0 406.571 1.617 20 0 HDADRO COCc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)o1 ZINC000427317904 1075256181 /nfs/dbraw/zinc/25/61/81/1075256181.db2.gz YQSVBMMNSVUYJT-KRWDZBQOSA-N 1 0 415.494 2.191 20 0 HDADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCC(F)(F)C3)c2)CC1 ZINC000675704573 1075257482 /nfs/dbraw/zinc/25/74/82/1075257482.db2.gz NMFWAXGJTDMUFP-INIZCTEOSA-N 1 0 408.449 1.626 20 0 HDADRO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000675736030 1075261349 /nfs/dbraw/zinc/26/13/49/1075261349.db2.gz HDKJAZNUPSOAGM-JKSUJKDBSA-N 1 0 400.566 1.947 20 0 HDADRO CO[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1cccc(Cl)c1 ZINC000427588719 1075262507 /nfs/dbraw/zinc/26/25/07/1075262507.db2.gz PFLQXMWXRMSVBU-KRWDZBQOSA-N 1 0 419.913 2.246 20 0 HDADRO CN(C)C(=O)c1ccc(CNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000543644284 1075263703 /nfs/dbraw/zinc/26/37/03/1075263703.db2.gz IHFIFHJSBRQEEM-UHFFFAOYSA-N 1 0 415.582 1.948 20 0 HDADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000675760227 1075265724 /nfs/dbraw/zinc/26/57/24/1075265724.db2.gz PVCYILOOKOBESG-AWEZNQCLSA-N 1 0 401.916 1.276 20 0 HDADRO COc1cc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000675760228 1075265846 /nfs/dbraw/zinc/26/58/46/1075265846.db2.gz PVCYILOOKOBESG-CQSZACIVSA-N 1 0 401.916 1.276 20 0 HDADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000675764978 1075268637 /nfs/dbraw/zinc/26/86/37/1075268637.db2.gz YTKNZNNNLTVBLL-CQSZACIVSA-N 1 0 411.549 1.495 20 0 HDADRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000675771548 1075268793 /nfs/dbraw/zinc/26/87/93/1075268793.db2.gz IBWCNUVJIYHFBI-UHFFFAOYSA-N 1 0 403.570 1.229 20 0 HDADRO O=S(=O)(CCNc1nc2c(cccc2F)o1)N1CCN(c2ccccn2)CC1 ZINC000485836126 1075275561 /nfs/dbraw/zinc/27/55/61/1075275561.db2.gz UXOGLZJUKWFJGO-UHFFFAOYSA-N 1 0 405.455 1.926 20 0 HDADRO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CCN(S(C)(=O)=O)CC2)s1 ZINC000675813768 1075275649 /nfs/dbraw/zinc/27/56/49/1075275649.db2.gz LLYQYBKWIILLAO-UHFFFAOYSA-N 1 0 423.626 1.335 20 0 HDADRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000675816692 1075276000 /nfs/dbraw/zinc/27/60/00/1075276000.db2.gz FGAGVUSNGUUWDG-MRXNPFEDSA-N 1 0 411.572 1.444 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000466698424 1075279255 /nfs/dbraw/zinc/27/92/55/1075279255.db2.gz XLPBVSNCJYDOHF-VQIMIIECSA-N 1 0 404.474 1.985 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000466698421 1075279398 /nfs/dbraw/zinc/27/93/98/1075279398.db2.gz XLPBVSNCJYDOHF-APWZRJJASA-N 1 0 404.474 1.985 20 0 HDADRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1 ZINC000675853130 1075283618 /nfs/dbraw/zinc/28/36/18/1075283618.db2.gz PQVISHAIHICVPB-HOCLYGCPSA-N 1 0 402.520 1.623 20 0 HDADRO CC[C@H]1CN(C(=O)Nc2cccc3c2CCN3C(=O)COC)CC[N@@H+]1C[C@@H](C)O ZINC000543651511 1075284185 /nfs/dbraw/zinc/28/41/85/1075284185.db2.gz IPVDKTYZGDNRJA-CVEARBPZSA-N 1 0 404.511 1.531 20 0 HDADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429382045 1075286586 /nfs/dbraw/zinc/28/65/86/1075286586.db2.gz IMAQEIIRRNVGPQ-AWEZNQCLSA-N 1 0 410.540 1.087 20 0 HDADRO CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](n2ccnn2)C1 ZINC001129122900 1075290734 /nfs/dbraw/zinc/29/07/34/1075290734.db2.gz XFIZDCREQVVYKM-LWMJJDPFSA-N 1 0 403.527 1.418 20 0 HDADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC2(CC[N@H+](CCCN3CCCC3=O)C2)CC1 ZINC001035208126 1075293520 /nfs/dbraw/zinc/29/35/20/1075293520.db2.gz OTDRPLFVKWJAHI-IYWGDAJJSA-N 1 0 401.551 1.737 20 0 HDADRO O=C(N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@@H]1n1ccnn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001129118218 1075293917 /nfs/dbraw/zinc/29/39/17/1075293917.db2.gz HUOPFKOIRDLKBM-KDNLLOOPSA-N 1 0 413.444 1.776 20 0 HDADRO COCC(=O)N1CCc2c1cccc2NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000543652145 1075296748 /nfs/dbraw/zinc/29/67/48/1075296748.db2.gz MCOKCUVVQBDAFP-UHFFFAOYSA-N 1 0 403.527 1.371 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)C[N@@H+]1Cc1ccccc1 ZINC000466706636 1075297936 /nfs/dbraw/zinc/29/79/36/1075297936.db2.gz QSQJZEHPGZPSIL-RHSMWYFYSA-N 1 0 408.458 1.849 20 0 HDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000675937540 1075298837 /nfs/dbraw/zinc/29/88/37/1075298837.db2.gz YYJLDZDVYKMKAN-QGZVFWFLSA-N 1 0 416.522 1.745 20 0 HDADRO COc1cc(CN(C)C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1SC ZINC000532995678 1075299265 /nfs/dbraw/zinc/29/92/65/1075299265.db2.gz NFZKLQUDEMMTGA-UHFFFAOYSA-N 1 0 405.524 1.772 20 0 HDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(Cc4cccc(F)c4)CC3)C2)CC1 ZINC000675988746 1075315287 /nfs/dbraw/zinc/31/52/87/1075315287.db2.gz DKTUNCXOKVCGHM-FQEVSTJZSA-N 1 0 403.546 1.821 20 0 HDADRO COc1cccc2c1OCC[C@@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000675976000 1075317786 /nfs/dbraw/zinc/31/77/86/1075317786.db2.gz CNSBWOQMTUMQAL-IRXDYDNUSA-N 1 0 402.495 1.467 20 0 HDADRO COc1ccccc1OCCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000675978542 1075317862 /nfs/dbraw/zinc/31/78/62/1075317862.db2.gz JDQGZPJEBNFXGV-QGZVFWFLSA-N 1 0 404.511 1.412 20 0 HDADRO CCOC(=O)c1cn(C)nc1NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000544258039 1075319801 /nfs/dbraw/zinc/31/98/01/1075319801.db2.gz RMVKYOFRRGVHBG-UHFFFAOYSA-N 1 0 406.531 1.669 20 0 HDADRO CCOC(=O)c1cn(C)nc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000469930136 1075319906 /nfs/dbraw/zinc/31/99/06/1075319906.db2.gz QWXSZVRSLHPGJY-UHFFFAOYSA-N 1 0 417.432 2.524 20 0 HDADRO Cn1ccnc1C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000675996169 1075320155 /nfs/dbraw/zinc/32/01/55/1075320155.db2.gz GRKQKMVLJZVGKW-UXHICEINSA-N 1 0 424.549 1.652 20 0 HDADRO CO[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1Cl ZINC000676004187 1075322347 /nfs/dbraw/zinc/32/23/47/1075322347.db2.gz RMAZOKXARBQCKD-ROUUACIJSA-N 1 0 408.930 1.976 20 0 HDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000731401004 1075330101 /nfs/dbraw/zinc/33/01/01/1075330101.db2.gz IUJLQAOWHSFRMX-OKZBNKHCSA-N 1 0 423.535 1.624 20 0 HDADRO CC[NH+]1CCN([C@H]2CCN([C@H]3CCN(c4sccc4C(=O)OC)C3=O)C2)CC1 ZINC000466708165 1075332477 /nfs/dbraw/zinc/33/24/77/1075332477.db2.gz XFYOVGQPNRADHI-RDJZCZTQSA-N 1 0 406.552 1.352 20 0 HDADRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCCOc1cccnc1 ZINC000804078923 1075333485 /nfs/dbraw/zinc/33/34/85/1075333485.db2.gz SPLQIDKZAKVDOS-UHFFFAOYSA-N 1 0 406.433 1.445 20 0 HDADRO COCC(=O)N1CCc2c1cccc2NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000543653874 1075337410 /nfs/dbraw/zinc/33/74/10/1075337410.db2.gz VKMIYCIXUDAKTA-UXHICEINSA-N 1 0 416.522 1.721 20 0 HDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2COC2CCOCC2)CC1 ZINC000676044600 1075339396 /nfs/dbraw/zinc/33/93/96/1075339396.db2.gz DHWJQAVWUNHRBI-NRFANRHFSA-N 1 0 415.534 1.937 20 0 HDADRO C[C@H](NC(=O)CNC(=O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccc(F)cc1 ZINC000429394820 1075349053 /nfs/dbraw/zinc/34/90/53/1075349053.db2.gz PLDBIYUEZVLMGG-SJORKVTESA-N 1 0 404.530 1.925 20 0 HDADRO C[C@@H](Cc1cccc(Br)c1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676092261 1075352464 /nfs/dbraw/zinc/35/24/64/1075352464.db2.gz DRGIVNHZDAKVKB-ZDUSSCGKSA-N 1 0 422.327 1.893 20 0 HDADRO COc1ccc(-n2ccc(CNC(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)n2)cc1 ZINC000507140099 1075353009 /nfs/dbraw/zinc/35/30/09/1075353009.db2.gz GVVOHLMEUYXQFE-UHFFFAOYSA-N 1 0 417.429 1.717 20 0 HDADRO CC[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000676093837 1075353630 /nfs/dbraw/zinc/35/36/30/1075353630.db2.gz WVPLMBZAUFHNFR-MRXNPFEDSA-N 1 0 401.467 1.422 20 0 HDADRO CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C12CCC2 ZINC000427250123 1075354069 /nfs/dbraw/zinc/35/40/69/1075354069.db2.gz QJDJFCZYCSVKRG-DLBZAZTESA-N 1 0 403.527 1.894 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)cn1 ZINC000676093409 1075354313 /nfs/dbraw/zinc/35/43/13/1075354313.db2.gz IQIGTACIFFZZIB-UHFFFAOYSA-N 1 0 415.494 1.248 20 0 HDADRO O=C(NCc1cccc(Cn2cccn2)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094019 1075355153 /nfs/dbraw/zinc/35/51/53/1075355153.db2.gz ZJCYBSOLRLKAPJ-UHFFFAOYSA-N 1 0 401.430 1.767 20 0 HDADRO COc1ccccc1N1CC[C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676094051 1075355186 /nfs/dbraw/zinc/35/51/86/1075355186.db2.gz PNRWCOTXMGIGPZ-INIZCTEOSA-N 1 0 414.510 1.035 20 0 HDADRO O=C(CC1CCCC1)N1CCCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676094806 1075355293 /nfs/dbraw/zinc/35/52/93/1075355293.db2.gz RRAQVONPZMDAAK-UHFFFAOYSA-N 1 0 424.505 1.847 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCc2ccccc2Br)cn1 ZINC000676094688 1075355539 /nfs/dbraw/zinc/35/55/39/1075355539.db2.gz YYKSJTKHGNHALF-UHFFFAOYSA-N 1 0 408.300 1.505 20 0 HDADRO Cc1c(C(=O)N2CCCC[C@@H]2C2OCCO2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731460765 1075356028 /nfs/dbraw/zinc/35/60/28/1075356028.db2.gz BACBIVJQUBUELM-LJQANCHMSA-N 1 0 411.506 1.931 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCOc2ccc(Br)cc2)cn1 ZINC000676094614 1075356213 /nfs/dbraw/zinc/35/62/13/1075356213.db2.gz XNANEMIVZXZRJU-UHFFFAOYSA-N 1 0 424.299 1.341 20 0 HDADRO CCO[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1(CC)CC ZINC000427218991 1075357856 /nfs/dbraw/zinc/35/78/56/1075357856.db2.gz XCKHCYHIGQWYQY-MSOLQXFVSA-N 1 0 419.570 2.531 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCCc2cccc(Br)c2)cn1 ZINC000676095308 1075357960 /nfs/dbraw/zinc/35/79/60/1075357960.db2.gz KRXBOGOOHZMTEH-UHFFFAOYSA-N 1 0 422.327 1.895 20 0 HDADRO CN(C)c1cc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c2ccccc2n1 ZINC000676096923 1075358336 /nfs/dbraw/zinc/35/83/36/1075358336.db2.gz HKNRHHHOLKXOGT-UHFFFAOYSA-N 1 0 409.494 1.314 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cn1 ZINC000676097042 1075360412 /nfs/dbraw/zinc/36/04/12/1075360412.db2.gz MCAUNAQHTXDOLD-CYBMUJFWSA-N 1 0 412.277 1.940 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1noc(Cc2ccccc2)n1 ZINC000676098935 1075363131 /nfs/dbraw/zinc/36/31/31/1075363131.db2.gz IJZJVAUXOKDEKY-AWEZNQCLSA-N 1 0 411.466 1.234 20 0 HDADRO CC[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1nnc2n1CCCCC2 ZINC000676098392 1075363718 /nfs/dbraw/zinc/36/37/18/1075363718.db2.gz KZHSAECOQZUMHM-MRXNPFEDSA-N 1 0 408.466 1.791 20 0 HDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)Nc1noc(C)c1C ZINC000556159950 1075363843 /nfs/dbraw/zinc/36/38/43/1075363843.db2.gz VPZJMJHGLFFRTJ-UHFFFAOYSA-N 1 0 401.467 2.019 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cn1 ZINC000676099806 1075364254 /nfs/dbraw/zinc/36/42/54/1075364254.db2.gz XOCISUXWXPZNHE-CYBMUJFWSA-N 1 0 406.437 1.057 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cn1 ZINC000676099592 1075365341 /nfs/dbraw/zinc/36/53/41/1075365341.db2.gz TVCBVLIOQHXTHK-HXUWFJFHSA-N 1 0 413.522 1.634 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1nc(Cc2ccccc2)no1 ZINC000676099251 1075365928 /nfs/dbraw/zinc/36/59/28/1075365928.db2.gz NAIUNBBFPBZQLS-AWEZNQCLSA-N 1 0 411.466 1.234 20 0 HDADRO O=C(CCCN1C(=O)c2ccccc2C1=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000676086806 1075369308 /nfs/dbraw/zinc/36/93/08/1075369308.db2.gz AXKUBFJDVNOFRY-WOJBJXKFSA-N 1 0 413.518 1.947 20 0 HDADRO CS(=O)(=O)NCCc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000676086933 1075369315 /nfs/dbraw/zinc/36/93/15/1075369315.db2.gz CJDAWTZCOZYHRH-WOJBJXKFSA-N 1 0 423.579 1.276 20 0 HDADRO NC(=O)c1ccc(N2CCN(CCC[NH+]3CCN(c4ccccc4)CC3)CC2)nc1 ZINC000509383054 1075370546 /nfs/dbraw/zinc/37/05/46/1075370546.db2.gz CRFVCNOZTQOFRT-UHFFFAOYSA-N 1 0 408.550 1.515 20 0 HDADRO CC(C)NC(=O)Nc1ccccc1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731481275 1075371412 /nfs/dbraw/zinc/37/14/12/1075371412.db2.gz RMZFWZIBXSHHJO-UHFFFAOYSA-N 1 0 403.527 1.889 20 0 HDADRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)C1 ZINC000731481189 1075371535 /nfs/dbraw/zinc/37/15/35/1075371535.db2.gz OLJXLMQJNQJMDV-MRXNPFEDSA-N 1 0 403.527 1.950 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 ZINC000731480845 1075371877 /nfs/dbraw/zinc/37/18/77/1075371877.db2.gz KUNKCUZCEJVPKK-UHFFFAOYSA-N 1 0 422.913 1.124 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCNc2ncc(Cl)cc2Cl)cn1 ZINC000676089925 1075372222 /nfs/dbraw/zinc/37/22/22/1075372222.db2.gz PHFPGEXZTDPCNX-UHFFFAOYSA-N 1 0 414.297 1.313 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCc2ccc(OC(F)(F)F)cc2)cn1 ZINC000676089400 1075372560 /nfs/dbraw/zinc/37/25/60/1075372560.db2.gz JQUOMHDRPYNSDA-UHFFFAOYSA-N 1 0 413.400 1.641 20 0 HDADRO COc1ccccc1N1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676091000 1075374167 /nfs/dbraw/zinc/37/41/67/1075374167.db2.gz SNSWYLKDVHOBIA-UHFFFAOYSA-N 1 0 406.446 1.563 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(OCC(F)(F)F)cc2)cn1 ZINC000676090612 1075374544 /nfs/dbraw/zinc/37/45/44/1075374544.db2.gz VBQVTUNJJYEZMS-UHFFFAOYSA-N 1 0 413.400 1.641 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000676090310 1075375327 /nfs/dbraw/zinc/37/53/27/1075375327.db2.gz XLFWWRFBHTWGGZ-IBGZPJMESA-N 1 0 418.457 1.686 20 0 HDADRO CC(C)NC(=O)Nc1ccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000676090263 1075375659 /nfs/dbraw/zinc/37/56/59/1075375659.db2.gz VXTVUNAZGUTXHN-UHFFFAOYSA-N 1 0 415.498 1.230 20 0 HDADRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000731531643 1075377625 /nfs/dbraw/zinc/37/76/25/1075377625.db2.gz FPYVDHVUCWKWRA-HOTGVXAUSA-N 1 0 404.467 1.463 20 0 HDADRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804089287 1075384521 /nfs/dbraw/zinc/38/45/21/1075384521.db2.gz VQJXTVJZINSFRJ-IRXDYDNUSA-N 1 0 412.575 1.985 20 0 HDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804090794 1075387047 /nfs/dbraw/zinc/38/70/47/1075387047.db2.gz LFSYHKFVMFTMKS-YESZJQIVSA-N 1 0 410.559 1.739 20 0 HDADRO CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCC[N@H+](C[C@H]3CCCO3)CC1)C2=O ZINC000676113487 1075387074 /nfs/dbraw/zinc/38/70/74/1075387074.db2.gz SFTJFGWEROMSIA-VGSWGCGISA-N 1 0 420.554 1.591 20 0 HDADRO C[C@@H](CNC(=O)C(=O)Nc1ccnc(Oc2ccccc2)c1)C[NH+]1CCN(C)CC1 ZINC000429400871 1075390311 /nfs/dbraw/zinc/39/03/11/1075390311.db2.gz LJHRJVGJIOQZEW-KRWDZBQOSA-N 1 0 411.506 1.812 20 0 HDADRO COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438705086 1075391084 /nfs/dbraw/zinc/39/10/84/1075391084.db2.gz KZTMIZRYZOPJRE-UHFFFAOYSA-N 1 0 420.945 2.456 20 0 HDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804092385 1075391572 /nfs/dbraw/zinc/39/15/72/1075391572.db2.gz JWTORBYBXJHKDA-NCOADZHNSA-N 1 0 410.559 1.737 20 0 HDADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000804093765 1075393274 /nfs/dbraw/zinc/39/32/74/1075393274.db2.gz POEGQTHADIKTLL-SJORKVTESA-N 1 0 410.559 1.881 20 0 HDADRO NC(=O)c1cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)ccc1F ZINC000676124412 1075395528 /nfs/dbraw/zinc/39/55/28/1075395528.db2.gz IDJBKJYKNQXPDW-BEFAXECRSA-N 1 0 400.454 1.929 20 0 HDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)C2)CC1 ZINC000676147487 1075398467 /nfs/dbraw/zinc/39/84/67/1075398467.db2.gz HLZYGIDFROQEPA-OPAMFIHVSA-N 1 0 419.570 1.162 20 0 HDADRO COc1c(NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cccc1C(N)=O ZINC000543659127 1075401049 /nfs/dbraw/zinc/40/10/49/1075401049.db2.gz XMXAKPCCOINNEF-UHFFFAOYSA-N 1 0 403.527 1.676 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)n2)cc1 ZINC000444903705 1075408649 /nfs/dbraw/zinc/40/86/49/1075408649.db2.gz OJFRAIZBJQSUFX-MRXNPFEDSA-N 1 0 401.511 2.249 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)N3CC[N@H+](CC(C)(C)O)C[C@@H]3C)n2)cc1 ZINC000444909228 1075408712 /nfs/dbraw/zinc/40/87/12/1075408712.db2.gz YHBWMJIXJASJPD-INIZCTEOSA-N 1 0 401.511 2.249 20 0 HDADRO Cc1cccc(C)c1OC[C@H](O)CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000676167560 1075409722 /nfs/dbraw/zinc/40/97/22/1075409722.db2.gz LIIHQYFXXULDCT-AQNXPRMDSA-N 1 0 405.539 1.720 20 0 HDADRO COc1ccc(NC(=O)C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000574409078 1075420233 /nfs/dbraw/zinc/42/02/33/1075420233.db2.gz BXOLUHQBULZHRZ-UHFFFAOYSA-N 1 0 409.490 1.938 20 0 HDADRO COc1ccc(NC(=O)C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)nn1 ZINC000551767949 1075427483 /nfs/dbraw/zinc/42/74/83/1075427483.db2.gz HNPRDOJKYVTDPE-CYBMUJFWSA-N 1 0 411.384 1.862 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000446770969 1075430044 /nfs/dbraw/zinc/43/00/44/1075430044.db2.gz XVLPITRFKYFCHL-OAHLLOKOSA-N 1 0 404.490 2.136 20 0 HDADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000676195160 1075431781 /nfs/dbraw/zinc/43/17/81/1075431781.db2.gz YAFKCXXLKJQHCQ-UHFFFAOYSA-N 1 0 409.483 1.442 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)CNC(=O)C(C)(C)C)cc2)CC1 ZINC000804122033 1075434981 /nfs/dbraw/zinc/43/49/81/1075434981.db2.gz VFPYMTYVNLQHRY-UHFFFAOYSA-N 1 0 404.511 1.473 20 0 HDADRO O=C(C(=O)N1CC[NH+](Cn2ccc(=S)c3ccccc32)CC1)N1CCOCC1 ZINC000731657135 1075440318 /nfs/dbraw/zinc/44/03/18/1075440318.db2.gz BWMKHHRDMOVHCR-UHFFFAOYSA-N 1 0 400.504 1.331 20 0 HDADRO COc1ccc(OC(C)C)c(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000569183744 1075442684 /nfs/dbraw/zinc/44/26/84/1075442684.db2.gz PUEUCSQXDLFXLP-UHFFFAOYSA-N 1 0 415.494 2.523 20 0 HDADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)Cn1nnc3ccccc3c1=O)c1ccccc1O2 ZINC000676241837 1075443047 /nfs/dbraw/zinc/44/30/47/1075443047.db2.gz HXJJLJHMNNDZOP-IBGZPJMESA-N 1 0 419.485 1.896 20 0 HDADRO C[C@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676243052 1075444240 /nfs/dbraw/zinc/44/42/40/1075444240.db2.gz GVVAWQQKJJTSNI-UNMCSNQZSA-N 1 0 417.598 1.603 20 0 HDADRO Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000544168390 1075445830 /nfs/dbraw/zinc/44/58/30/1075445830.db2.gz 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CS(=O)(=O)CCN1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000731679823 1075462820 /nfs/dbraw/zinc/46/28/20/1075462820.db2.gz XCGITLXZBJEBCF-KRWDZBQOSA-N 1 0 412.556 1.225 20 0 HDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(n2cc(Br)cn2)CC1 ZINC000731684194 1075467457 /nfs/dbraw/zinc/46/74/57/1075467457.db2.gz RGPAVGQMHSRPLJ-JKSUJKDBSA-N 1 0 412.332 1.855 20 0 HDADRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(n2cc(Br)cn2)CC1 ZINC000731684192 1075467548 /nfs/dbraw/zinc/46/75/48/1075467548.db2.gz RGPAVGQMHSRPLJ-HOTGVXAUSA-N 1 0 412.332 1.855 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(OCC(F)(F)F)c1 ZINC000676276730 1075475603 /nfs/dbraw/zinc/47/56/03/1075475603.db2.gz USFGWYMFYFZPSC-MRXNPFEDSA-N 1 0 401.429 1.764 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[C@H]1CN(C)CCO1 ZINC000676278414 1075481418 /nfs/dbraw/zinc/48/14/18/1075481418.db2.gz HOERIPKGXNZCGO-SUMWQHHRSA-N 1 0 412.918 1.054 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CN(C)CCO1 ZINC000676279797 1075482583 /nfs/dbraw/zinc/48/25/83/1075482583.db2.gz QHWXPAVEWPUFSF-QAPCUYQASA-N 1 0 406.552 1.009 20 0 HDADRO CC[C@H](C)n1nc(NC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1C ZINC000539485918 1075491399 /nfs/dbraw/zinc/49/13/99/1075491399.db2.gz UEAKPAHADLWCCM-AWEZNQCLSA-N 1 0 402.499 1.753 20 0 HDADRO CN(C)C(=O)CN1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000676289136 1075492345 /nfs/dbraw/zinc/49/23/45/1075492345.db2.gz NEIFSZIXTADSFR-LJQANCHMSA-N 1 0 421.973 1.892 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@@H](N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)C1=O ZINC000466726078 1075493937 /nfs/dbraw/zinc/49/39/37/1075493937.db2.gz DMBSZIQIWCCHAU-WMLDXEAASA-N 1 0 407.536 1.825 20 0 HDADRO CN(C)C(=O)CN1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000676290655 1075495206 /nfs/dbraw/zinc/49/52/06/1075495206.db2.gz DHZCXGOTFOKVTP-UHFFFAOYSA-N 1 0 405.518 1.206 20 0 HDADRO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)CC1 ZINC000429420515 1075496232 /nfs/dbraw/zinc/49/62/32/1075496232.db2.gz CDHKTGMDSICVPS-INIZCTEOSA-N 1 0 403.527 1.615 20 0 HDADRO CN(C)C(=O)CN1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000676293868 1075497293 /nfs/dbraw/zinc/49/72/93/1075497293.db2.gz SFDIIPFCQIUIRN-UHFFFAOYSA-N 1 0 401.555 1.314 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cc(OC)c(OC)cc2OC)CC1 ZINC000509404977 1075505889 /nfs/dbraw/zinc/50/58/89/1075505889.db2.gz UBQXWJLNBKQORV-UHFFFAOYSA-N 1 0 422.526 1.408 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3nccc(N4CCOCC4)n3)c2)C1 ZINC000676310913 1075509011 /nfs/dbraw/zinc/50/90/11/1075509011.db2.gz QDFSHIJSOJOTCR-LJQANCHMSA-N 1 0 410.522 1.623 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000543669881 1075510500 /nfs/dbraw/zinc/51/05/00/1075510500.db2.gz LMFKADVDVGZZRN-AQNXPRMDSA-N 1 0 418.513 1.994 20 0 HDADRO CCc1c(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cnn1-c1ccc(OC)cc1 ZINC000547464012 1075512231 /nfs/dbraw/zinc/51/22/31/1075512231.db2.gz 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ZINC000676353555 1075529895 /nfs/dbraw/zinc/52/98/95/1075529895.db2.gz FSVDOBSABVFYKI-QGZVFWFLSA-N 1 0 418.494 1.834 20 0 HDADRO C[C@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000731847568 1075530737 /nfs/dbraw/zinc/53/07/37/1075530737.db2.gz WKLTXRBYNYBFQJ-KKSFZXQISA-N 1 0 410.559 1.788 20 0 HDADRO C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000676358325 1075531875 /nfs/dbraw/zinc/53/18/75/1075531875.db2.gz DITRZPRLIVGJGP-LMNJBCLMSA-N 1 0 402.539 1.427 20 0 HDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)NCc3cc4c([nH]c3=O)CCC4)CC2)CC1 ZINC000676386198 1075533761 /nfs/dbraw/zinc/53/37/61/1075533761.db2.gz NWGFIDKGECSKQS-UHFFFAOYSA-N 1 0 401.555 1.976 20 0 HDADRO Cc1nccc(NCc2cccc(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2)n1 ZINC000544488800 1075536538 /nfs/dbraw/zinc/53/65/38/1075536538.db2.gz STRHKSDMFPZQOC-UHFFFAOYSA-N 1 0 422.533 1.777 20 0 HDADRO COc1ccc(C(=O)CNC(=O)CCC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000676392776 1075541230 /nfs/dbraw/zinc/54/12/30/1075541230.db2.gz IUPMYSINMLLCJI-SFHVURJKSA-N 1 0 417.506 1.144 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000676392354 1075541529 /nfs/dbraw/zinc/54/15/29/1075541529.db2.gz FJUOBHWMGWHNNK-SFHVURJKSA-N 1 0 421.563 1.844 20 0 HDADRO CC(C)C[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000676395893 1075542207 /nfs/dbraw/zinc/54/22/07/1075542207.db2.gz LILBOAIVPVMWQV-QFBILLFUSA-N 1 0 401.507 1.660 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCCC2(O)CCOCC2)CC1 ZINC000509410720 1075543502 /nfs/dbraw/zinc/54/35/02/1075543502.db2.gz LJCMVKOAXGDXOS-UHFFFAOYSA-N 1 0 412.575 1.044 20 0 HDADRO C[NH+](C)[C@@]1(CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CCSC1 ZINC000804145514 1075546036 /nfs/dbraw/zinc/54/60/36/1075546036.db2.gz LAWOTMIQKLFKMP-ZWKOTPCHSA-N 1 0 411.549 1.294 20 0 HDADRO CSC1(CNC(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)CC[NH+](C)CC1 ZINC000589437234 1075547712 /nfs/dbraw/zinc/54/77/12/1075547712.db2.gz 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Cc1cc(Br)cn2c(C[NH2+]C3CCN(S(C)(=O)=O)CC3)cnc12 ZINC001649126183 1075561047 /nfs/dbraw/zinc/56/10/47/1075561047.db2.gz HRQAOAKSCKGZEU-UHFFFAOYSA-N 1 0 401.330 1.919 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C1(OCc2ccccc2)CCOCC1 ZINC000676473961 1075564161 /nfs/dbraw/zinc/56/41/61/1075564161.db2.gz YNNWLSLLKIBWPF-NRFANRHFSA-N 1 0 417.550 1.275 20 0 HDADRO CC[NH+]1CCC(CCN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 ZINC000804162854 1075566642 /nfs/dbraw/zinc/56/66/42/1075566642.db2.gz VBOJXTYINOLZTE-HXUWFJFHSA-N 1 0 407.536 1.979 20 0 HDADRO CCOc1ccc2c(c1)[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)CCO2 ZINC000676523257 1075573944 /nfs/dbraw/zinc/57/39/44/1075573944.db2.gz WRCLCIMUPTUHJV-PKOBYXMFSA-N 1 0 419.522 1.594 20 0 HDADRO C[NH+](C)CCCCC(=O)N1C[C@]2(C)CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@]2(C)C1 ZINC001487389946 1075578294 /nfs/dbraw/zinc/57/82/94/1075578294.db2.gz AJUQSQOMOHIANT-GZBLEDLRSA-N 1 0 403.567 1.839 20 0 HDADRO COc1cc2c(cc1CNC(=O)N1CCN([C@@H]3CCC[N@H+](C)C3)CC1)O[C@H](C)C2 ZINC000676543779 1075581753 /nfs/dbraw/zinc/58/17/53/1075581753.db2.gz GKWDNGXXQGYOPP-VQIMIIECSA-N 1 0 402.539 1.940 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)C1 ZINC000676552224 1075584843 /nfs/dbraw/zinc/58/48/43/1075584843.db2.gz ZCWWYPHDBCGOGC-NRFANRHFSA-N 1 0 418.501 1.998 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(Br)s1 ZINC000443841777 1075584822 /nfs/dbraw/zinc/58/48/22/1075584822.db2.gz KICVMOPZZQFCAX-SNVBAGLBSA-N 1 0 414.329 2.085 20 0 HDADRO CN(CC(=O)N(C)c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1cccnc1 ZINC000732006227 1075584981 /nfs/dbraw/zinc/58/49/81/1075584981.db2.gz MOQSOUCDAHSKLR-UHFFFAOYSA-N 1 0 406.508 1.306 20 0 HDADRO Cc1cnn(-c2ccc(NC(=O)C(=O)N[C@H](C)CN3CC[NH+](C)CC3)cc2F)c1 ZINC000429447374 1075588578 /nfs/dbraw/zinc/58/85/78/1075588578.db2.gz FJZKSYOXGWRBCU-OAHLLOKOSA-N 1 0 402.474 1.010 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cccc(CNc3ccncn3)c2)CC1 ZINC000543588050 1075590594 /nfs/dbraw/zinc/59/05/94/1075590594.db2.gz OVWBISONSHJEAL-UHFFFAOYSA-N 1 0 410.522 1.761 20 0 HDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000732056983 1075596716 /nfs/dbraw/zinc/59/67/16/1075596716.db2.gz AKZNWVRMGRWBPB-UHFFFAOYSA-N 1 0 416.444 1.729 20 0 HDADRO CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1ccccc1OCC(=O)N(C)C ZINC000429448323 1075598753 /nfs/dbraw/zinc/59/87/53/1075598753.db2.gz KJBJLSMVNXRZCN-INIZCTEOSA-N 1 0 400.545 1.027 20 0 HDADRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000468427316 1075602045 /nfs/dbraw/zinc/60/20/45/1075602045.db2.gz GVACUUBYLNEXNL-GOSISDBHSA-N 1 0 412.538 2.230 20 0 HDADRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C1 ZINC000468699556 1075603627 /nfs/dbraw/zinc/60/36/27/1075603627.db2.gz JIVJNYJVEGLFCD-QGZVFWFLSA-N 1 0 408.568 1.876 20 0 HDADRO CNC(=O)C1CCC(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000543679977 1075606816 /nfs/dbraw/zinc/60/68/16/1075606816.db2.gz 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CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000732113155 1075635508 /nfs/dbraw/zinc/63/55/08/1075635508.db2.gz MPAUIWLALRWVBO-SFHVURJKSA-N 1 0 404.536 1.050 20 0 HDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000732114401 1075635879 /nfs/dbraw/zinc/63/58/79/1075635879.db2.gz KMQLUIKVMKTELC-SFHVURJKSA-N 1 0 406.958 1.784 20 0 HDADRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000804190852 1075641423 /nfs/dbraw/zinc/64/14/23/1075641423.db2.gz NWOXUOVYAJIRDA-ADYPVZHUSA-N 1 0 409.552 1.523 20 0 HDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000732158749 1075641401 /nfs/dbraw/zinc/64/14/01/1075641401.db2.gz CWQWAQSTNYCIHH-QGZVFWFLSA-N 1 0 415.943 1.431 20 0 HDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)ccc1Cl ZINC000732159881 1075641902 /nfs/dbraw/zinc/64/19/02/1075641902.db2.gz KROMKMPIKFUWDE-HNNXBMFYSA-N 1 0 401.916 1.688 20 0 HDADRO CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000732135891 1075644866 /nfs/dbraw/zinc/64/48/66/1075644866.db2.gz XVROKMBRCIVTNO-UHFFFAOYSA-N 1 0 417.487 1.435 20 0 HDADRO Cc1cc(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1S(N)(=O)=O ZINC000676678219 1075645311 /nfs/dbraw/zinc/64/53/11/1075645311.db2.gz YJZWHPWVEBJANO-OAHLLOKOSA-N 1 0 402.520 1.993 20 0 HDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000732137486 1075645946 /nfs/dbraw/zinc/64/59/46/1075645946.db2.gz HHBUSJGFABTILM-VIFPVBQESA-N 1 0 410.359 1.762 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O ZINC000732138481 1075646944 /nfs/dbraw/zinc/64/69/44/1075646944.db2.gz DCRRIJQEURCXGH-OAHLLOKOSA-N 1 0 409.508 1.082 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000732139954 1075647250 /nfs/dbraw/zinc/64/72/50/1075647250.db2.gz VTSPWHUIDPNTEP-OAHLLOKOSA-N 1 0 413.515 1.451 20 0 HDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000732149538 1075649770 /nfs/dbraw/zinc/64/97/70/1075649770.db2.gz KWAIXCYTWUMNLW-OAHLLOKOSA-N 1 0 414.959 1.100 20 0 HDADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000676702207 1075651777 /nfs/dbraw/zinc/65/17/77/1075651777.db2.gz QXJWSCQISSGSEY-OAHLLOKOSA-N 1 0 418.519 1.450 20 0 HDADRO CCn1c(N)c(C(=O)C[NH2+]C2(c3ccc(OC)cc3)CCOCC2)c(=O)[nH]c1=O ZINC000676703168 1075655461 /nfs/dbraw/zinc/65/54/61/1075655461.db2.gz DCDWNEWFWKXZQP-UHFFFAOYSA-N 1 0 402.451 1.038 20 0 HDADRO COc1cc(C)c(CN2CCN(C(=O)C[N@@H+]3CCCOC[C@H]3C)CC2)cc1OC ZINC000676710338 1075657024 /nfs/dbraw/zinc/65/70/24/1075657024.db2.gz CCIXIDQQEPPOBB-GOSISDBHSA-N 1 0 405.539 1.767 20 0 HDADRO COc1cc(OC)c(OC)cc1CNC(=O)CON=C(N)C[N@@H+]1CCCC[C@@H]1C ZINC000732195767 1075657071 /nfs/dbraw/zinc/65/70/71/1075657071.db2.gz PBRKZZMXFVLFLH-AWEZNQCLSA-N 1 0 408.499 1.701 20 0 HDADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCOC[C@H]2C)CC1 ZINC000676711609 1075657359 /nfs/dbraw/zinc/65/73/59/1075657359.db2.gz SWPCFFIHCKZWRE-GOSISDBHSA-N 1 0 402.539 1.443 20 0 HDADRO CS[C@@H]1CN(C(=O)CCc2c(C)nc3nc(N)nn3c2C)C[C@H]1[NH+]1CCCC1 ZINC000483418227 1075662661 /nfs/dbraw/zinc/66/26/61/1075662661.db2.gz ZSFKYSYICGEFIO-HZPDHXFCSA-N 1 0 403.556 1.294 20 0 HDADRO Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000676730763 1075663411 /nfs/dbraw/zinc/66/34/11/1075663411.db2.gz UFYKFYZCOHNEGL-UHFFFAOYSA-N 1 0 411.514 1.197 20 0 HDADRO C[NH+](C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000676721182 1075666926 /nfs/dbraw/zinc/66/69/26/1075666926.db2.gz JKURSINZPFNRFT-UHFFFAOYSA-N 1 0 416.503 1.065 20 0 HDADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000676743443 1075668450 /nfs/dbraw/zinc/66/84/50/1075668450.db2.gz UVJWWRRANXTGGL-MOPGFXCFSA-N 1 0 424.567 1.555 20 0 HDADRO CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000676743448 1075668489 /nfs/dbraw/zinc/66/84/89/1075668489.db2.gz UVJWWRRANXTGGL-RBUKOAKNSA-N 1 0 424.567 1.555 20 0 HDADRO NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000732213230 1075669548 /nfs/dbraw/zinc/66/95/48/1075669548.db2.gz RZJROUALJVDRLA-LJQANCHMSA-N 1 0 400.523 1.368 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[NH+]2CCCCCC2)c1 ZINC000509431907 1075669478 /nfs/dbraw/zinc/66/94/78/1075669478.db2.gz RBDOPAJOSGMIQF-UHFFFAOYSA-N 1 0 417.597 1.871 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000732245614 1075679091 /nfs/dbraw/zinc/67/90/91/1075679091.db2.gz BRZPOHUCYBHNLN-LRDDRELGSA-N 1 0 417.337 1.913 20 0 HDADRO O=C(NCCCCN1C(=O)c2ccccc2C1=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000732246361 1075679442 /nfs/dbraw/zinc/67/94/42/1075679442.db2.gz RDTOAUQJBJWXQA-JKSUJKDBSA-N 1 0 400.479 1.225 20 0 HDADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000732222596 1075680935 /nfs/dbraw/zinc/68/09/35/1075680935.db2.gz GUNKETRYILVHLW-UHFFFAOYSA-N 1 0 412.533 1.856 20 0 HDADRO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCCCCC[NH+](C)C)c2ccccc2O1 ZINC000141809613 1075688779 /nfs/dbraw/zinc/68/87/79/1075688779.db2.gz HWBAMEFBJLTXQL-SFHVURJKSA-N 1 0 404.511 1.155 20 0 HDADRO Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)n1 ZINC001084996445 1075696349 /nfs/dbraw/zinc/69/63/49/1075696349.db2.gz JAOLDODMOIXXOJ-NXNFSMPISA-N 1 0 402.539 1.474 20 0 HDADRO CC(C)(C)N1C[C@H](NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)CC1=O ZINC000429468317 1075698743 /nfs/dbraw/zinc/69/87/43/1075698743.db2.gz IJDBEBNMIWVZMY-GOSISDBHSA-N 1 0 421.586 1.410 20 0 HDADRO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1=O ZINC000429468058 1075699669 /nfs/dbraw/zinc/69/96/69/1075699669.db2.gz LEFYKUGKZRLHQQ-ZTNFWEORSA-N 1 0 400.523 1.452 20 0 HDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000550838188 1075700391 /nfs/dbraw/zinc/70/03/91/1075700391.db2.gz CRJPOWHLGILBCK-DOMZBBRYSA-N 1 0 413.444 1.618 20 0 HDADRO CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)=O)CC1 ZINC001545676659 1075701350 /nfs/dbraw/zinc/70/13/50/1075701350.db2.gz HOHQHUPCPYMSPG-KRWDZBQOSA-N 1 0 419.574 1.189 20 0 HDADRO COc1cc2nc(NC[C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)nc(N)c2cc1OC ZINC000536304782 1075702175 /nfs/dbraw/zinc/70/21/75/1075702175.db2.gz HZQYFXGGONJOBJ-JKSUJKDBSA-N 1 0 409.490 1.698 20 0 HDADRO CN(C)C(=O)Cn1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000466077135 1075702380 /nfs/dbraw/zinc/70/23/80/1075702380.db2.gz KZPONHDRWJLBHI-KSSFIOAISA-N 1 0 404.540 2.237 20 0 HDADRO COc1cc2nc(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)nc(N)c2cc1OC ZINC000541005219 1075702958 /nfs/dbraw/zinc/70/29/58/1075702958.db2.gz KWYDOTVKFIZEQJ-MRXNPFEDSA-N 1 0 409.490 1.830 20 0 HDADRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000543685043 1075703781 /nfs/dbraw/zinc/70/37/81/1075703781.db2.gz DQLDEUMKJSLMEZ-GOSISDBHSA-N 1 0 408.568 1.465 20 0 HDADRO COC(=O)c1ccc(CS(=O)(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000543685143 1075705298 /nfs/dbraw/zinc/70/52/98/1075705298.db2.gz CGEGODBVHVBLHN-UHFFFAOYSA-N 1 0 423.579 1.653 20 0 HDADRO CN(C)C(=O)Cn1cnc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000475865494 1075709645 /nfs/dbraw/zinc/70/96/45/1075709645.db2.gz NWTJDLXOSTWJEL-UHFFFAOYSA-N 1 0 413.526 1.742 20 0 HDADRO O=C(COC(=O)c1ccc2c(c1)C(=O)NC2=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000732340647 1075710672 /nfs/dbraw/zinc/71/06/72/1075710672.db2.gz JXDWMVJMSHNKTM-UHFFFAOYSA-N 1 0 421.453 1.639 20 0 HDADRO COc1ccc(C(=O)N2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)cc1OC ZINC000538979675 1075711489 /nfs/dbraw/zinc/71/14/89/1075711489.db2.gz SAMFQGCATZJKJU-UHFFFAOYSA-N 1 0 409.450 1.224 20 0 HDADRO C[C@H](NC(=O)N1CCN(c2nc(N)ns2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498719321 1075712743 /nfs/dbraw/zinc/71/27/43/1075712743.db2.gz UWXFBIXRGIPGLJ-RDJZCZTQSA-N 1 0 415.567 1.863 20 0 HDADRO C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471170422 1075717068 /nfs/dbraw/zinc/71/70/68/1075717068.db2.gz SSCNEKMOPVWIKV-MRXNPFEDSA-N 1 0 414.558 1.343 20 0 HDADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC1 ZINC000490385250 1075718681 /nfs/dbraw/zinc/71/86/81/1075718681.db2.gz JTAQTEBLXFEVRJ-UHFFFAOYSA-N 1 0 410.400 1.777 20 0 HDADRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000486225696 1075720506 /nfs/dbraw/zinc/72/05/06/1075720506.db2.gz LLPXMWVGUYMXKV-HNAYVOBHSA-N 1 0 409.538 1.522 20 0 HDADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000438334175 1075721605 /nfs/dbraw/zinc/72/16/05/1075721605.db2.gz WXWPCCPTDAPGEF-HDICACEKSA-N 1 0 406.575 2.093 20 0 HDADRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000509440987 1075723312 /nfs/dbraw/zinc/72/33/12/1075723312.db2.gz IGHJSTJIOBXSJK-RTBURBONSA-N 1 0 403.571 1.160 20 0 HDADRO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000509254536 1075725007 /nfs/dbraw/zinc/72/50/07/1075725007.db2.gz BKAPJVZNAYHNCC-HZPDHXFCSA-N 1 0 414.597 1.742 20 0 HDADRO Nc1nccc([C@H]2CCCN(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C2)n1 ZINC000583393398 1075726409 /nfs/dbraw/zinc/72/64/09/1075726409.db2.gz BKVVITPIKHBGEH-LBPRGKRZSA-N 1 0 404.421 1.271 20 0 HDADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)NC[C@H](O)Cc3ccccc3)cn2)CC1 ZINC000509442208 1075726745 /nfs/dbraw/zinc/72/67/45/1075726745.db2.gz ZWJTWTDWVQHZJY-GOSISDBHSA-N 1 0 412.490 1.213 20 0 HDADRO CCCn1ccnc1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000429260802 1075727242 /nfs/dbraw/zinc/72/72/42/1075727242.db2.gz OFRYCIDIDGYIHN-OAHLLOKOSA-N 1 0 407.540 1.832 20 0 HDADRO CC(C)[C@H](NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nncn1C ZINC000509255880 1075727610 /nfs/dbraw/zinc/72/76/10/1075727610.db2.gz GRHUWQWWTKLPHU-RXVVDRJESA-N 1 0 400.527 1.791 20 0 HDADRO Nc1nc(CN2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)nc2ccccc12 ZINC000485546175 1075727905 /nfs/dbraw/zinc/72/79/05/1075727905.db2.gz GBZGVNDCXWKBNJ-RBUKOAKNSA-N 1 0 409.538 1.666 20 0 HDADRO CCn1nc(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)ccc1=O ZINC000732374362 1075729485 /nfs/dbraw/zinc/72/94/85/1075729485.db2.gz KYPBKEIGBKSBKL-UHFFFAOYSA-N 1 0 412.490 1.463 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 ZINC000536108953 1075730089 /nfs/dbraw/zinc/73/00/89/1075730089.db2.gz RYNAMUYPTYVAOD-MRXNPFEDSA-N 1 0 405.886 1.717 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)n1 ZINC000426501558 1075730709 /nfs/dbraw/zinc/73/07/09/1075730709.db2.gz SRNQYBIKABBBMQ-UHFFFAOYSA-N 1 0 414.897 2.034 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000446714094 1075731282 /nfs/dbraw/zinc/73/12/82/1075731282.db2.gz DSTRVQWEPMXIIT-UHFFFAOYSA-N 1 0 409.412 2.208 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2OCC(F)F)n1 ZINC000555035014 1075733216 /nfs/dbraw/zinc/73/32/16/1075733216.db2.gz JXDQCNUTEYTDIN-UHFFFAOYSA-N 1 0 415.828 2.319 20 0 HDADRO Cn1ccnc1Sc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000576296840 1075733490 /nfs/dbraw/zinc/73/34/90/1075733490.db2.gz CBABQTCWNUJKAL-UHFFFAOYSA-N 1 0 413.507 1.907 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)n1 ZINC000526129879 1075733833 /nfs/dbraw/zinc/73/38/33/1075733833.db2.gz UJPZSNNPHJRVLP-UHFFFAOYSA-N 1 0 410.434 1.867 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000438695652 1075735719 /nfs/dbraw/zinc/73/57/19/1075735719.db2.gz GYDBIFQGACEXGY-UHFFFAOYSA-N 1 0 418.929 2.478 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 ZINC000486504731 1075736008 /nfs/dbraw/zinc/73/60/08/1075736008.db2.gz ZHGYLDSBPOBWOK-UHFFFAOYSA-N 1 0 418.449 1.669 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)n1 ZINC000566744148 1075738391 /nfs/dbraw/zinc/73/83/91/1075738391.db2.gz TYCJVCYMCQOTCI-CYBMUJFWSA-N 1 0 404.437 1.900 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)n1 ZINC000501776125 1075740097 /nfs/dbraw/zinc/74/00/97/1075740097.db2.gz NFVOFUWYTFLMOS-HNNXBMFYSA-N 1 0 419.913 1.964 20 0 HDADRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000468465736 1075741983 /nfs/dbraw/zinc/74/19/83/1075741983.db2.gz HUDZETOHHMHLAF-FQEVSTJZSA-N 1 0 420.517 1.748 20 0 HDADRO C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000732454875 1075742900 /nfs/dbraw/zinc/74/29/00/1075742900.db2.gz DVCDVXWXYFYUCK-MRXNPFEDSA-N 1 0 420.558 1.888 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000804221366 1075743191 /nfs/dbraw/zinc/74/31/91/1075743191.db2.gz KYBJOAHETGYIIX-JKSUJKDBSA-N 1 0 412.575 1.985 20 0 HDADRO COC(=O)CN1CCN(c2ccc(NC(=O)N3CCC[C@H]([NH2+]C(C)C)C3)cc2)CC1 ZINC000732433052 1075743822 /nfs/dbraw/zinc/74/38/22/1075743822.db2.gz FNOSLKDEPHMZRB-IBGZPJMESA-N 1 0 417.554 1.976 20 0 HDADRO C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509259557 1075745319 /nfs/dbraw/zinc/74/53/19/1075745319.db2.gz VNCUIFSDIUICEM-GJZGRUSLSA-N 1 0 400.570 1.494 20 0 HDADRO 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20 0 HDADRO Cn1ccnc1[C@@](O)(CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C(F)(F)F ZINC000730823926 1076662723 /nfs/dbraw/zinc/66/27/23/1076662723.db2.gz QICKEQDMROGZFH-YOEHRIQHSA-N 1 0 403.449 1.830 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCc4ccccc4[C@@H]3C(N)=O)cc2)CC1 ZINC000730809390 1076666162 /nfs/dbraw/zinc/66/61/62/1076666162.db2.gz WQQFQNJFVBWUTQ-HSZRJFAPSA-N 1 0 421.545 1.852 20 0 HDADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1 ZINC000730841121 1076670766 /nfs/dbraw/zinc/67/07/66/1076670766.db2.gz BLOKMKSIHVCBLW-INIZCTEOSA-N 1 0 419.551 1.860 20 0 HDADRO CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000730917993 1076691408 /nfs/dbraw/zinc/69/14/08/1076691408.db2.gz BAQPQCLPLFTLBJ-QGZVFWFLSA-N 1 0 423.535 1.135 20 0 HDADRO CC[N@@H+]1CC[C@@H](CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 ZINC000730936557 1076696492 /nfs/dbraw/zinc/69/64/92/1076696492.db2.gz MMASGKFRKWBNAD-HNNXBMFYSA-N 1 0 404.536 1.306 20 0 HDADRO 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ZINC000731108312 1076728762 /nfs/dbraw/zinc/72/87/62/1076728762.db2.gz KCIWEDMOKWRQBK-KRWDZBQOSA-N 1 0 403.527 1.445 20 0 HDADRO Cn1cc(/C=C/C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)c(=O)n(C)c1=O ZINC000731198829 1076751510 /nfs/dbraw/zinc/75/15/10/1076751510.db2.gz IWNNJSQMIXECCS-CMDGGOBGSA-N 1 0 418.538 1.027 20 0 HDADRO O=S(=O)(c1ccccc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1)N1CCOCC1 ZINC000480503633 1126095030 /nfs/dbraw/zinc/09/50/30/1126095030.db2.gz ZDHFCRNJPSAELZ-LJQANCHMSA-N 1 0 408.495 1.540 20 0 HDADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[NH2+]CCO[C@@H]2C1 ZINC001164389687 718822317 /nfs/dbraw/zinc/82/23/17/718822317.db2.gz JFBZONRJRNIIOG-QWHCGFSZSA-N 1 0 402.829 1.809 20 0 HDADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)cnc1Cl ZINC001164408821 718866133 /nfs/dbraw/zinc/86/61/33/718866133.db2.gz NJPGCOXTDNDMJC-WCQYABFASA-N 1 0 409.886 1.888 20 0 HDADRO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425055 718919214 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HDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(N3CCOCC3)n1)C2 ZINC001164812279 720089103 /nfs/dbraw/zinc/08/91/03/720089103.db2.gz QFDCFWNCFLAMEM-JXFKEZNVSA-N 1 0 422.961 1.546 20 0 HDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC)nc(S(C)(=O)=O)n1)C2 ZINC001164809969 720118639 /nfs/dbraw/zinc/11/86/39/720118639.db2.gz IZVCUJYXYIROSD-KXBFYZLASA-N 1 0 410.540 1.073 20 0 HDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(n1)N(C)[C@H](C)C(=O)N3)C2 ZINC001164808571 720120440 /nfs/dbraw/zinc/12/04/40/720120440.db2.gz FOFAWUBTMJDPQI-IVZHQMGZSA-N 1 0 400.527 1.438 20 0 HDADRO CCNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164807942 720137254 /nfs/dbraw/zinc/13/72/54/720137254.db2.gz CZOVGABZKMVBIN-YLJYHZDGSA-N 1 0 408.568 1.565 20 0 HDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(CN3C(=O)CCC3=O)cn1)C2 ZINC001164812524 720142672 /nfs/dbraw/zinc/14/26/72/720142672.db2.gz PBNSVUBHEVOSOT-XXBNENTESA-N 1 0 412.534 1.915 20 0 HDADRO CCN(C)c1ccnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164715080 720163466 /nfs/dbraw/zinc/16/34/66/720163466.db2.gz SNVUTKHYXKUOLU-QGZVFWFLSA-N 1 0 400.531 1.277 20 0 HDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)C2 ZINC001164819930 720171659 /nfs/dbraw/zinc/17/16/59/720171659.db2.gz YYJBGRDJLAPVSM-UWJYYQICSA-N 1 0 420.579 1.707 20 0 HDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cncc(SCC(=O)OC)n1)C2 ZINC001164817862 720180762 /nfs/dbraw/zinc/18/07/62/720180762.db2.gz QPWWGLUMTDCOHO-JXFKEZNVSA-N 1 0 406.552 1.926 20 0 HDADRO COc1cnnc(Cl)c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715966 720180769 /nfs/dbraw/zinc/18/07/69/720180769.db2.gz FUESSCMMAAADTD-AWEZNQCLSA-N 1 0 407.906 1.483 20 0 HDADRO Cn1nnc2c1CCN(c1nc3nc[nH]c3cc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719163 720187483 /nfs/dbraw/zinc/18/74/83/720187483.db2.gz SXKYARKUGNWEND-MRXNPFEDSA-N 1 0 416.917 1.956 20 0 HDADRO Cn1nnc2c1CCN(c1nc(Cl)c(F)cc1N)[C@H]2COCC[NH+]1CCCC1 ZINC001164718163 720191264 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401.511 1.565 20 0 HDADRO CC(C)OC(=O)c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164824586 720303314 /nfs/dbraw/zinc/30/33/14/720303314.db2.gz RWQLQLIVMQWFRZ-RBUKOAKNSA-N 1 0 415.538 1.953 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)c(F)cc2C(N)=O)CC1 ZINC001164822617 720306052 /nfs/dbraw/zinc/30/60/52/720306052.db2.gz NQVZFUZAVYWYBL-CVEARBPZSA-N 1 0 423.920 1.885 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)cc(C(N)=O)n2)CC1 ZINC001164826686 720310818 /nfs/dbraw/zinc/31/08/18/720310818.db2.gz WFKSDSMNYBXCHZ-LSDHHAIUSA-N 1 0 406.918 1.140 20 0 HDADRO COC(=O)Cc1cccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164818951 720314628 /nfs/dbraw/zinc/31/46/28/720314628.db2.gz BXYMYFLUNMMWNW-RTBURBONSA-N 1 0 400.523 1.709 20 0 HDADRO CCOC(=O)c1nccnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164826206 720317554 /nfs/dbraw/zinc/31/75/54/720317554.db2.gz FTBKMUOGZVKEPD-IRXDYDNUSA-N 1 0 401.511 1.565 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc(Cl)c2C(N)=O)CC1 ZINC001164828486 720325320 /nfs/dbraw/zinc/32/53/20/720325320.db2.gz JWCBFQVGCIZSHH-KGLIPLIRSA-N 1 0 406.918 1.140 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cc3c2CNC3=O)CC1 ZINC001164830900 720326332 /nfs/dbraw/zinc/32/63/32/720326332.db2.gz QKXJDQNQXLCFFU-IAGOWNOFSA-N 1 0 417.941 1.890 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccnc(N3CCOCC3)n2)CC1 ZINC001164827241 720327069 /nfs/dbraw/zinc/32/70/69/720327069.db2.gz HIJQPJVIXVBRFZ-MOPGFXCFSA-N 1 0 414.554 1.225 20 0 HDADRO CON(C)C(=O)c1cccnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827094 720330784 /nfs/dbraw/zinc/33/07/84/720330784.db2.gz GTZVAVMXNZFRBQ-OALUTQOASA-N 1 0 415.538 1.627 20 0 HDADRO CON(C)C(=O)c1cccnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827096 720331223 /nfs/dbraw/zinc/33/12/23/720331223.db2.gz GTZVAVMXNZFRBQ-RBUKOAKNSA-N 1 0 415.538 1.627 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2c(Cl)nccc2C(N)=O)CC1 ZINC001164828011 720351150 /nfs/dbraw/zinc/35/11/50/720351150.db2.gz NZUOOMJGUBCVPE-JKSUJKDBSA-N 1 0 405.930 1.745 20 0 HDADRO CN(C)c1cc[nH+]c(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)c1 ZINC001164825605 720451163 /nfs/dbraw/zinc/45/11/63/720451163.db2.gz SOWGPANSVMNSRI-QGZVFWFLSA-N 1 0 400.527 1.334 20 0 HDADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3scnc3c(N3CCOCC3)n2)C1 ZINC001164732299 720511053 /nfs/dbraw/zinc/51/10/53/720511053.db2.gz URIJAUWPKGCNQJ-CQSZACIVSA-N 1 0 414.539 1.317 20 0 HDADRO CC(C)[N@@H+]1[C@@H](Cn2cccn2)C[C@H]2CN(c3ncc4c(n3)N(C)[C@H](C)C(=O)N4)CC[C@H]21 ZINC001164840709 720549552 /nfs/dbraw/zinc/54/95/52/720549552.db2.gz SQBDZKDQKQWTTP-SFNKJDCFSA-N 1 0 424.553 1.828 20 0 HDADRO CCOC(=O)c1nnc(SC)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164732706 720557669 /nfs/dbraw/zinc/55/76/69/720557669.db2.gz FETDQAVKZWZFBZ-UHFFFAOYSA-N 1 0 417.539 1.625 20 0 HDADRO NS(=O)(=O)c1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)c1 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O=C(NC[C@@H]1OC[C@H]2CCN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]12)c1ccno1 ZINC001164855621 720912357 /nfs/dbraw/zinc/91/23/57/720912357.db2.gz IXOAWYWJRBEBRS-GGPKGHCWSA-N 1 0 411.506 1.937 20 0 HDADRO Cc1c[nH]c2nc(Cl)nc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c12 ZINC001164751553 720951494 /nfs/dbraw/zinc/95/14/94/720951494.db2.gz TVVMFVSIDGHINO-UHFFFAOYSA-N 1 0 403.874 1.762 20 0 HDADRO COC(=O)c1nc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)ccc1Cl ZINC001164749563 720954206 /nfs/dbraw/zinc/95/42/06/720954206.db2.gz GFQQSFXYNRYOMN-UHFFFAOYSA-N 1 0 407.858 1.364 20 0 HDADRO CCOC(=O)/C=C/c1ccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1 ZINC001164750019 720959469 /nfs/dbraw/zinc/95/94/69/720959469.db2.gz JBUAMDZVBBULCP-SOFGYWHQSA-N 1 0 413.478 1.500 20 0 HDADRO CSc1nc2ncnc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)c2s1 ZINC001164750086 720959989 /nfs/dbraw/zinc/95/99/89/720959989.db2.gz JVLREKBTBAKFJG-UHFFFAOYSA-N 1 0 419.536 1.650 20 0 HDADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164752481 720960630 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1.999 20 0 HDADRO CCOC(=O)c1nc2ccn(C)c2c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164767618 721182108 /nfs/dbraw/zinc/18/21/08/721182108.db2.gz KEOHYEMPSRRQQC-SJORKVTESA-N 1 0 423.521 1.837 20 0 HDADRO CCNS(=O)(=O)c1ccc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164771513 721196479 /nfs/dbraw/zinc/19/64/79/721196479.db2.gz QTEIFEGWGVKETG-SJORKVTESA-N 1 0 404.540 1.072 20 0 HDADRO CC(C)NS(=O)(=O)c1ccc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164764049 721197279 /nfs/dbraw/zinc/19/72/79/721197279.db2.gz GCXAWGJJEYMPLE-MSOLQXFVSA-N 1 0 418.567 1.460 20 0 HDADRO Cc1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1NCC1CC1 ZINC001164876074 721260578 /nfs/dbraw/zinc/26/05/78/721260578.db2.gz NNJPRDMHDCLKAS-UHFFFAOYSA-N 1 0 416.570 1.614 20 0 HDADRO Cc1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1N1CCCC1 ZINC001164874209 721261036 /nfs/dbraw/zinc/26/10/36/721261036.db2.gz JOSAPQLGUFYPML-UHFFFAOYSA-N 1 0 416.570 1.392 20 0 HDADRO COc1ccc2cnc(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)nc2c1 ZINC001164868992 721268051 /nfs/dbraw/zinc/26/80/51/721268051.db2.gz IOTBPMHXDKAEKS-UHFFFAOYSA-N 1 0 413.522 1.645 20 0 HDADRO CCN(CC)c1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)ncn1 ZINC001164873284 721280476 /nfs/dbraw/zinc/28/04/76/721280476.db2.gz KNCSSOVYNGGZQA-UHFFFAOYSA-N 1 0 404.559 1.330 20 0 HDADRO CCCNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164872906 721285627 /nfs/dbraw/zinc/28/56/27/721285627.db2.gz IBPHMSHOGRWIEQ-UHFFFAOYSA-N 1 0 417.554 1.228 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN([C@H](F)Oc3ccc(Cl)nn3)CC2)C1 ZINC001164874904 721292929 /nfs/dbraw/zinc/29/29/29/721292929.db2.gz DYNMTDDOQSYYQO-KRWDZBQOSA-N 1 0 415.897 1.265 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)nn2)CC1 ZINC001164878983 721310732 /nfs/dbraw/zinc/31/07/32/721310732.db2.gz MFILRSBIGWQDNP-GUDVDZBRSA-N 1 0 410.522 1.686 20 0 HDADRO O=C(COC[C@@]12COC[C@H]1CN(c1ccc(C[NH+]3CCCC3)cn1)C2)N1CCCC1 ZINC001164882531 721337392 /nfs/dbraw/zinc/33/73/92/721337392.db2.gz FWDBIKCMTVESGP-NFBKMPQASA-N 1 0 414.550 1.769 20 0 HDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4OCC(=O)N(c5cccc(F)c5)[C@H]4C3)n2)CC1 ZINC001164885707 721364928 /nfs/dbraw/zinc/36/49/28/721364928.db2.gz YOFJYDONSRTHAU-OALUTQOASA-N 1 0 411.481 1.593 20 0 HDADRO COC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164892281 721383250 /nfs/dbraw/zinc/38/32/50/721383250.db2.gz SRGQUSBVNVDCKC-QRWLVFNGSA-N 1 0 423.945 1.682 20 0 HDADRO COC(=O)c1cc(C)nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164894562 721383378 /nfs/dbraw/zinc/38/33/78/721383378.db2.gz ZBEIAYCEBMRSCO-DENIHFKCSA-N 1 0 402.539 1.942 20 0 HDADRO COc1cnc(SC)nc1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164894641 721386355 /nfs/dbraw/zinc/38/63/55/721386355.db2.gz ZPIKSRUCOUUDMU-OXJNMPFZSA-N 1 0 407.584 1.973 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4[nH]c5cc(=O)[nH]c-5cc4Cl)C3)O2)CC1 ZINC001164891347 721414310 /nfs/dbraw/zinc/41/43/10/721414310.db2.gz VKJCIUPGEGFONA-QVKFZJNVSA-N 1 0 419.957 1.995 20 0 HDADRO CNC(=O)c1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ccc1Cl ZINC001164889799 721420277 /nfs/dbraw/zinc/42/02/77/721420277.db2.gz RMFKXUGQVLOENN-IERDGZPVSA-N 1 0 421.973 1.860 20 0 HDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4[nH+][n-]c(Cl)c5ncnc4-5)C3)O2)CC1 ZINC001164890489 721422156 /nfs/dbraw/zinc/42/21/56/721422156.db2.gz STWLCSJRFJIMGY-LIRRHRJNSA-N 1 0 405.934 1.772 20 0 HDADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccnc(-n5ccccc5=O)n4)C3)O2)CC1 ZINC001164896874 721438826 /nfs/dbraw/zinc/43/88/26/721438826.db2.gz SHYNGFKZIZKRQY-CVDCTZTESA-N 1 0 424.549 1.393 20 0 HDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@]4(COc4ncccc4F)C3)n2)CC1 ZINC001164791694 721487167 /nfs/dbraw/zinc/48/71/67/721487167.db2.gz DUFTYYSNQLOSFV-VGSWGCGISA-N 1 0 413.497 1.899 20 0 HDADRO COC(=O)c1c(Cl)ccnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164796645 721509724 /nfs/dbraw/zinc/50/97/24/721509724.db2.gz 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C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)CC2)C1 ZINC000675111851 1074724436 /nfs/dbraw/zinc/72/44/36/1074724436.db2.gz IHTKEGREFTZZPY-SJORKVTESA-N 1 0 406.962 1.735 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CCN(c4ncccc4Cl)C3)CC2)C1 ZINC000675111848 1074724468 /nfs/dbraw/zinc/72/44/68/1074724468.db2.gz IHTKEGREFTZZPY-DLBZAZTESA-N 1 0 406.962 1.735 20 0 HDADRO COC(=O)CCc1nnc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000462662172 1074727387 /nfs/dbraw/zinc/72/73/87/1074727387.db2.gz NNRSWRUKSBXMTC-DZGCQCFKSA-N 1 0 403.508 2.286 20 0 HDADRO CN1CCN(C(=O)c2cc(NC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)ccn2)CC1 ZINC000543614313 1074729793 /nfs/dbraw/zinc/72/97/93/1074729793.db2.gz DUMJIKCGNPHZET-SFHVURJKSA-N 1 0 414.554 1.665 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1 ZINC000477031246 1074729814 /nfs/dbraw/zinc/72/98/14/1074729814.db2.gz XGLYUEXEYMQUSW-AWEZNQCLSA-N 1 0 406.918 1.692 20 0 HDADRO CC(C)n1cnnc1-c1ccccc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000578851869 1074733299 /nfs/dbraw/zinc/73/32/99/1074733299.db2.gz YVIBRRMJBNSGDI-UHFFFAOYSA-N 1 0 410.482 1.861 20 0 HDADRO O=C1c2ccc(Br)cc2C(=O)N1CN1CC[NH+](C2CCOCC2)CC1 ZINC000766094866 1074745449 /nfs/dbraw/zinc/74/54/49/1074745449.db2.gz MIEVAZMYUNFMBG-UHFFFAOYSA-N 1 0 408.296 1.799 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000675188733 1074751611 /nfs/dbraw/zinc/75/16/11/1074751611.db2.gz QBBCKCSHZBTNGG-HXUWFJFHSA-N 1 0 407.603 1.885 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nn1-c1ccc(C)cc1 ZINC000539431722 1074754492 /nfs/dbraw/zinc/75/44/92/1074754492.db2.gz VZWLAFYIVRLXAU-LJQANCHMSA-N 1 0 413.522 1.901 20 0 HDADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)nn1C1CCCCC1 ZINC000578823118 1074763734 /nfs/dbraw/zinc/76/37/34/1074763734.db2.gz ICJNVIXNJGUHAF-INIZCTEOSA-N 1 0 404.559 1.777 20 0 HDADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCc3c(F)cc(Br)cc3C2)CC1=O ZINC000675237551 1074768997 /nfs/dbraw/zinc/76/89/97/1074768997.db2.gz GAMUPHLACACQRY-ZDUSSCGKSA-N 1 0 412.303 1.883 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC[C@@H]21 ZINC000766100339 1074770062 /nfs/dbraw/zinc/77/00/62/1074770062.db2.gz ZXQIXSUTIUZWLG-FNXXIHLHSA-N 1 0 402.470 1.535 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000429325698 1074771424 /nfs/dbraw/zinc/77/14/24/1074771424.db2.gz JBFCXFXJGZVCMI-GOSISDBHSA-N 1 0 423.602 1.656 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CC(C)(C)O4)CC2)C1 ZINC000675263330 1074774086 /nfs/dbraw/zinc/77/40/86/1074774086.db2.gz FCUVYIDFDXUTEI-GOSISDBHSA-N 1 0 400.523 1.577 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000477064510 1074774790 /nfs/dbraw/zinc/77/47/90/1074774790.db2.gz KGRLXONVMUXSID-HNNXBMFYSA-N 1 0 406.502 1.393 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000477066260 1074775763 /nfs/dbraw/zinc/77/57/63/1074775763.db2.gz MAPKBEKGDVYTFS-OAHLLOKOSA-N 1 0 408.930 1.357 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000477067900 1074779064 /nfs/dbraw/zinc/77/90/64/1074779064.db2.gz OGCGQTHFZDONIQ-QUCCMNQESA-N 1 0 404.555 1.331 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000477070345 1074779338 /nfs/dbraw/zinc/77/93/38/1074779338.db2.gz SIQWGMSMYVPKNY-INIZCTEOSA-N 1 0 424.973 1.839 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 ZINC000675290921 1074782045 /nfs/dbraw/zinc/78/20/45/1074782045.db2.gz FHORCWHLIYRHBK-QZTJIDSGSA-N 1 0 404.486 1.032 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000477083857 1074790058 /nfs/dbraw/zinc/79/00/58/1074790058.db2.gz QBOSCKOULREIRE-AWEZNQCLSA-N 1 0 404.540 1.186 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000675296229 1074790409 /nfs/dbraw/zinc/79/04/09/1074790409.db2.gz AQHCWRUHBFWKSN-CJNGLKHVSA-N 1 0 408.449 1.175 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000477088182 1074790807 /nfs/dbraw/zinc/79/08/07/1074790807.db2.gz YAFLDLVWCCZHDS-CQSZACIVSA-N 1 0 410.465 1.096 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000477097123 1074792257 /nfs/dbraw/zinc/79/22/57/1074792257.db2.gz IMFAJCDUJBXWAP-QGZVFWFLSA-N 1 0 420.529 1.276 20 0 HDADRO CCC(CC)c1nnc(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)s1 ZINC000472771172 1074796424 /nfs/dbraw/zinc/79/64/24/1074796424.db2.gz KNABICKCAPJMFH-UHFFFAOYSA-N 1 0 408.532 1.960 20 0 HDADRO Cc1cc(NC(=O)C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000555276480 1074796850 /nfs/dbraw/zinc/79/68/50/1074796850.db2.gz YAABQRSFOGUFGN-KRWDZBQOSA-N 1 0 407.478 1.949 20 0 HDADRO C[C@@]1(c2ccccc2)CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC000675310303 1074800505 /nfs/dbraw/zinc/80/05/05/1074800505.db2.gz TZELIWYAMDAKBI-IRLDBZIGSA-N 1 0 402.539 1.350 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000477103231 1074801778 /nfs/dbraw/zinc/80/17/78/1074801778.db2.gz VBPAAXHWGJQTPL-LSDHHAIUSA-N 1 0 423.945 1.759 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000477106956 1074803842 /nfs/dbraw/zinc/80/38/42/1074803842.db2.gz LYTCDJZRTDYBKC-KRWDZBQOSA-N 1 0 402.539 1.562 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC3(CC2)OCc2ccccc23)C1 ZINC000675325857 1074807498 /nfs/dbraw/zinc/80/74/98/1074807498.db2.gz SHYVUNXCKHVXGS-HXUWFJFHSA-N 1 0 401.551 1.981 20 0 HDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675326778 1074807941 /nfs/dbraw/zinc/80/79/41/1074807941.db2.gz ZXKICLDEIXIXQK-OAUYIBNBSA-N 1 0 404.898 1.160 20 0 HDADRO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)c3cccn4c(=O)[nH]nc34)cc2)CC1 ZINC000509321739 1074808288 /nfs/dbraw/zinc/80/82/88/1074808288.db2.gz LEDCMMCMQGRTAV-UHFFFAOYSA-N 1 0 408.462 1.427 20 0 HDADRO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1S(=O)(=O)N1CCOCC1 ZINC001128983252 1074808420 /nfs/dbraw/zinc/80/84/20/1074808420.db2.gz WQOJPEMZUQTQLU-AYHJJNSGSA-N 1 0 407.536 1.371 20 0 HDADRO CCOc1ccc(CCNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1OCC ZINC000670502203 1074816392 /nfs/dbraw/zinc/81/63/92/1074816392.db2.gz YFWDWROBPWIMGW-MRXNPFEDSA-N 1 0 405.539 1.989 20 0 HDADRO C[C@H](NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000670503191 1074816975 /nfs/dbraw/zinc/81/69/75/1074816975.db2.gz RWJHINYLIROOTE-OXJNMPFZSA-N 1 0 406.490 1.864 20 0 HDADRO C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000670503193 1074817047 /nfs/dbraw/zinc/81/70/47/1074817047.db2.gz RWJHINYLIROOTE-UZLBHIALSA-N 1 0 406.490 1.864 20 0 HDADRO C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001005591731 1074819677 /nfs/dbraw/zinc/81/96/77/1074819677.db2.gz JKZNULJCCBENLT-IEHFGQBSSA-N 1 0 402.495 1.105 20 0 HDADRO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429333373 1074819713 /nfs/dbraw/zinc/81/97/13/1074819713.db2.gz YTAXDWBRRSJGAZ-ZWKOTPCHSA-N 1 0 411.568 1.358 20 0 HDADRO Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C[NH+](C)C)cc3)CC2)no1 ZINC000432862166 1074821817 /nfs/dbraw/zinc/82/18/17/1074821817.db2.gz YLPVXXDERFVRME-UHFFFAOYSA-N 1 0 406.508 2.084 20 0 HDADRO CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000675367967 1074822089 /nfs/dbraw/zinc/82/20/89/1074822089.db2.gz GOIRDTCNULOQAA-ZDUSSCGKSA-N 1 0 401.294 1.235 20 0 HDADRO COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000559631462 1075092382 /nfs/dbraw/zinc/09/23/82/1075092382.db2.gz LWDMHNPDKDIIPG-UHFFFAOYSA-N 1 0 419.869 2.167 20 0 HDADRO COC(=O)C(C)(C)N1CCN(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC1 ZINC000429332864 1075097122 /nfs/dbraw/zinc/09/71/22/1075097122.db2.gz YCJJTZKJCZVQTC-UHFFFAOYSA-N 1 0 406.531 1.559 20 0 HDADRO Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429337300 1075102664 /nfs/dbraw/zinc/10/26/64/1075102664.db2.gz XWZQMULDEKKPJR-SFHVURJKSA-N 1 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CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675403213 1075127162 /nfs/dbraw/zinc/12/71/62/1075127162.db2.gz CARYXPFQRNGJNC-SUMWQHHRSA-N 1 0 424.904 1.691 20 0 HDADRO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000675404852 1075129614 /nfs/dbraw/zinc/12/96/14/1075129614.db2.gz VIALUVQGTIKBBP-ICSRJNTNSA-N 1 0 424.549 1.669 20 0 HDADRO COCC1(CNc2cc(NCC3(COC)CCOCC3)[nH+]c(C)n2)CCOCC1 ZINC000555542027 1075132142 /nfs/dbraw/zinc/13/21/42/1075132142.db2.gz DYWFAJJVMHTSNE-UHFFFAOYSA-N 1 0 408.543 2.495 20 0 HDADRO CC[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1=O ZINC000429345346 1075145197 /nfs/dbraw/zinc/14/51/97/1075145197.db2.gz CNBNTELRQQOLCY-UTKZUKDTSA-N 1 0 402.495 1.114 20 0 HDADRO COc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2CCCOC2)[NH+]2CCCCC2)cc1 ZINC000670527154 1075151480 /nfs/dbraw/zinc/15/14/80/1075151480.db2.gz ICHDEFZMRJPTBU-FXAWDEMLSA-N 1 0 403.523 1.881 20 0 HDADRO COCCCn1ccc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000494098760 1075156597 /nfs/dbraw/zinc/15/65/97/1075156597.db2.gz OSACJHJQJBKDIP-RTBURBONSA-N 1 0 401.511 1.924 20 0 HDADRO O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000675457937 1075156864 /nfs/dbraw/zinc/15/68/64/1075156864.db2.gz AGVOUXQAWKEUDM-KRWDZBQOSA-N 1 0 422.888 1.444 20 0 HDADRO C[C@@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1cccc(-n2cccn2)c1 ZINC000466679472 1075157753 /nfs/dbraw/zinc/15/77/53/1075157753.db2.gz AHVNWVQRNRLPLQ-GOSISDBHSA-N 1 0 410.522 1.883 20 0 HDADRO O=C(NCCn1c(=O)[nH]c2ccccc21)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000429348405 1075160073 /nfs/dbraw/zinc/16/00/73/1075160073.db2.gz JSSMICQWHFHXCV-RBUKOAKNSA-N 1 0 423.517 1.924 20 0 HDADRO CCC[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1nnc2ccccn21 ZINC000507144803 1075160479 /nfs/dbraw/zinc/16/04/79/1075160479.db2.gz RZZWLPNLRBFKMV-HNNXBMFYSA-N 1 0 404.434 1.906 20 0 HDADRO 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ZINC000675467474 1075166564 /nfs/dbraw/zinc/16/65/64/1075166564.db2.gz WXLDEJMKBBSOFJ-MRXNPFEDSA-N 1 0 421.611 1.941 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c2ccccc2O1 ZINC000675489797 1075174983 /nfs/dbraw/zinc/17/49/83/1075174983.db2.gz JIRFDLAQDNYHDP-INIZCTEOSA-N 1 0 405.458 1.941 20 0 HDADRO Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000675496922 1075177383 /nfs/dbraw/zinc/17/73/83/1075177383.db2.gz YMTIXTIPIAHLPV-QGZVFWFLSA-N 1 0 417.489 1.235 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000675497431 1075178913 /nfs/dbraw/zinc/17/89/13/1075178913.db2.gz HNXFDYKCVNSJNX-GOSISDBHSA-N 1 0 409.469 1.946 20 0 HDADRO CCCc1nnc(NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000557064366 1075179656 /nfs/dbraw/zinc/17/96/56/1075179656.db2.gz AQNSHOMUVKDPLV-UHFFFAOYSA-N 1 0 404.544 2.005 20 0 HDADRO C[C@@H](NC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000675499603 1075180436 /nfs/dbraw/zinc/18/04/36/1075180436.db2.gz NWTORRRONJSJPL-HZPDHXFCSA-N 1 0 417.535 1.117 20 0 HDADRO CC(C)CCNC(=O)C1CCN(C(=O)CN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000675499933 1075180457 /nfs/dbraw/zinc/18/04/57/1075180457.db2.gz KAQBFHZQEZEBNS-UHFFFAOYSA-N 1 0 401.555 1.605 20 0 HDADRO Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000509345620 1075182794 /nfs/dbraw/zinc/18/27/94/1075182794.db2.gz RBCWGKAOVHPHLZ-UHFFFAOYSA-N 1 0 408.549 1.704 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccnc2-n2cccn2)C[N@@H+]1Cc1ccccc1 ZINC000466683942 1075183171 /nfs/dbraw/zinc/18/31/71/1075183171.db2.gz PTGZJKMXGAOLBM-FUHWJXTLSA-N 1 0 404.474 1.985 20 0 HDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccnc2-n2cccn2)C[N@@H+]1Cc1ccccc1 ZINC000466683944 1075183247 /nfs/dbraw/zinc/18/32/47/1075183247.db2.gz PTGZJKMXGAOLBM-WMZOPIPTSA-N 1 0 404.474 1.985 20 0 HDADRO Cc1nnc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)C2)[nH]1 ZINC000675517679 1075183983 /nfs/dbraw/zinc/18/39/83/1075183983.db2.gz IBDSTDOWHCEDJT-MRXNPFEDSA-N 1 0 414.510 1.788 20 0 HDADRO O=C(Nc1ccn(CCN2CCOCC2)n1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443937677 1075186137 /nfs/dbraw/zinc/18/61/37/1075186137.db2.gz NIYYDMFURNDKPD-UHFFFAOYSA-N 1 0 418.586 2.335 20 0 HDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(S(C)(=O)=O)CC1 ZINC000675504798 1075186919 /nfs/dbraw/zinc/18/69/19/1075186919.db2.gz ORSRBWODOKRYDD-KRWDZBQOSA-N 1 0 407.580 1.665 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000675511039 1075189718 /nfs/dbraw/zinc/18/97/18/1075189718.db2.gz AMIVSBGGODBGCL-INIZCTEOSA-N 1 0 403.504 1.711 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)c2ccccc2O1 ZINC000675511441 1075189732 /nfs/dbraw/zinc/18/97/32/1075189732.db2.gz IILCDMFHNNBYKW-KRWDZBQOSA-N 1 0 403.504 1.956 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)c2ccccc2O1 ZINC000675511442 1075189790 /nfs/dbraw/zinc/18/97/90/1075189790.db2.gz IILCDMFHNNBYKW-QGZVFWFLSA-N 1 0 403.504 1.956 20 0 HDADRO CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1 ZINC000675512232 1075190413 /nfs/dbraw/zinc/19/04/13/1075190413.db2.gz JIQBJTHVROHTEC-INIZCTEOSA-N 1 0 403.504 1.954 20 0 HDADRO CC(C)C[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000675537448 1075193823 /nfs/dbraw/zinc/19/38/23/1075193823.db2.gz AEHBMUNCQGDVHR-VNTMZGSJSA-N 1 0 417.550 1.722 20 0 HDADRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1noc(-c2ccccc2)n1 ZINC000675537267 1075193915 /nfs/dbraw/zinc/19/39/15/1075193915.db2.gz OSOLOCCNPPWKLD-AEFFLSMTSA-N 1 0 414.510 1.503 20 0 HDADRO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC1CC[NH+]([C@H]3CCOC3)CC1)C2=O ZINC000675537182 1075194224 /nfs/dbraw/zinc/19/42/24/1075194224.db2.gz YKQSRFFOBIMIEZ-ULYRPOKDSA-N 1 0 420.554 1.493 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000675537467 1075194603 /nfs/dbraw/zinc/19/46/03/1075194603.db2.gz AWNVHDQUDGUSIO-QAPCUYQASA-N 1 0 415.490 1.180 20 0 HDADRO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000675538044 1075194975 /nfs/dbraw/zinc/19/49/75/1075194975.db2.gz PZQUUNUASKNUOH-UTKZUKDTSA-N 1 0 404.530 1.706 20 0 HDADRO CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000675538093 1075195210 /nfs/dbraw/zinc/19/52/10/1075195210.db2.gz COFNPQWLIYVSFZ-SFHVURJKSA-N 1 0 409.552 1.699 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000675539171 1075195657 /nfs/dbraw/zinc/19/56/57/1075195657.db2.gz YGJORYAPJFNUPY-IEBWSBKVSA-N 1 0 421.563 1.457 20 0 HDADRO O=C(CCNS(=O)(=O)c1ccccc1Cl)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675539103 1075196020 /nfs/dbraw/zinc/19/60/20/1075196020.db2.gz UWVCZASQKWVUOK-HNNXBMFYSA-N 1 0 415.943 1.378 20 0 HDADRO CCO[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2C)C1 ZINC000675540715 1075197317 /nfs/dbraw/zinc/19/73/17/1075197317.db2.gz GCKXGWJJSCXKEE-KRWDZBQOSA-N 1 0 411.568 1.866 20 0 HDADRO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675541680 1075198175 /nfs/dbraw/zinc/19/81/75/1075198175.db2.gz ZYINOHXIPMKZLY-OALUTQOASA-N 1 0 402.474 1.274 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000566726510 1075199282 /nfs/dbraw/zinc/19/92/82/1075199282.db2.gz FLTXJBKPRNJRMB-UHFFFAOYSA-N 1 0 422.327 2.421 20 0 HDADRO O=C(NCCn1c(=O)[nH]c2ccccc21)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000429357863 1075199775 /nfs/dbraw/zinc/19/97/75/1075199775.db2.gz XNHPUQXHABXWCC-QFIPXVFZSA-N 1 0 409.490 1.678 20 0 HDADRO CC[NH+](CC)CCOc1ccccc1NC(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000446027872 1075200828 /nfs/dbraw/zinc/20/08/28/1075200828.db2.gz GOFMONLXCDURGW-UHFFFAOYSA-N 1 0 402.499 2.302 20 0 HDADRO C[NH+]1CCN(c2cc(CNC(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)ccn2)CC1 ZINC000675559390 1075202690 /nfs/dbraw/zinc/20/26/90/1075202690.db2.gz DNKRVQOUSJHLFK-LJQANCHMSA-N 1 0 414.554 1.424 20 0 HDADRO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)no1 ZINC000497380498 1075202760 /nfs/dbraw/zinc/20/27/60/1075202760.db2.gz 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404.555 1.227 20 0 HDADRO CN(C(=O)NCc1cc(S(N)(=O)=O)ccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675576400 1075209715 /nfs/dbraw/zinc/20/97/15/1075209715.db2.gz KYOOOPNZRIAUFO-KRWDZBQOSA-N 1 0 420.510 1.889 20 0 HDADRO Cc1cccc(C)c1OC[C@@H](O)CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000675580489 1075211043 /nfs/dbraw/zinc/21/10/43/1075211043.db2.gz URGFJRZMFJDPSN-FQEVSTJZSA-N 1 0 412.534 1.767 20 0 HDADRO COC(=O)c1cc(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)ccn1 ZINC000429361754 1075211806 /nfs/dbraw/zinc/21/18/06/1075211806.db2.gz FRLLBNXTXFMWKS-UHFFFAOYSA-N 1 0 410.474 1.624 20 0 HDADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(CC3CC3)c2)[NH+](C)C)cc1OC ZINC000675585465 1075213473 /nfs/dbraw/zinc/21/34/73/1075213473.db2.gz YVOFGANHRBFGRC-KRWDZBQOSA-N 1 0 415.494 1.668 20 0 HDADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675585398 1075213688 /nfs/dbraw/zinc/21/36/88/1075213688.db2.gz IKMUVEGEUKIAGF-FQEVSTJZSA-N 1 0 411.506 1.913 20 0 HDADRO O=C(Nc1cnn(C[C@H]2CCCO2)c1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000675586438 1075214877 /nfs/dbraw/zinc/21/48/77/1075214877.db2.gz RDLPSCXLICZUGS-WOJBJXKFSA-N 1 0 411.506 1.954 20 0 HDADRO O=C(Nc1nnc2ccccn21)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000572551855 1075215900 /nfs/dbraw/zinc/21/59/00/1075215900.db2.gz QTIKWHAEMYWSIY-IBGZPJMESA-N 1 0 405.506 2.153 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000466690111 1075222923 /nfs/dbraw/zinc/22/29/23/1075222923.db2.gz OTIITXYHKQCIAD-GOSISDBHSA-N 1 0 406.600 1.923 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)n(-c2ccc(F)cc2F)n1 ZINC000562894769 1075226855 /nfs/dbraw/zinc/22/68/55/1075226855.db2.gz FMHUXFPAGAYQRF-OAHLLOKOSA-N 1 0 405.449 2.388 20 0 HDADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675591568 1075230429 /nfs/dbraw/zinc/23/04/29/1075230429.db2.gz KHPMTOKTKBFMLF-SFHVURJKSA-N 1 0 415.494 1.257 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNc3ccc(S(=O)(=O)NC)cn3)cc2)CC1 ZINC000486966462 1075232877 /nfs/dbraw/zinc/23/28/77/1075232877.db2.gz LMBAEEVTXJPYMC-UHFFFAOYSA-N 1 0 403.552 1.739 20 0 HDADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000675595556 1075233680 /nfs/dbraw/zinc/23/36/80/1075233680.db2.gz VLFJRDQWBIEVAI-SOLBZPMBSA-N 1 0 405.543 1.873 20 0 HDADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Nc2ccn(CC(N)=O)n2)CC1 ZINC000446029335 1075234536 /nfs/dbraw/zinc/23/45/36/1075234536.db2.gz RYQKUVCKECBSRT-UHFFFAOYSA-N 1 0 405.890 1.808 20 0 HDADRO CCCCNC(=O)C1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CCCCC1 ZINC000470195153 1075238275 /nfs/dbraw/zinc/23/82/75/1075238275.db2.gz NUPSDJDGWQRNRM-UHFFFAOYSA-N 1 0 424.567 1.790 20 0 HDADRO C[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000429365871 1075240648 /nfs/dbraw/zinc/24/06/48/1075240648.db2.gz KEDWPLUIGUXFCK-MRXNPFEDSA-N 1 0 408.568 1.682 20 0 HDADRO COC[C@@]1(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)OCCc2ccccc21 ZINC000583662725 1075242171 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20 0 HDADRO O=C(C[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1)N1CCNC(=O)C1 ZINC000429380736 1075273752 /nfs/dbraw/zinc/27/37/52/1075273752.db2.gz VCPYLZNNIGEEBP-PXNSSMCTSA-N 1 0 413.449 1.125 20 0 HDADRO C[C@@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1cccc(-n2cnnn2)c1 ZINC000675813953 1075275719 /nfs/dbraw/zinc/27/57/19/1075275719.db2.gz STPIRGASXOBLDQ-OAHLLOKOSA-N 1 0 406.494 1.610 20 0 HDADRO COc1ccc([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1Br ZINC000675816921 1075276358 /nfs/dbraw/zinc/27/63/58/1075276358.db2.gz HMEHXGYUZFYUOX-CYBMUJFWSA-N 1 0 420.373 1.686 20 0 HDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)C[N@@H+]1Cc1ccccc1 ZINC000466701867 1075282234 /nfs/dbraw/zinc/28/22/34/1075282234.db2.gz GZHOKAOGWSLYGU-YOEHRIQHSA-N 1 0 408.458 1.735 20 0 HDADRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543649181 1075282528 /nfs/dbraw/zinc/28/25/28/1075282528.db2.gz QVJMAIUXMRRUIR-UHFFFAOYSA-N 1 0 412.556 1.831 20 0 HDADRO 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C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000675937482 1075298857 /nfs/dbraw/zinc/29/88/57/1075298857.db2.gz OBSJYHVNNUDGIK-LJQANCHMSA-N 1 0 416.522 1.615 20 0 HDADRO C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC000675938760 1075299679 /nfs/dbraw/zinc/29/96/79/1075299679.db2.gz QQINNIGECLMART-LJQANCHMSA-N 1 0 400.523 1.779 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 ZINC000675929982 1075306611 /nfs/dbraw/zinc/30/66/11/1075306611.db2.gz HOXSSEMLGNZZNE-SFHVURJKSA-N 1 0 402.495 1.225 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2noc(-c3cccs3)n2)CC1 ZINC000675967249 1075311439 /nfs/dbraw/zinc/31/14/39/1075311439.db2.gz CZKAIFYIALNFTH-ZDUSSCGKSA-N 1 0 404.496 1.246 20 0 HDADRO CS(=O)(=O)NC1(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000675954301 1075313496 /nfs/dbraw/zinc/31/34/96/1075313496.db2.gz YKNBHIHWCBAFIH-UHFFFAOYSA-N 1 0 400.589 1.898 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)N2CCN(c3nc(N)ns3)CC2)cc1 ZINC000675952207 1075313556 /nfs/dbraw/zinc/31/35/56/1075313556.db2.gz WGQXIIVYVBJCIK-UHFFFAOYSA-N 1 0 405.528 1.805 20 0 HDADRO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)CCO2 ZINC000675989015 1075315596 /nfs/dbraw/zinc/31/55/96/1075315596.db2.gz FRMHIVBQAVGVJJ-JNAXZKDPSA-N 1 0 409.914 1.465 20 0 HDADRO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)CCO2 ZINC000675989017 1075315616 /nfs/dbraw/zinc/31/56/16/1075315616.db2.gz FRMHIVBQAVGVJJ-NQYLQCIDSA-N 1 0 409.914 1.465 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ccc3c(C=O)n[nH]c3c2)C1 ZINC000766191007 1075324236 /nfs/dbraw/zinc/32/42/36/1075324236.db2.gz XIWQBDQFWUSCIR-OAHLLOKOSA-N 1 0 402.451 1.005 20 0 HDADRO Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000676017646 1075325409 /nfs/dbraw/zinc/32/54/09/1075325409.db2.gz VJNZQGWQVKXNCZ-HOTGVXAUSA-N 1 0 404.902 1.551 20 0 HDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000731401002 1075330028 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CPXQNXYSGXAVPZ-NRFANRHFSA-N 1 0 417.550 1.519 20 0 HDADRO Cc1c(C(=O)N2CCS[C@H]3COCC[C@H]32)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000676072613 1075342987 /nfs/dbraw/zinc/34/29/87/1075342987.db2.gz NFTFUZBDKVTPEG-MOPGFXCFSA-N 1 0 413.547 1.910 20 0 HDADRO Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000676075688 1075343330 /nfs/dbraw/zinc/34/33/30/1075343330.db2.gz JYKFUTFJMQSKFB-FPOVZHCZSA-N 1 0 424.611 1.619 20 0 HDADRO CNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1 ZINC000466711846 1075346817 /nfs/dbraw/zinc/34/68/17/1075346817.db2.gz DUHMOYOJQUKMTB-VQIMIIECSA-N 1 0 424.501 1.529 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCOc2cccc(Cl)c2Cl)cn1 ZINC000676092544 1075351744 /nfs/dbraw/zinc/35/17/44/1075351744.db2.gz LLXRCRSLNDFEIA-UHFFFAOYSA-N 1 0 414.293 1.885 20 0 HDADRO COC(=O)[C@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@H](C(=O)OC)C1 ZINC000509381775 1075352189 /nfs/dbraw/zinc/35/21/89/1075352189.db2.gz ZGWSTUDWJVBDBV-OALUTQOASA-N 1 0 417.506 1.001 20 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ZINC000676094160 1075357048 /nfs/dbraw/zinc/35/70/48/1075357048.db2.gz RRIBPKZAEODXHG-JKSUJKDBSA-N 1 0 412.494 1.749 20 0 HDADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(CCNS(C)(=O)=O)s2)C1 ZINC000731467776 1075358159 /nfs/dbraw/zinc/35/81/59/1075358159.db2.gz BFOUQGDEBDUINE-OAHLLOKOSA-N 1 0 407.561 1.973 20 0 HDADRO O=C(NCc1nnc(-c2ccc(F)cc2)[nH]1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096102 1075358369 /nfs/dbraw/zinc/35/83/69/1075358369.db2.gz STTFLCVVAPNDBD-UHFFFAOYSA-N 1 0 406.381 1.446 20 0 HDADRO CN(C)C(=O)Nc1cccc(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000676096334 1075359701 /nfs/dbraw/zinc/35/97/01/1075359701.db2.gz CJIZRMTYBMUYPG-UHFFFAOYSA-N 1 0 407.434 1.616 20 0 HDADRO CCO[C@@H](C)c1nc(CN(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cs1 ZINC000676096342 1075360027 /nfs/dbraw/zinc/36/00/27/1075360027.db2.gz CLBZYCLIZVXYKN-ZDUSSCGKSA-N 1 0 408.528 1.596 20 0 HDADRO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[NH+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000429396582 1075359983 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LBKVGHUZEZPEPZ-UHFFFAOYSA-N 1 0 416.445 1.759 20 0 HDADRO Cc1ccnc(Oc2ccc(NC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)cc2)n1 ZINC000676099882 1075364610 /nfs/dbraw/zinc/36/46/10/1075364610.db2.gz IWEAKDDFPSHZLB-UHFFFAOYSA-N 1 0 409.450 1.913 20 0 HDADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731481492 1075365303 /nfs/dbraw/zinc/36/53/03/1075365303.db2.gz WGQRLSSOAHSALR-MISIWFIQSA-N 1 0 410.584 1.303 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 ZINC000731481526 1075365758 /nfs/dbraw/zinc/36/57/58/1075365758.db2.gz YBUXCEOZAHIAJX-UHFFFAOYSA-N 1 0 413.522 1.224 20 0 HDADRO O=C(Cn1nc(-c2ccccc2)oc1=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000676086850 1075369340 /nfs/dbraw/zinc/36/93/40/1075369340.db2.gz BFUCLISGPWWGIY-ROUUACIJSA-N 1 0 400.479 1.387 20 0 HDADRO CCOC(=O)N(C)C1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000731503435 1075369883 /nfs/dbraw/zinc/36/98/83/1075369883.db2.gz ZIFCZPUXBRWTEJ-UHFFFAOYSA-N 1 0 411.547 1.191 20 0 HDADRO CN(C(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000804086714 1075370100 /nfs/dbraw/zinc/37/01/00/1075370100.db2.gz CDPWXZZXTFEMOS-INMHGKMJSA-N 1 0 408.543 1.634 20 0 HDADRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676088526 1075370798 /nfs/dbraw/zinc/37/07/98/1075370798.db2.gz APVXJODUPOBXKQ-UHFFFAOYSA-N 1 0 409.494 1.502 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000731479494 1075371551 /nfs/dbraw/zinc/37/15/51/1075371551.db2.gz VNUQIIRONUIJMS-TWGQIWQCSA-N 1 0 422.551 1.130 20 0 HDADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)N1CCc2ccccc2C1 ZINC000676088519 1075371642 /nfs/dbraw/zinc/37/16/42/1075371642.db2.gz BAZREVBQWKBNJL-INIZCTEOSA-N 1 0 404.474 1.769 20 0 HDADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000676090838 1075374140 /nfs/dbraw/zinc/37/41/40/1075374140.db2.gz IZQGUUXEEIGYOM-SFHVURJKSA-N 1 0 415.494 1.764 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N(Cc2cccs2)C[C@H]2CCCO2)cn1 ZINC000676090958 1075374160 /nfs/dbraw/zinc/37/41/60/1075374160.db2.gz PSNBKEVINJKFCN-MRXNPFEDSA-N 1 0 405.524 1.653 20 0 HDADRO CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1OC ZINC000448484309 1075374266 /nfs/dbraw/zinc/37/42/66/1075374266.db2.gz CJNCGCASPXGXEF-CQSZACIVSA-N 1 0 403.483 1.668 20 0 HDADRO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090129 1075375210 /nfs/dbraw/zinc/37/52/10/1075375210.db2.gz QRIDZEZJSOTNOS-FQEVSTJZSA-N 1 0 420.473 1.223 20 0 HDADRO O=C(CC1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1)N1CCCC1 ZINC000676091555 1075376651 /nfs/dbraw/zinc/37/66/51/1075376651.db2.gz ODQNRVMVPHSUHD-UHFFFAOYSA-N 1 0 410.478 1.457 20 0 HDADRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000731531631 1075377371 /nfs/dbraw/zinc/37/73/71/1075377371.db2.gz FPYVDHVUCWKWRA-CVEARBPZSA-N 1 0 404.467 1.463 20 0 HDADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 ZINC000676117847 1075379381 /nfs/dbraw/zinc/37/93/81/1075379381.db2.gz HVWSXLHCJDXVQQ-JOCHJYFZSA-N 1 0 423.473 1.285 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)cn1 ZINC000676100128 1075382111 /nfs/dbraw/zinc/38/21/11/1075382111.db2.gz LRXAILNMFYWKIR-INIZCTEOSA-N 1 0 403.458 1.941 20 0 HDADRO COc1ccc(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)C2)cc1 ZINC000446743104 1075387316 /nfs/dbraw/zinc/38/73/16/1075387316.db2.gz SYEGVYOMMRAVMP-SFHVURJKSA-N 1 0 413.522 1.873 20 0 HDADRO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000429398078 1075387673 /nfs/dbraw/zinc/38/76/73/1075387673.db2.gz UKQMOSCMXPPGAG-GOSISDBHSA-N 1 0 406.914 1.952 20 0 HDADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000804091910 1075387935 /nfs/dbraw/zinc/38/79/35/1075387935.db2.gz QLJMRNMJJAMVGP-DLBZAZTESA-N 1 0 410.559 1.928 20 0 HDADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000804091911 1075387991 /nfs/dbraw/zinc/38/79/91/1075387991.db2.gz QLJMRNMJJAMVGP-IAGOWNOFSA-N 1 0 410.559 1.928 20 0 HDADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1 ZINC000731574170 1075391566 /nfs/dbraw/zinc/39/15/66/1075391566.db2.gz KMELYHBHONDEDO-UHFFFAOYSA-N 1 0 423.448 1.915 20 0 HDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804092391 1075391581 /nfs/dbraw/zinc/39/15/81/1075391581.db2.gz JWTORBYBXJHKDA-VQHPVUNQSA-N 1 0 410.559 1.737 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)[C@H]3C)n2)cc1 ZINC000509740901 1075397108 /nfs/dbraw/zinc/39/71/08/1075397108.db2.gz AQBWABMGMVMKAN-VQIMIIECSA-N 1 0 411.506 1.964 20 0 HDADRO Cc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1S(=O)(=O)N1CCOCC1 ZINC001129185642 1075398189 /nfs/dbraw/zinc/39/81/89/1075398189.db2.gz OFMGPCNMQQYANH-UHFFFAOYSA-N 1 0 411.568 1.866 20 0 HDADRO O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000676148481 1075399059 /nfs/dbraw/zinc/39/90/59/1075399059.db2.gz WKIHPBCBFXOYRV-KSZLIROESA-N 1 0 414.472 1.805 20 0 HDADRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000543659268 1075399685 /nfs/dbraw/zinc/39/96/85/1075399685.db2.gz WBTNLMXDKREOHT-HXUWFJFHSA-N 1 0 401.532 1.774 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)NCC[N@@H+]3CCCC(C)(C)C3)n2)cc1 ZINC000447428098 1075399777 /nfs/dbraw/zinc/39/97/77/1075399777.db2.gz VVVNLIVCFLWPKV-UHFFFAOYSA-N 1 0 413.522 2.117 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)n2)cc1 ZINC000426934361 1075404855 /nfs/dbraw/zinc/40/48/55/1075404855.db2.gz PWWOHGFFHRJDQC-OAHLLOKOSA-N 1 0 401.511 1.971 20 0 HDADRO C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)c3cnc4ccccc4c3O)cc2)CC1 ZINC000731601056 1075407041 /nfs/dbraw/zinc/40/70/41/1075407041.db2.gz WMWBZUORWNMTMK-UHFFFAOYSA-N 1 0 419.485 1.648 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)n2)cc1 ZINC000444903704 1075408692 /nfs/dbraw/zinc/40/86/92/1075408692.db2.gz OJFRAIZBJQSUFX-INIZCTEOSA-N 1 0 401.511 2.249 20 0 HDADRO Cn1cccc1C(=O)N1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000676167459 1075409645 /nfs/dbraw/zinc/40/96/45/1075409645.db2.gz KHRKHJNELBVGHK-QUCCMNQESA-N 1 0 417.554 1.260 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000676169744 1075410656 /nfs/dbraw/zinc/41/06/56/1075410656.db2.gz ZITAFFXWDVFACV-RBUKOAKNSA-N 1 0 407.559 1.297 20 0 HDADRO COc1cc(C=O)ccc1OCC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000731622134 1075416939 /nfs/dbraw/zinc/41/69/39/1075416939.db2.gz KSQMKECFWYBWOA-HDICACEKSA-N 1 0 403.523 1.904 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000440939044 1075419747 /nfs/dbraw/zinc/41/97/47/1075419747.db2.gz BNXXTVFKPOJCDA-UHFFFAOYSA-N 1 0 400.458 1.740 20 0 HDADRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)cc1 ZINC000429403287 1075426086 /nfs/dbraw/zinc/42/60/86/1075426086.db2.gz ICVQTJKLSWZEOT-UHFFFAOYSA-N 1 0 411.506 1.880 20 0 HDADRO COc1ccc(NC(=O)C(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)nn1 ZINC000582657038 1075429578 /nfs/dbraw/zinc/42/95/78/1075429578.db2.gz XTFHRTHHOIGVFR-KRWDZBQOSA-N 1 0 411.506 2.013 20 0 HDADRO C[C@@]1(n2cc(C[NH2+][C@H](CO)Cc3c[nH]c4ccccc34)cn2)CCS(=O)(=O)C1 ZINC000676199564 1075434054 /nfs/dbraw/zinc/43/40/54/1075434054.db2.gz ILVATBNHFWKHNL-FXAWDEMLSA-N 1 0 402.520 1.591 20 0 HDADRO C[C@@H](NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000676243048 1075444183 /nfs/dbraw/zinc/44/41/83/1075444183.db2.gz GSQPAOCAUOWYSU-TZIWHRDSSA-N 1 0 403.571 1.213 20 0 HDADRO O=C(NCc1cccc2c1OCCCO2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000676245579 1075446905 /nfs/dbraw/zinc/44/69/05/1075446905.db2.gz OJUNDKQREBEFRF-GOSISDBHSA-N 1 0 404.511 1.054 20 0 HDADRO Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000542294165 1075447833 /nfs/dbraw/zinc/44/78/33/1075447833.db2.gz MWRGRWKBVOTMDB-UHFFFAOYSA-N 1 0 404.559 1.777 20 0 HDADRO O=C(CCC(=O)N1CCOc2ccccc21)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000731688084 1075450976 /nfs/dbraw/zinc/45/09/76/1075450976.db2.gz VCMLALRONBQVNQ-GOSISDBHSA-N 1 0 401.507 1.952 20 0 HDADRO CN(C)C(=O)CN1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000676258295 1075453691 /nfs/dbraw/zinc/45/36/91/1075453691.db2.gz HGJVISIHXULCQA-UHFFFAOYSA-N 1 0 401.555 1.953 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000731681014 1075464320 /nfs/dbraw/zinc/46/43/20/1075464320.db2.gz DEAKNJYJGYBJAQ-CALCHBBNSA-N 1 0 410.584 1.903 20 0 HDADRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000731683658 1075468260 /nfs/dbraw/zinc/46/82/60/1075468260.db2.gz IJDWWFKDPAPEKQ-PXNSSMCTSA-N 1 0 422.595 1.630 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CN(C)CCO1 ZINC000676278299 1075478689 /nfs/dbraw/zinc/47/86/89/1075478689.db2.gz HNHKKVIRLLAEDK-PXNSSMCTSA-N 1 0 418.538 1.325 20 0 HDADRO CN(C(=O)NCCC(=O)N1CCN(C)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470737438 1075480617 /nfs/dbraw/zinc/48/06/17/1075480617.db2.gz ONMFEAGSFFNUJX-FQEVSTJZSA-N 1 0 401.555 1.457 20 0 HDADRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCc1ccncc1OCC(F)(F)F ZINC000466725186 1075488687 /nfs/dbraw/zinc/48/86/87/1075488687.db2.gz QYPMMDXEZLKIQW-CYBMUJFWSA-N 1 0 403.405 1.162 20 0 HDADRO C[C@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@@H]1CN(C)CCO1 ZINC000676294970 1075498456 /nfs/dbraw/zinc/49/84/56/1075498456.db2.gz GWKTWACEAJFHJS-BJLQDIEVSA-N 1 0 404.555 1.905 20 0 HDADRO CN(C)C(=O)CN1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000676295617 1075499308 /nfs/dbraw/zinc/49/93/08/1075499308.db2.gz RAHQPFYEUKEJBK-FQEVSTJZSA-N 1 0 401.555 1.629 20 0 HDADRO C[C@H]1C[C@H](NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000676296453 1075499706 /nfs/dbraw/zinc/49/97/06/1075499706.db2.gz AOODTRSDIBNUHS-AZUAARDMSA-N 1 0 401.555 1.455 20 0 HDADRO CC[C@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1OCC(=O)NC ZINC000608328210 1075500403 /nfs/dbraw/zinc/50/04/03/1075500403.db2.gz RNBQDECBXFTMMA-INIZCTEOSA-N 1 0 402.499 1.842 20 0 HDADRO CC(C)c1nnc(NC(=O)CCC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)s1 ZINC000676300448 1075501437 /nfs/dbraw/zinc/50/14/37/1075501437.db2.gz BACSJWLVUVXZTM-CQSZACIVSA-N 1 0 422.555 1.321 20 0 HDADRO CCN1C(=O)N=NC1C1CC[NH+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000676342042 1075514807 /nfs/dbraw/zinc/51/48/07/1075514807.db2.gz GPHGELVODBNYOA-QGZVFWFLSA-N 1 0 403.483 1.581 20 0 HDADRO Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000676341617 1075515135 /nfs/dbraw/zinc/51/51/35/1075515135.db2.gz AWBSEGZXMIHWKL-GOSISDBHSA-N 1 0 409.552 1.293 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)N[C@H]3CCCC[C@@H]3N3CCOCC3)CC2)CC1 ZINC000543670775 1075515781 /nfs/dbraw/zinc/51/57/81/1075515781.db2.gz RNWAHRYGPRSVRA-SFTDATJTSA-N 1 0 421.630 1.689 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)NCCCc3nnc4ccccn43)CC2)CC1 ZINC000543671157 1075517583 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/nfs/dbraw/zinc/66/84/36/1075668436.db2.gz UVJWWRRANXTGGL-RTBURBONSA-N 1 0 424.567 1.555 20 0 HDADRO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000676747583 1075669765 /nfs/dbraw/zinc/66/97/65/1075669765.db2.gz HVEWWZCSSMCOEW-YJBOKZPZSA-N 1 0 422.551 1.007 20 0 HDADRO CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732214747 1075669871 /nfs/dbraw/zinc/66/98/71/1075669871.db2.gz VKJGAGJTZXBOMR-XMSQKQJNSA-N 1 0 413.522 1.129 20 0 HDADRO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000732214596 1075669878 /nfs/dbraw/zinc/66/98/78/1075669878.db2.gz KTZBVNQWDZCIJG-ZBFHGGJFSA-N 1 0 404.492 1.810 20 0 HDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000429461306 1075673365 /nfs/dbraw/zinc/67/33/65/1075673365.db2.gz ITONETMVTSOKDP-GFCCVEGCSA-N 1 0 413.316 1.148 20 0 HDADRO COc1ccc(Br)c(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000429461307 1075673398 /nfs/dbraw/zinc/67/33/98/1075673398.db2.gz ITONETMVTSOKDP-LBPRGKRZSA-N 1 0 413.316 1.148 20 0 HDADRO C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCC(C(=O)NCCO)CC4)nc(N)c32)C1 ZINC000732198616 1075674327 /nfs/dbraw/zinc/67/43/27/1075674327.db2.gz ZBVYSYHJRDTGFA-CYBMUJFWSA-N 1 0 417.579 1.761 20 0 HDADRO Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000732202333 1075675048 /nfs/dbraw/zinc/67/50/48/1075675048.db2.gz ZJHHUMFBZFUJAG-QFIPXVFZSA-N 1 0 424.593 1.702 20 0 HDADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(c2nc(N)ns2)CC1)c1ccccc1 ZINC000426472215 1075678580 /nfs/dbraw/zinc/67/85/80/1075678580.db2.gz ZEOIJUKZWJHLFR-CQSZACIVSA-N 1 0 403.556 2.081 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000732254087 1075680558 /nfs/dbraw/zinc/68/05/58/1075680558.db2.gz SINCTXXKOZVIPP-WMLDXEAASA-N 1 0 411.344 1.778 20 0 HDADRO CC(=O)NCCNC(=O)CCC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000732273995 1075686175 /nfs/dbraw/zinc/68/61/75/1075686175.db2.gz NEGVHDQYHGFUEV-UHFFFAOYSA-N 1 0 403.527 1.188 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000732275309 1075686879 /nfs/dbraw/zinc/68/68/79/1075686879.db2.gz IRONKXTUVWJVBR-QZTJIDSGSA-N 1 0 422.570 1.789 20 0 HDADRO Cc1nc(CN2CCC(CNC(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)oc1C ZINC000732257544 1075688740 /nfs/dbraw/zinc/68/87/40/1075688740.db2.gz SATGTFFFDUYXNG-RTBURBONSA-N 1 0 405.543 1.666 20 0 HDADRO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000141831825 1075689205 /nfs/dbraw/zinc/68/92/05/1075689205.db2.gz YRLTYVXEQSMOKV-UHFFFAOYSA-N 1 0 413.522 1.910 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000732307133 1075694631 /nfs/dbraw/zinc/69/46/31/1075694631.db2.gz DGJPCFYHPLWLFT-YESZJQIVSA-N 1 0 408.543 1.445 20 0 HDADRO Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@H]21 ZINC001084993033 1075699284 /nfs/dbraw/zinc/69/92/84/1075699284.db2.gz HWHBVWBKIWSACZ-IZGRHMBUSA-N 1 0 403.548 1.564 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cnc(C3CCCC3)nc2N)c1 ZINC000495281869 1075700098 /nfs/dbraw/zinc/70/00/98/1075700098.db2.gz BONMQISNCVCLLH-UHFFFAOYSA-N 1 0 410.522 1.938 20 0 HDADRO C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)C(=O)Nc3ccon3)cc2)C[C@H]1C ZINC000541670219 1075702617 /nfs/dbraw/zinc/70/26/17/1075702617.db2.gz OEKYAQCEZYJGIG-HZPDHXFCSA-N 1 0 400.479 1.939 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000547321310 1075704656 /nfs/dbraw/zinc/70/46/56/1075704656.db2.gz SAPUVNRHDSEIAV-YLJYHZDGSA-N 1 0 418.501 1.902 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)Cc2ccccc2C1 ZINC000446734942 1075717884 /nfs/dbraw/zinc/71/78/84/1075717884.db2.gz NHSQKQSNFHSJTQ-UHFFFAOYSA-N 1 0 409.412 1.599 20 0 HDADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 ZINC000553512249 1075719042 /nfs/dbraw/zinc/71/90/42/1075719042.db2.gz AMMMOFUYTRXKBJ-INIZCTEOSA-N 1 0 417.558 1.407 20 0 HDADRO Cc1ccccc1Nc1nc(N)nc(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000532944226 1075721510 /nfs/dbraw/zinc/72/15/10/1075721510.db2.gz MPEIXQAAISRTIP-OALUTQOASA-N 1 0 424.597 1.918 20 0 HDADRO Cc1ccccc1Nc1nc(N)nc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000490997881 1075721716 /nfs/dbraw/zinc/72/17/16/1075721716.db2.gz UDOPKDDVIUBVBX-PKOBYXMFSA-N 1 0 410.570 1.386 20 0 HDADRO C[C@H]1C[C@H](NC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C[N@@H+]1C1CC1 ZINC000486216731 1075722343 /nfs/dbraw/zinc/72/23/43/1075722343.db2.gz BZTGPDKSILGTJG-HOTGVXAUSA-N 1 0 409.538 1.664 20 0 HDADRO Cn1ncc(Br)c1C[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000785484829 1075722927 /nfs/dbraw/zinc/72/29/27/1075722927.db2.gz KQBAOOYROOMWQU-UHFFFAOYSA-N 1 0 405.240 1.586 20 0 HDADRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000475858281 1075722981 /nfs/dbraw/zinc/72/29/81/1075722981.db2.gz UVWHRCFVBUHDMI-SJLPKXTDSA-N 1 0 413.526 1.883 20 0 HDADRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCN(c2nc(N)ns2)CC1)[NH+](C)C ZINC000508869536 1075723991 /nfs/dbraw/zinc/72/39/91/1075723991.db2.gz YFXIPRJABCHDJT-GDBMZVCRSA-N 1 0 403.556 1.952 20 0 HDADRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)cc1 ZINC000448492593 1075725770 /nfs/dbraw/zinc/72/57/70/1075725770.db2.gz OKWYTFYNBOYRBX-UHFFFAOYSA-N 1 0 413.400 1.641 20 0 HDADRO C[NH+](C)CCOc1cnccc1CNC(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000584806102 1075726693 /nfs/dbraw/zinc/72/66/93/1075726693.db2.gz ZASXMWDRDBFPHM-UHFFFAOYSA-N 1 0 415.494 2.097 20 0 HDADRO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509255909 1075727661 /nfs/dbraw/zinc/72/76/61/1075727661.db2.gz GZCNWFWINUAPPS-AWEZNQCLSA-N 1 0 400.570 1.494 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(OCCc3ccccc3)CC2)n1 ZINC000533002519 1075728714 /nfs/dbraw/zinc/72/87/14/1075728714.db2.gz JYNCAPABTZLDFX-UHFFFAOYSA-N 1 0 413.522 1.634 20 0 HDADRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CCN(S(=O)(=O)c4cccs4)C3)[C@H]2C1 ZINC000509258847 1075728951 /nfs/dbraw/zinc/72/89/51/1075728951.db2.gz POHXPVIOYXIMJD-OAGGEKHMSA-N 1 0 412.581 1.494 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)n1 ZINC000533457403 1075729872 /nfs/dbraw/zinc/72/98/72/1075729872.db2.gz YZJLWMLGADMZDC-MRXNPFEDSA-N 1 0 405.886 1.637 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)n1 ZINC000442454144 1075732679 /nfs/dbraw/zinc/73/26/79/1075732679.db2.gz LVMVPKPDRCNUQM-KRWDZBQOSA-N 1 0 413.526 1.889 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)n1 ZINC000559843619 1075733498 /nfs/dbraw/zinc/73/34/98/1075733498.db2.gz FNVANRDBHCDIKT-UHFFFAOYSA-N 1 0 409.494 2.098 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)Cc2cc3c(cc2Br)OCCO3)n1 ZINC000588036621 1075734912 /nfs/dbraw/zinc/73/49/12/1075734912.db2.gz IFXKXKWINQCRKH-UHFFFAOYSA-N 1 0 409.284 2.160 20 0 HDADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000429264439 1075736059 /nfs/dbraw/zinc/73/60/59/1075736059.db2.gz MNCRSNGPGNNBBG-UHFFFAOYSA-N 1 0 421.607 1.832 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N[C@H](c2nc[nH]n2)c2cccc(C(F)(F)F)c2)n1 ZINC000467388177 1075738637 /nfs/dbraw/zinc/73/86/37/1075738637.db2.gz JPWVBMKEOZZCOM-HNNXBMFYSA-N 1 0 422.415 2.493 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)n1 ZINC000470362694 1075739108 /nfs/dbraw/zinc/73/91/08/1075739108.db2.gz LCUZCGIWKMSIIV-UHFFFAOYSA-N 1 0 410.475 1.768 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)n1 ZINC000500037675 1075740081 /nfs/dbraw/zinc/74/00/81/1075740081.db2.gz UOLMAHTVZWMDGT-IBGZPJMESA-N 1 0 406.490 1.820 20 0 HDADRO Cc1cc(Cl)ccc1S(=O)(=O)NCCNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000553386239 1075740115 /nfs/dbraw/zinc/74/01/15/1075740115.db2.gz ADDVXDAQGVKWDS-UHFFFAOYSA-N 1 0 407.887 1.597 20 0 HDADRO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000530584191 1075742372 /nfs/dbraw/zinc/74/23/72/1075742372.db2.gz AUXSBMPPUNBUFY-UHFFFAOYSA-N 1 0 411.462 1.802 20 0 HDADRO CN1CC[NH+](CCCCNC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)CC1 ZINC000732430770 1075743502 /nfs/dbraw/zinc/74/35/02/1075743502.db2.gz MAQAGDXMZRPYHS-UHFFFAOYSA-N 1 0 412.556 1.259 20 0 HDADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N3CCCC[C@H]3C3OCCO3)cc2)CC1 ZINC000732445015 1075746505 /nfs/dbraw/zinc/74/65/05/1075746505.db2.gz WLJZBFWEUYDJIM-FQEVSTJZSA-N 1 0 402.539 1.871 20 0 HDADRO CN(C)S(=O)(=O)c1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000599950241 1075746641 /nfs/dbraw/zinc/74/66/41/1075746641.db2.gz RYEFOZYLNDSPJV-UHFFFAOYSA-N 1 0 404.536 2.419 20 0 HDADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCCC[C@@H]1C1OCCO1 ZINC000732464816 1075752890 /nfs/dbraw/zinc/75/28/90/1075752890.db2.gz JITNELKVIGAEBC-GOSISDBHSA-N 1 0 418.542 1.316 20 0 HDADRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000732467838 1075755428 /nfs/dbraw/zinc/75/54/28/1075755428.db2.gz YUURVYZRHDDLRP-NJDAHSKKSA-N 1 0 402.539 1.092 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497967051 1075755625 /nfs/dbraw/zinc/75/56/25/1075755625.db2.gz 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Nc1nsc(N2CCN(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000494425157 1075768396 /nfs/dbraw/zinc/76/83/96/1075768396.db2.gz KEQCOUTYRQYAEM-MRXNPFEDSA-N 1 0 401.540 1.617 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCOc4c(F)cccc4C3)n2)CC1 ZINC000435287520 1075778791 /nfs/dbraw/zinc/77/87/91/1075778791.db2.gz HZSIRXQDLXZLAC-UHFFFAOYSA-N 1 0 401.442 1.649 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)NCc3ccc(NS(C)(=O)=O)cc3)n2)CC1 ZINC000491273312 1075784880 /nfs/dbraw/zinc/78/48/80/1075784880.db2.gz VDOIHYWPPOAWPZ-UHFFFAOYSA-N 1 0 406.512 1.843 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)n2)CC1 ZINC000428324870 1075786277 /nfs/dbraw/zinc/78/62/77/1075786277.db2.gz DXHHADADRXGCHE-INIZCTEOSA-N 1 0 402.543 2.453 20 0 HDADRO CCCN(CCC)S(=O)(=O)N1CCN(C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000486513029 1075787198 /nfs/dbraw/zinc/78/71/98/1075787198.db2.gz LOYPFCAQTGDEHA-QGZVFWFLSA-N 1 0 405.609 1.411 20 0 HDADRO COCCOC(=O)c1sc2[nH]c(CN3CCC(C[NH+](C)C)CC3)nc(=O)c2c1C ZINC000732569535 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CCN1C[C@H](C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1=O ZINC000733435595 1076075610 /nfs/dbraw/zinc/07/56/10/1076075610.db2.gz AWXMBXWSGNNXDO-MRXNPFEDSA-N 1 0 405.520 1.586 20 0 HDADRO CN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2Cl)CC1 ZINC000727232273 1076086944 /nfs/dbraw/zinc/08/69/44/1076086944.db2.gz ZWVGPZYVJNZOGX-KRWDZBQOSA-N 1 0 419.957 1.727 20 0 HDADRO CCOC(=O)C1=C(CN2CC[NH+](C[C@@H]3CCCO3)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000727240219 1076088182 /nfs/dbraw/zinc/08/81/82/1076088182.db2.gz GRKJPMAXGKYQGR-HNAYVOBHSA-N 1 0 418.494 1.247 20 0 HDADRO CC(C)NC(=O)CNC(=S)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000727278768 1076089713 /nfs/dbraw/zinc/08/97/13/1076089713.db2.gz XAPPVOVMPDSPSD-UHFFFAOYSA-N 1 0 405.612 1.573 20 0 HDADRO C[C@H]1Oc2ccc(C(=O)C3CCN(C(=S)NCC[NH+](C)C)CC3)cc2NC1=O ZINC000727280920 1076089887 /nfs/dbraw/zinc/08/98/87/1076089887.db2.gz NTVFWMHIOVCGBP-CYBMUJFWSA-N 1 0 404.536 1.737 20 0 HDADRO CC(C)NC(=O)CNC(=S)NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000727270997 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CC[NH+]1CCN(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000727491441 1076137528 /nfs/dbraw/zinc/13/75/28/1076137528.db2.gz XIAFLQGPZLEGFB-IBGZPJMESA-N 1 0 404.555 1.876 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000733649775 1076141767 /nfs/dbraw/zinc/14/17/67/1076141767.db2.gz YOKUOCDDXLGKSF-SFHVURJKSA-N 1 0 403.527 1.539 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc2)CC1 ZINC000733668595 1076149163 /nfs/dbraw/zinc/14/91/63/1076149163.db2.gz JPBXXRMGBQHZKO-CVEARBPZSA-N 1 0 424.567 1.047 20 0 HDADRO CO[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C(F)(F)F ZINC000733672384 1076153825 /nfs/dbraw/zinc/15/38/25/1076153825.db2.gz VBCVSGGIKLWTRT-HNNXBMFYSA-N 1 0 419.469 1.910 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H](OC)C(F)(F)F)cc2)CC1 ZINC000733675363 1076157339 /nfs/dbraw/zinc/15/73/39/1076157339.db2.gz XYNYYFPXJXSXES-MRXNPFEDSA-N 1 0 416.444 1.456 20 0 HDADRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C1 ZINC000526047390 1076171200 /nfs/dbraw/zinc/17/12/00/1076171200.db2.gz XYDYPYMMZPZZDP-GOSISDBHSA-N 1 0 400.504 1.551 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCc2ccnc(-n3ccnc3)c2)c1 ZINC000727603644 1076177630 /nfs/dbraw/zinc/17/76/30/1076177630.db2.gz XGCOOFSFIHPDPZ-UHFFFAOYSA-N 1 0 421.505 1.558 20 0 HDADRO CCNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727609288 1076179058 /nfs/dbraw/zinc/17/90/58/1076179058.db2.gz YZSIYRHOXKJSRI-UHFFFAOYSA-N 1 0 417.510 1.082 20 0 HDADRO COC(=O)Nc1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1F ZINC000727613793 1076183705 /nfs/dbraw/zinc/18/37/05/1076183705.db2.gz POPWHPOGDVGXTP-HNNXBMFYSA-N 1 0 422.457 1.656 20 0 HDADRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733775783 1076202616 /nfs/dbraw/zinc/20/26/16/1076202616.db2.gz RLZSOWOXQAZFFW-MRXNPFEDSA-N 1 0 401.511 1.593 20 0 HDADRO C[NH+]1CCN(C[C@H](NC(=O)CN2c3ccccc3OCCC2=O)c2ccccc2)CC1 ZINC000727714939 1076208626 /nfs/dbraw/zinc/20/86/26/1076208626.db2.gz 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COc1cccc([C@H](CNC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)[NH+](C)C)c1 ZINC000727752718 1076227059 /nfs/dbraw/zinc/22/70/59/1076227059.db2.gz AMXFTDIYTLTPAG-WMZOPIPTSA-N 1 0 404.492 1.144 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)CCOCC1 ZINC000733854077 1076230086 /nfs/dbraw/zinc/23/00/86/1076230086.db2.gz XJXBZMLZZTUKFJ-UHFFFAOYSA-N 1 0 406.874 1.086 20 0 HDADRO CC(C)OC(=O)N1CCC(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000733855663 1076230702 /nfs/dbraw/zinc/23/07/02/1076230702.db2.gz ZJDCFMLCEONZCS-UHFFFAOYSA-N 1 0 400.439 1.331 20 0 HDADRO CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000733855283 1076231133 /nfs/dbraw/zinc/23/11/33/1076231133.db2.gz XCFXWGPAMSWDKD-HNNXBMFYSA-N 1 0 414.466 1.722 20 0 HDADRO Cc1ccc(C)c(OCC[NH2+]C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCO2)c1 ZINC001273292288 1076249568 /nfs/dbraw/zinc/24/95/68/1076249568.db2.gz QKXVXGPWLAZEIZ-RVEDGADZSA-N 1 0 400.519 1.923 20 0 HDADRO C[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000733888543 1076250242 /nfs/dbraw/zinc/25/02/42/1076250242.db2.gz GEZDXAJBCYUPKK-IERDGZPVSA-N 1 0 417.531 1.872 20 0 HDADRO CNC(=O)C1([NH2+]CC(=O)Nc2ccc(I)cc2)CCCC1 ZINC000733896679 1076256156 /nfs/dbraw/zinc/25/61/56/1076256156.db2.gz PCCIAHFWZRZGMQ-UHFFFAOYSA-N 1 0 401.248 1.878 20 0 HDADRO CC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)CC(C)(C)O ZINC000733896417 1076256536 /nfs/dbraw/zinc/25/65/36/1076256536.db2.gz BSDSYSNBLPNHBR-UHFFFAOYSA-N 1 0 424.567 1.969 20 0 HDADRO C[C@@H]1C[NH+](C[C@H](O)CN(C)[C@H](C(N)=O)c2cccc(Br)c2)C[C@@H](C)O1 ZINC000536746887 1076256963 /nfs/dbraw/zinc/25/69/63/1076256963.db2.gz CQJZBSBBZHSCKY-KFZJALRRSA-N 1 0 414.344 1.377 20 0 HDADRO CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000733897022 1076258324 /nfs/dbraw/zinc/25/83/24/1076258324.db2.gz HUVGFMFLOZCIEF-DEOSSOPVSA-N 1 0 424.545 1.992 20 0 HDADRO CN(C)S(=O)(=O)c1ccc(CN[C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000733898283 1076258947 /nfs/dbraw/zinc/25/89/47/1076258947.db2.gz POZGCUWNWKEAPD-HXUWFJFHSA-N 1 0 407.536 1.647 20 0 HDADRO COCCN1C(=O)c2ccc(C(=O)N3CCC[N@@H+](C(C)C)CC3)cc2S1(=O)=O ZINC000727807443 1076259709 /nfs/dbraw/zinc/25/97/09/1076259709.db2.gz XAEJQEUKGFVUPN-UHFFFAOYSA-N 1 0 409.508 1.034 20 0 HDADRO CN(C)C(=O)c1ccc(NC(=O)C[NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)cc1 ZINC000733898692 1076259681 /nfs/dbraw/zinc/25/96/81/1076259681.db2.gz RYPTUCMVYJDAKB-XMMPIXPASA-N 1 0 424.545 1.944 20 0 HDADRO CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 ZINC000766199088 1076262830 /nfs/dbraw/zinc/26/28/30/1076262830.db2.gz BBFWXKZXVUZZRH-UHFFFAOYSA-N 1 0 416.453 1.517 20 0 HDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000727853023 1076272361 /nfs/dbraw/zinc/27/23/61/1076272361.db2.gz FCJMUOQRTSWTFW-UONOGXRCSA-N 1 0 420.432 1.090 20 0 HDADRO COCCN(CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C(=O)OC(C)(C)C ZINC000733949945 1076273193 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HDADRO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](C4OCCO4)C3)CC2)c(F)c1 ZINC000728053453 1076320672 /nfs/dbraw/zinc/32/06/72/1076320672.db2.gz KWVNMFUOPOYWPC-SFHVURJKSA-N 1 0 419.497 1.762 20 0 HDADRO CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000728056933 1076323404 /nfs/dbraw/zinc/32/34/04/1076323404.db2.gz VILSJCJTRIJYAL-HNNXBMFYSA-N 1 0 416.569 1.494 20 0 HDADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000728070178 1076332284 /nfs/dbraw/zinc/33/22/84/1076332284.db2.gz FIDSRZPNHOAPSD-FHSFGEDOSA-N 1 0 408.568 1.185 20 0 HDADRO Cc1ccc(N2C[C@@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2=O)cc1F ZINC000728077464 1076334484 /nfs/dbraw/zinc/33/44/84/1076334484.db2.gz JLEMOBAKKOVYKF-CVEARBPZSA-N 1 0 404.486 1.191 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2nc(NCc3ccco3)ncc2Cl)C1 ZINC000728078114 1076335042 /nfs/dbraw/zinc/33/50/42/1076335042.db2.gz TUTNGMNFBWBZNR-CYBMUJFWSA-N 1 0 420.901 1.652 20 0 HDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000728140702 1076341352 /nfs/dbraw/zinc/34/13/52/1076341352.db2.gz DPFUYBJCLKZWND-HOTGVXAUSA-N 1 0 406.502 1.837 20 0 HDADRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)C1 ZINC000729979238 1076403960 /nfs/dbraw/zinc/40/39/60/1076403960.db2.gz CHWXPLYVKYQYKL-OAHLLOKOSA-N 1 0 415.531 1.743 20 0 HDADRO C[C@@H](OC(=O)CN1Cc2ccccc2C1=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000730053405 1076427861 /nfs/dbraw/zinc/42/78/61/1076427861.db2.gz GRGFCAJHSIOYEW-XLIONFOSSA-N 1 0 421.497 1.965 20 0 HDADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000730084232 1076433063 /nfs/dbraw/zinc/43/30/63/1076433063.db2.gz GUTCEZPKQBBBQT-UDDPJMIQSA-N 1 0 400.458 1.176 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCN(Cc4nccn4C)CC3)cc2)CC1 ZINC000730064253 1076433467 /nfs/dbraw/zinc/43/34/67/1076433467.db2.gz OFJAZYLOKZNFFX-UHFFFAOYSA-N 1 0 411.554 1.912 20 0 HDADRO 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C[NH+](C)CCCOc1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 ZINC000730510868 1076583276 /nfs/dbraw/zinc/58/32/76/1076583276.db2.gz LTKDOLOAIBAXJY-UHFFFAOYSA-N 1 0 404.492 1.453 20 0 HDADRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CC(=O)N2CCO[C@@H](C)C2)C(C)C)cc1 ZINC000730568049 1076604293 /nfs/dbraw/zinc/60/42/93/1076604293.db2.gz ARQDPFYZVGPRGY-LPHOPBHVSA-N 1 0 407.511 1.342 20 0 HDADRO CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC001545677826 1076634619 /nfs/dbraw/zinc/63/46/19/1076634619.db2.gz HOPJLFDRPVYXRC-IBGZPJMESA-N 1 0 420.554 1.834 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@H](O)c2cccc(F)c2)cc1 ZINC000730680484 1076636790 /nfs/dbraw/zinc/63/67/90/1076636790.db2.gz UKSCBUXXHWVMIZ-IBGZPJMESA-N 1 0 403.454 1.945 20 0 HDADRO CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000730680076 1076636811 /nfs/dbraw/zinc/63/68/11/1076636811.db2.gz NCWCAKURFJPVFQ-QGZVFWFLSA-N 1 0 420.510 1.693 20 0 HDADRO COC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000730683782 1076639891 /nfs/dbraw/zinc/63/98/91/1076639891.db2.gz MCSNHVJBHPNBJN-GOSISDBHSA-N 1 0 417.510 1.432 20 0 HDADRO COC1CC[NH+](C(C)(C)CNC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000730737828 1076644511 /nfs/dbraw/zinc/64/45/11/1076644511.db2.gz QBBCYOZOEDCCPU-UHFFFAOYSA-N 1 0 414.597 1.188 20 0 HDADRO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000730773050 1076649945 /nfs/dbraw/zinc/64/99/45/1076649945.db2.gz ZOSSOWKZSNHFIU-UHFFFAOYSA-N 1 0 414.531 1.786 20 0 HDADRO COCCN1C(=O)c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2S1(=O)=O ZINC000730798350 1076653470 /nfs/dbraw/zinc/65/34/70/1076653470.db2.gz VHAIIVDJQULRSV-MRXNPFEDSA-N 1 0 421.519 1.178 20 0 HDADRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000730786270 1076657496 /nfs/dbraw/zinc/65/74/96/1076657496.db2.gz OGRIRMZLFOYOQG-OKILXGFUSA-N 1 0 405.520 1.986 20 0 HDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000730787102 1076657935 /nfs/dbraw/zinc/65/79/35/1076657935.db2.gz LTXBQLNIRHAMTA-APWZRJJASA-N 1 0 416.522 1.800 20 0 HDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC000730787531 1076657994 /nfs/dbraw/zinc/65/79/94/1076657994.db2.gz LTXBQLNIRHAMTA-VQIMIIECSA-N 1 0 416.522 1.800 20 0 HDADRO COCC[N@@H+]1CC[C@H](NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000730789706 1076659487 /nfs/dbraw/zinc/65/94/87/1076659487.db2.gz SGZOJHSWGPVAPB-HNNXBMFYSA-N 1 0 410.478 1.291 20 0 HDADRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1 ZINC000730791882 1076660763 /nfs/dbraw/zinc/66/07/63/1076660763.db2.gz YHVPXMYPGUWEHH-UHFFFAOYSA-N 1 0 413.540 1.683 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000730825971 1076663313 /nfs/dbraw/zinc/66/33/13/1076663313.db2.gz SYOAKRHAPLHGOW-HOCLYGCPSA-N 1 0 416.444 1.625 20 0 HDADRO O=C(Nc1ccc(-n2cncn2)c(Cl)c1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730921448 1076693778 /nfs/dbraw/zinc/69/37/78/1076693778.db2.gz UWTLBOYSADHHOS-HNNXBMFYSA-N 1 0 402.886 1.946 20 0 HDADRO CCOC(=O)C1=C(C[NH2+]C2(c3ccc(OC)cc3)CCOCC2)NC(=O)N[C@@H]1C ZINC000730933453 1076695070 /nfs/dbraw/zinc/69/50/70/1076695070.db2.gz CUKNZPLAYBDIJT-CQSZACIVSA-N 1 0 403.479 1.809 20 0 HDADRO COc1cc2c(cc1OC)CN(C(=O)CCCNC(=S)NCC[NH+](C)C)CC2 ZINC000730950816 1076700330 /nfs/dbraw/zinc/70/03/30/1076700330.db2.gz PSSOENHTBVJAOV-UHFFFAOYSA-N 1 0 408.568 1.394 20 0 HDADRO Cc1cc2nc(C)cc(C(=O)NCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)n2n1 ZINC000730971184 1076702019 /nfs/dbraw/zinc/70/20/19/1076702019.db2.gz SLYDXQZHICSUNV-LJQANCHMSA-N 1 0 420.517 1.973 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3cnn(-c4ccccc4)n3)c2)C1 ZINC000730975077 1076702501 /nfs/dbraw/zinc/70/25/01/1076702501.db2.gz WBRLDZYTOUDMFT-IBGZPJMESA-N 1 0 418.501 1.895 20 0 HDADRO COC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000731008404 1076710035 /nfs/dbraw/zinc/71/00/35/1076710035.db2.gz GSXOPHQAXNLYHT-OALUTQOASA-N 1 0 418.538 1.771 20 0 HDADRO NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000731020289 1076712405 /nfs/dbraw/zinc/71/24/05/1076712405.db2.gz QKPBIHKFJNXJSW-RKLIJYKOSA-N 1 0 410.518 1.390 20 0 HDADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 ZINC000731024870 1076712879 /nfs/dbraw/zinc/71/28/79/1076712879.db2.gz JNDAHKFKIHRWAD-HOCLYGCPSA-N 1 0 421.519 1.082 20 0 HDADRO O=C(c1sccc1S(=O)(=O)C(F)F)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000731057970 1076719897 /nfs/dbraw/zinc/71/98/97/1076719897.db2.gz JERCSBDFJONUJQ-UHFFFAOYSA-N 1 0 407.508 1.598 20 0 HDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731058900 1076720018 /nfs/dbraw/zinc/72/00/18/1076720018.db2.gz ZMECGIGFWGXMHT-UHFFFAOYSA-N 1 0 423.507 1.274 20 0 HDADRO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000731232715 1076761111 /nfs/dbraw/zinc/76/11/11/1076761111.db2.gz HFUGKQOMQWFELC-YLJYHZDGSA-N 1 0 415.538 1.327 20 0 HDADRO NS(=O)(=O)c1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)o1 ZINC001474208765 1126202590 /nfs/dbraw/zinc/20/25/90/1126202590.db2.gz PMIFVOIGZDMYPI-MRXNPFEDSA-N 1 0 415.309 1.699 20 0 HDADRO O=C1CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)CC2(CC[NH2+]CC2)N1 ZINC001164390542 718808932 /nfs/dbraw/zinc/80/89/32/718808932.db2.gz QXLYATFACKMIDH-UHFFFAOYSA-N 1 0 412.925 1.704 20 0 HDADRO O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CCN3CC[NH2+]C[C@@H]3C2)nc1 ZINC001164402764 718841187 /nfs/dbraw/zinc/84/11/87/718841187.db2.gz HCSZZKADJQRPTB-CQSZACIVSA-N 1 0 409.462 1.254 20 0 HDADRO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001164408698 718851426 /nfs/dbraw/zinc/85/14/26/718851426.db2.gz SPPRIIYNWPZBCS-BZNIZROVSA-N 1 0 402.829 1.260 20 0 HDADRO OC[C@]12C[NH2+]C[C@@H]1CN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001164409741 718852957 /nfs/dbraw/zinc/85/29/57/718852957.db2.gz WUKRRZQHFREQCT-SPLOXXLWSA-N 1 0 415.563 1.030 20 0 HDADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164415905 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RCEIEELSYURJPU-ZWKOTPCHSA-N 1 0 413.503 1.496 20 0 HDADRO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)n1 ZINC001164685207 719716641 /nfs/dbraw/zinc/71/66/41/719716641.db2.gz SCSIRVCTQHXFDL-UHFFFAOYSA-N 1 0 409.918 1.416 20 0 HDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@H](C(=O)N5CCCCO5)[C@@H]4C3)n2)CC1 ZINC001164707488 719917788 /nfs/dbraw/zinc/91/77/88/719917788.db2.gz RKDKFEXQJHANNO-QRVBRYPASA-N 1 0 415.538 1.086 20 0 HDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)C2 ZINC001164814139 720097366 /nfs/dbraw/zinc/09/73/66/720097366.db2.gz VOLCLEXMMKCYBX-QRWLVFNGSA-N 1 0 419.551 1.546 20 0 HDADRO CCOC(=O)c1cnc(OC)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164809713 720107235 /nfs/dbraw/zinc/10/72/35/720107235.db2.gz IKKJTAKXLLISQF-HRAATJIYSA-N 1 0 404.511 1.847 20 0 HDADRO CCNS(=O)(=O)c1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164807938 720136898 /nfs/dbraw/zinc/13/68/98/720136898.db2.gz CZOVGABZKMVBIN-PXNSSMCTSA-N 1 0 408.568 1.565 20 0 HDADRO Cc1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1NC1CC1 ZINC001164711278 720163935 /nfs/dbraw/zinc/16/39/35/720163935.db2.gz ASGOHQVIGPTXIH-GOSISDBHSA-N 1 0 412.542 1.704 20 0 HDADRO CCOC(=O)c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164713373 720166443 /nfs/dbraw/zinc/16/64/43/720166443.db2.gz JLJUNIYDHPNUKF-GOSISDBHSA-N 1 0 414.510 1.603 20 0 HDADRO CCNS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164816857 720166596 /nfs/dbraw/zinc/16/65/96/720166596.db2.gz NFXQOBQOYVXRHO-PXNSSMCTSA-N 1 0 408.568 1.565 20 0 HDADRO COC(=O)c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1C ZINC001164719516 720179218 /nfs/dbraw/zinc/17/92/18/720179218.db2.gz VOWZIHAIOZTRFS-SFHVURJKSA-N 1 0 414.510 1.521 20 0 HDADRO COc1ccc2nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)ncc2c1 ZINC001164718775 720184856 /nfs/dbraw/zinc/18/48/56/720184856.db2.gz QXWHCNICIHIGMQ-HXUWFJFHSA-N 1 0 423.521 1.983 20 0 HDADRO Cn1nnc2c1CCN(c1cc(OCC3CC3)ncn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719916 720187013 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XMVIJHUSTCYWSF-MOPGFXCFSA-N 1 0 409.538 1.882 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccnc(-n3ccccc3=O)n2)CC1 ZINC001164831151 720343002 /nfs/dbraw/zinc/34/30/02/720343002.db2.gz XWNWCGNAFNWWSF-RBUKOAKNSA-N 1 0 422.533 1.539 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(C(=O)NC3CC3)nn2)CC1 ZINC001164822406 720345710 /nfs/dbraw/zinc/34/57/10/720345710.db2.gz DPAIHPLIQPORTE-MOPGFXCFSA-N 1 0 412.538 1.280 20 0 HDADRO CCOc1cc[nH+]c(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)c1 ZINC001164824701 720449476 /nfs/dbraw/zinc/44/94/76/720449476.db2.gz PPZCUBBJJBDQEH-QGZVFWFLSA-N 1 0 401.511 1.666 20 0 HDADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3S(N)(=O)=O)CC[C@@H]21 ZINC001164834935 720515259 /nfs/dbraw/zinc/51/52/59/720515259.db2.gz INLFEXSBGPMMPB-IKGGRYGDSA-N 1 0 404.540 1.303 20 0 HDADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncccc2S(=O)(=O)N2CCCC2)C1 ZINC001164728729 720519865 /nfs/dbraw/zinc/51/98/65/720519865.db2.gz KUZVDLGDTZFVDH-INIZCTEOSA-N 1 0 404.540 1.261 20 0 HDADRO O=C1NCc2c1c(N1CCc3ncc(C[NH+]4CCCC4)n3CC1)nc(Cl)c2F ZINC001164728117 720570586 /nfs/dbraw/zinc/57/05/86/720570586.db2.gz JTSLGIXVHPZOJP-UHFFFAOYSA-N 1 0 404.877 1.973 20 0 HDADRO CCOC(=O)c1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164742995 720612746 /nfs/dbraw/zinc/61/27/46/720612746.db2.gz NWTQUUFQBZKRJK-STQMWFEESA-N 1 0 404.858 1.439 20 0 HDADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cc-2n1 ZINC001164742664 720690125 /nfs/dbraw/zinc/69/01/25/720690125.db2.gz WGUCZAYGHJJQKY-ZIAGYGMSSA-N 1 0 424.461 1.490 20 0 HDADRO COC(=O)c1cc2ccncc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741079 720709988 /nfs/dbraw/zinc/70/99/88/720709988.db2.gz SPWDHOREMDGUPI-CVEARBPZSA-N 1 0 406.446 1.548 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(S(N)(=O)=O)ccn1)CC2 ZINC001164838817 720718265 /nfs/dbraw/zinc/71/82/65/720718265.db2.gz JEXHJCCUJFCCMU-SFHVURJKSA-N 1 0 416.547 1.989 20 0 HDADRO Cc1nc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1C 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ZINC000673785710 1073726980 /nfs/dbraw/zinc/72/69/80/1073726980.db2.gz XUGFHBYAGKCJCE-FQEVSTJZSA-N 1 0 418.538 1.279 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000429134472 1073738268 /nfs/dbraw/zinc/73/82/68/1073738268.db2.gz KFKJTJCDBGOXSW-SJORKVTESA-N 1 0 411.572 1.123 20 0 HDADRO CON(C)S(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)cc1 ZINC001168742278 1073751857 /nfs/dbraw/zinc/75/18/57/1073751857.db2.gz ILORHZGONQUYEQ-GOSISDBHSA-N 1 0 421.494 1.664 20 0 HDADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN1c1ncccn1 ZINC000673814438 1073757803 /nfs/dbraw/zinc/75/78/03/1073757803.db2.gz KAKJQSRWSWUADS-OAQYLSRUSA-N 1 0 408.550 1.770 20 0 HDADRO O=C([C@@H]1CCCN1c1ncccn1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000673816881 1073772527 /nfs/dbraw/zinc/77/25/27/1073772527.db2.gz LGFGXKFZSPYOLU-HNNXBMFYSA-N 1 0 401.433 1.559 20 0 HDADRO C[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000509160707 1073791909 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O=C(CN1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1)NC1CCCCC1 ZINC000673862724 1073829738 /nfs/dbraw/zinc/82/97/38/1073829738.db2.gz PZTFNAXRRIYGFC-UHFFFAOYSA-N 1 0 411.510 1.866 20 0 HDADRO CCO[C@H](C)c1noc(CN2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)n1 ZINC000673870528 1073834863 /nfs/dbraw/zinc/83/48/63/1073834863.db2.gz AGNUMYSPTKTXJG-OAHLLOKOSA-N 1 0 420.518 1.275 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cn1 ZINC000673868984 1073834923 /nfs/dbraw/zinc/83/49/23/1073834923.db2.gz KPTACJAWIXYDSH-IBGZPJMESA-N 1 0 404.490 1.779 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)cn1 ZINC000673872065 1073838827 /nfs/dbraw/zinc/83/88/27/1073838827.db2.gz RZAJISZSNVGPPA-UHFFFAOYSA-N 1 0 406.437 1.713 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000673873092 1073840703 /nfs/dbraw/zinc/84/07/03/1073840703.db2.gz VTQIKZRKNAULHG-UHFFFAOYSA-N 1 0 413.478 1.866 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)C1 ZINC000673874284 1073841261 /nfs/dbraw/zinc/84/12/61/1073841261.db2.gz GBGSFVHZXAFDFZ-BRWVUGGUSA-N 1 0 406.531 1.513 20 0 HDADRO NC(=O)c1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1F ZINC000673875738 1073841803 /nfs/dbraw/zinc/84/18/03/1073841803.db2.gz DSGXYLGPXKXTGI-KXBFYZLASA-N 1 0 400.454 1.929 20 0 HDADRO COCCNC(=O)Cn1cc(NC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cn1 ZINC000673874890 1073843158 /nfs/dbraw/zinc/84/31/58/1073843158.db2.gz QMZUZENHGRVUFF-IBGZPJMESA-N 1 0 414.510 1.384 20 0 HDADRO COc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)c(OC)c1OC ZINC000673876686 1073843190 /nfs/dbraw/zinc/84/31/90/1073843190.db2.gz SMSXVHZKUXRIIO-OAHLLOKOSA-N 1 0 420.510 1.274 20 0 HDADRO O=C(NC1CCN(CC(F)F)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000673876606 1073843898 /nfs/dbraw/zinc/84/38/98/1073843898.db2.gz HDDIZQPGKXQYIG-MJGOQNOKSA-N 1 0 410.509 1.898 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)cn1 ZINC000673866976 1073845764 /nfs/dbraw/zinc/84/57/64/1073845764.db2.gz GUFVYSHUXKXAKO-UHFFFAOYSA-N 1 0 419.574 1.291 20 0 HDADRO O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000673878774 1073849257 /nfs/dbraw/zinc/84/92/57/1073849257.db2.gz OTISUEMTWOIOBE-FPOVZHCZSA-N 1 0 410.518 1.958 20 0 HDADRO Cc1ccc(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(OC[C@@H]2CCCO2)c1 ZINC000466548073 1073851367 /nfs/dbraw/zinc/85/13/67/1073851367.db2.gz KYWCQJAGRDGIOS-QUCCMNQESA-N 1 0 404.555 1.988 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000673884354 1073856737 /nfs/dbraw/zinc/85/67/37/1073856737.db2.gz XGAAJYVJIVBBTJ-WOJBJXKFSA-N 1 0 400.523 1.682 20 0 HDADRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000543496539 1073857264 /nfs/dbraw/zinc/85/72/64/1073857264.db2.gz RFFRSPMMVASALU-QWRGUYRKSA-N 1 0 412.412 1.650 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cc(F)c(F)cc3Cl)CC2)C1 ZINC000673886062 1073857688 /nfs/dbraw/zinc/85/76/88/1073857688.db2.gz APDRBDHLDSDEPW-LBPRGKRZSA-N 1 0 400.857 1.795 20 0 HDADRO CCCn1c(CCC(=O)N2CC[NH2+]C(C)(C)C2)nc2cc(S(N)(=O)=O)ccc21 ZINC000673907576 1073874055 /nfs/dbraw/zinc/87/40/55/1073874055.db2.gz BLAIJFHYPDGWJY-UHFFFAOYSA-N 1 0 407.540 1.237 20 0 HDADRO CCn1c2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cc2[nH]c(=O)c1=O ZINC000014520319 1073901396 /nfs/dbraw/zinc/90/13/96/1073901396.db2.gz MKTGEKIXKDELSQ-UHFFFAOYSA-N 1 0 408.462 1.109 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1=O ZINC000673930102 1073903074 /nfs/dbraw/zinc/90/30/74/1073903074.db2.gz FLLLWMXNXXHPAQ-DIFFPNOSSA-N 1 0 410.268 1.988 20 0 HDADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2nc3n(n2)CCCN3)CC1 ZINC000673926471 1073906718 /nfs/dbraw/zinc/90/67/18/1073906718.db2.gz WQJZGBTZULXEOV-AWEZNQCLSA-N 1 0 401.490 1.123 20 0 HDADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000670432457 1073927185 /nfs/dbraw/zinc/92/71/85/1073927185.db2.gz SLJWQYKKXPFXND-DFQSSKMNSA-N 1 0 403.523 1.013 20 0 HDADRO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000670432677 1073932002 /nfs/dbraw/zinc/93/20/02/1073932002.db2.gz KJXGVUILBZOVKK-FXAWDEMLSA-N 1 0 403.523 1.013 20 0 HDADRO CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000673957329 1073938012 /nfs/dbraw/zinc/93/80/12/1073938012.db2.gz AIMZLNAXPMITCT-SCLBCKFNSA-N 1 0 413.565 1.110 20 0 HDADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000429175311 1073947327 /nfs/dbraw/zinc/94/73/27/1073947327.db2.gz SPNUWLJUNWCAFS-HSZRJFAPSA-N 1 0 424.549 1.724 20 0 HDADRO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NC[C@H]1CS(=O)(=O)CCO1 ZINC000509179463 1073948431 /nfs/dbraw/zinc/94/84/31/1073948431.db2.gz AZSZBCXUGDBWPY-IBGZPJMESA-N 1 0 409.552 1.675 20 0 HDADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000429176933 1073957136 /nfs/dbraw/zinc/95/71/36/1073957136.db2.gz PXNKTXTZWFPDKX-ZWKOTPCHSA-N 1 0 414.472 1.901 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000509181205 1073959226 /nfs/dbraw/zinc/95/92/26/1073959226.db2.gz CLJQTVYCUYOPPY-OAHLLOKOSA-N 1 0 419.613 1.972 20 0 HDADRO C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C(=O)N3CCC[C@@H](O)C3)cc2)C[C@H]1C ZINC000670443583 1073976759 /nfs/dbraw/zinc/97/67/59/1073976759.db2.gz ABGKPZDRWHCEDZ-WSTZPKSXSA-N 1 0 417.550 1.295 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(CC(=O)NC[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000543520997 1073988322 /nfs/dbraw/zinc/98/83/22/1073988322.db2.gz ISSGNDIIEKPWTN-LJQANCHMSA-N 1 0 416.566 1.292 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2)c1 ZINC000673985467 1074001206 /nfs/dbraw/zinc/00/12/06/1074001206.db2.gz TXCDCKKHJCSVFF-ORYQWCPZSA-N 1 0 418.538 1.523 20 0 HDADRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@H](NC(=O)NC)C2)cc1OC ZINC000466583115 1074022737 /nfs/dbraw/zinc/02/27/37/1074022737.db2.gz DFLUEDGVYUBBGZ-KRWDZBQOSA-N 1 0 421.542 1.629 20 0 HDADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)NC1CCN(c2cccnn2)CC1 ZINC000429191438 1074034145 /nfs/dbraw/zinc/03/41/45/1074034145.db2.gz GYZYRBAGVMKSFN-PMACEKPBSA-N 1 0 410.522 1.380 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)CC1 ZINC000509192567 1074035344 /nfs/dbraw/zinc/03/53/44/1074035344.db2.gz BOGIUNYDQCYWNT-UHFFFAOYSA-N 1 0 419.526 1.415 20 0 HDADRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)C1 ZINC000543535622 1074040511 /nfs/dbraw/zinc/04/05/11/1074040511.db2.gz YBWKZUPPODCSJT-KRWDZBQOSA-N 1 0 415.538 1.779 20 0 HDADRO O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc2c1OCO2 ZINC000509195853 1074044665 /nfs/dbraw/zinc/04/46/65/1074044665.db2.gz LPBAOVSQQPIZHO-DLBZAZTESA-N 1 0 404.488 1.577 20 0 HDADRO CCOC(=O)[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CCO1 ZINC001649123321 1074054113 /nfs/dbraw/zinc/05/41/13/1074054113.db2.gz VHTHEPKEABXXLI-UEXGIBASSA-N 1 0 406.527 1.415 20 0 HDADRO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000228950848 1074064453 /nfs/dbraw/zinc/06/44/53/1074064453.db2.gz ZZVKZGZMBGYQFZ-SJLPKXTDSA-N 1 0 406.502 1.284 20 0 HDADRO CC(C)[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccc(F)cc1 ZINC000506829592 1074066729 /nfs/dbraw/zinc/06/67/29/1074066729.db2.gz BLEXCJBJGXFKLR-UHFFFAOYSA-N 1 0 420.529 1.039 20 0 HDADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000543559476 1074091139 /nfs/dbraw/zinc/09/11/39/1074091139.db2.gz SXIMTWBCLLJDIF-HOTGVXAUSA-N 1 0 408.524 1.055 20 0 HDADRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000543557253 1074094106 /nfs/dbraw/zinc/09/41/06/1074094106.db2.gz RLMYVKICVDGBEC-MRXNPFEDSA-N 1 0 423.558 1.821 20 0 HDADRO CC[C@@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)Oc1ccccc1F ZINC000674030527 1074099014 /nfs/dbraw/zinc/09/90/14/1074099014.db2.gz KSMMUTCEVHNJTL-ROUUACIJSA-N 1 0 408.518 1.689 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)CC1 ZINC000674033112 1074102781 /nfs/dbraw/zinc/10/27/81/1074102781.db2.gz UOCOPAFTGVXJJD-LJQANCHMSA-N 1 0 415.582 1.864 20 0 HDADRO C[N@H+](CCN1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000674035046 1074105786 /nfs/dbraw/zinc/10/57/86/1074105786.db2.gz IEMNIDWFSTYYSO-UHFFFAOYSA-N 1 0 410.584 1.269 20 0 HDADRO CC(C)Cc1ncnc(NCC2CC[NH+](CCO)CC2)c1I ZINC000429211479 1074133028 /nfs/dbraw/zinc/13/30/28/1074133028.db2.gz LLVZUQQXSOWTGM-UHFFFAOYSA-N 1 0 418.323 2.396 20 0 HDADRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C(=O)Nc1cccnc1N1CCCCC1 ZINC000509210358 1074135053 /nfs/dbraw/zinc/13/50/53/1074135053.db2.gz VKTQJSGAEJHRLR-QGZVFWFLSA-N 1 0 403.527 1.364 20 0 HDADRO O=C(Cn1cc(C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)cn1)NC1CCCC1 ZINC001168752388 1074160488 /nfs/dbraw/zinc/16/04/88/1074160488.db2.gz IASGPBFFHRIVCC-FQEVSTJZSA-N 1 0 413.497 1.738 20 0 HDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000674090102 1074180653 /nfs/dbraw/zinc/18/06/53/1074180653.db2.gz PHNFKRCNAWBOIZ-KRWDZBQOSA-N 1 0 403.433 1.705 20 0 HDADRO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCCCN2CCC[N@H+](C)CC2)CCCC1 ZINC000674093254 1074181224 /nfs/dbraw/zinc/18/12/24/1074181224.db2.gz XWTLMZMOYAKRHI-UHFFFAOYSA-N 1 0 418.586 1.223 20 0 HDADRO Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2)nc(C)n1 ZINC000674159967 1074195701 /nfs/dbraw/zinc/19/57/01/1074195701.db2.gz UFFSIBJGFPTCSF-LJQANCHMSA-N 1 0 415.586 1.530 20 0 HDADRO COc1cc(CN2CCN(C(=O)N[C@H]3CCC[N@H+](C)C3)CC2)cc(OC)c1OC ZINC000674148662 1074198731 /nfs/dbraw/zinc/19/87/31/1074198731.db2.gz PPCVXWISYDJJSP-KRWDZBQOSA-N 1 0 406.527 1.634 20 0 HDADRO Cc1ccc([C@H](CNC(=O)CNS(=O)(=O)c2ccccc2N)[NH+]2CCCC2)o1 ZINC000670468569 1074203982 /nfs/dbraw/zinc/20/39/82/1074203982.db2.gz ZRPZUDLWKUIJPP-INIZCTEOSA-N 1 0 406.508 1.402 20 0 HDADRO CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000674192348 1074206564 /nfs/dbraw/zinc/20/65/64/1074206564.db2.gz ANRVMEZBXVFOII-KRWDZBQOSA-N 1 0 408.524 1.377 20 0 HDADRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C(=O)N1CCC[C@H](CCO)C1 ZINC000674206019 1074221637 /nfs/dbraw/zinc/22/16/37/1074221637.db2.gz NLCLYOXLCLTYTE-GOSISDBHSA-N 1 0 414.550 1.778 20 0 HDADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CCO)C2)c1 ZINC000674206517 1074222466 /nfs/dbraw/zinc/22/24/66/1074222466.db2.gz XQJIIQLAFDGYHR-KRWDZBQOSA-N 1 0 418.538 1.318 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)C(=O)N1CCCC[C@H]1C ZINC000674200528 1074231583 /nfs/dbraw/zinc/23/15/83/1074231583.db2.gz XTVDPBAFWXPGAF-SJORKVTESA-N 1 0 418.538 1.861 20 0 HDADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)[NH+](C)C ZINC000674244182 1074242263 /nfs/dbraw/zinc/24/22/63/1074242263.db2.gz HKSBVRCCQAYYCX-LBPRGKRZSA-N 1 0 404.330 1.232 20 0 HDADRO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)[NH+](C)C ZINC000674245033 1074242335 /nfs/dbraw/zinc/24/23/35/1074242335.db2.gz YVOUDWAXNNYGAL-JTQLQIEISA-N 1 0 410.359 1.294 20 0 HDADRO C[C@@H](C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)[NH+](C)C ZINC000674283746 1074255704 /nfs/dbraw/zinc/25/57/04/1074255704.db2.gz DRXNZURAUYZSOS-ZDUSSCGKSA-N 1 0 402.417 1.618 20 0 HDADRO COCC[NH+]1CCC(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 ZINC000140317795 1074256459 /nfs/dbraw/zinc/25/64/59/1074256459.db2.gz NIRRGEDSSWSZEV-IAGOWNOFSA-N 1 0 405.543 1.605 20 0 HDADRO COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCC(OC)CC3)CC2=O)c(OC)c1 ZINC000674311638 1074269563 /nfs/dbraw/zinc/26/95/63/1074269563.db2.gz IMUSRDLICJGZSF-HNNXBMFYSA-N 1 0 405.495 1.284 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000674314260 1074269913 /nfs/dbraw/zinc/26/99/13/1074269913.db2.gz FUOWXRMTVBPHJH-UHFFFAOYSA-N 1 0 417.510 1.766 20 0 HDADRO COC1CC[NH+](CCNC(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)CC1 ZINC000674327803 1074277320 /nfs/dbraw/zinc/27/73/20/1074277320.db2.gz AUNUXDWMNYCDCV-OAQYLSRUSA-N 1 0 404.555 1.778 20 0 HDADRO COC1CC[NH+](CCNC(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 ZINC000674328284 1074277377 /nfs/dbraw/zinc/27/73/77/1074277377.db2.gz SPXCCHXZXJXTNS-LJQANCHMSA-N 1 0 404.511 1.714 20 0 HDADRO COC1CC[NH+](CCNC(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000674328816 1074278564 /nfs/dbraw/zinc/27/85/64/1074278564.db2.gz ZVWALPSQPPQBAN-HXUWFJFHSA-N 1 0 418.538 1.505 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CC1 ZINC000674321142 1074282567 /nfs/dbraw/zinc/28/25/67/1074282567.db2.gz PXQSCLFKPNPPKC-UHFFFAOYSA-N 1 0 416.522 1.525 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC1 ZINC000674320775 1074282790 /nfs/dbraw/zinc/28/27/90/1074282790.db2.gz KTWHRVMPYWMWEX-UHFFFAOYSA-N 1 0 420.901 1.145 20 0 HDADRO C[C@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@H](C(F)(F)F)O1 ZINC000674333148 1074286732 /nfs/dbraw/zinc/28/67/32/1074286732.db2.gz WHWGALIZRJZRHI-DZGCQCFKSA-N 1 0 422.492 1.974 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccccc1NCc1cccnc1 ZINC000674361317 1074292823 /nfs/dbraw/zinc/29/28/23/1074292823.db2.gz IXFYKMLWTSYBPT-HXUWFJFHSA-N 1 0 409.534 1.830 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000674361768 1074293315 /nfs/dbraw/zinc/29/33/15/1074293315.db2.gz YHSQMHORBJXRFR-OAHLLOKOSA-N 1 0 411.524 1.117 20 0 HDADRO CC[C@@H](CNS(C)(=O)=O)NC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC001273133716 1074306806 /nfs/dbraw/zinc/30/68/06/1074306806.db2.gz NNOURARPSCQJPB-SJORKVTESA-N 1 0 411.568 1.997 20 0 HDADRO CN(C[C@H](O)CN1CCOCC1)C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000674392770 1074309277 /nfs/dbraw/zinc/30/92/77/1074309277.db2.gz GYEOASHIRAFRSF-FQEVSTJZSA-N 1 0 414.506 1.495 20 0 HDADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000674395779 1074310149 /nfs/dbraw/zinc/31/01/49/1074310149.db2.gz FOKQLHXKURRDOR-NHCUHLMSSA-N 1 0 404.555 1.233 20 0 HDADRO CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000674397628 1074311098 /nfs/dbraw/zinc/31/10/98/1074311098.db2.gz HAWHOXNTKSPJAR-RTWAWAEBSA-N 1 0 404.555 1.548 20 0 HDADRO O=C(Cn1nc(-c2ccccc2)oc1=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000674407470 1074312268 /nfs/dbraw/zinc/31/22/68/1074312268.db2.gz PIIXRTBWAUSODM-UHFFFAOYSA-N 1 0 421.501 1.437 20 0 HDADRO CN(CCN1CCCS1(=O)=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000674425315 1074327230 /nfs/dbraw/zinc/32/72/30/1074327230.db2.gz AKFBEYNVYIRDNA-UHFFFAOYSA-N 1 0 412.531 1.467 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000674427445 1074330149 /nfs/dbraw/zinc/33/01/49/1074330149.db2.gz RTUJCEAYZFEOIE-BTYIYWSLSA-N 1 0 414.510 1.066 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCN1CCCS1(=O)=O ZINC000674438357 1074334921 /nfs/dbraw/zinc/33/49/21/1074334921.db2.gz BLQYOKJNVLBLOZ-HKUYNNGSSA-N 1 0 408.568 1.574 20 0 HDADRO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)[NH+]2CCCC2)o1 ZINC000674429936 1074341063 /nfs/dbraw/zinc/34/10/63/1074341063.db2.gz ATBSRQZIACQDRS-VWKPWSFCSA-N 1 0 417.510 1.745 20 0 HDADRO 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C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000674668981 1074519882 /nfs/dbraw/zinc/51/98/82/1074519882.db2.gz IGIGGPNUVQDDHR-CRAIPNDOSA-N 1 0 409.552 1.253 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(CC)CCC[NH+](C)C)c1 ZINC000509234412 1074520746 /nfs/dbraw/zinc/52/07/46/1074520746.db2.gz NJLPBUPFXNXBGI-UHFFFAOYSA-N 1 0 405.586 1.679 20 0 HDADRO COc1cc(OC)cc(OCCCNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000674699982 1074528763 /nfs/dbraw/zinc/52/87/63/1074528763.db2.gz XWGADZKVRSTVOH-KRWDZBQOSA-N 1 0 420.554 1.940 20 0 HDADRO O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000674711348 1074537636 /nfs/dbraw/zinc/53/76/36/1074537636.db2.gz CDNLMLHLANRMEF-LJQANCHMSA-N 1 0 414.506 1.134 20 0 HDADRO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC000674758489 1074549959 /nfs/dbraw/zinc/54/99/59/1074549959.db2.gz MZZWCFWLFFYZME-VQIMIIECSA-N 1 0 415.987 1.663 20 0 HDADRO 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CN1CC[C@@H](C(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)CC1=O ZINC001128942918 1074706041 /nfs/dbraw/zinc/70/60/41/1074706041.db2.gz JYZAFIXIJULQTL-LJQANCHMSA-N 1 0 414.550 1.342 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)CCN2C1=O ZINC000675096217 1074708437 /nfs/dbraw/zinc/70/84/37/1074708437.db2.gz VPTDCLFLKWAFNR-WBVHZDCISA-N 1 0 419.551 1.638 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H]3CC[N@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000675098234 1074710260 /nfs/dbraw/zinc/71/02/60/1074710260.db2.gz WHDJTQXCKCITAD-RBUKOAKNSA-N 1 0 413.522 1.229 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000477027633 1074710287 /nfs/dbraw/zinc/71/02/87/1074710287.db2.gz LBNMDJXUGOZQPU-ICSRJNTNSA-N 1 0 404.555 1.331 20 0 HDADRO O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000532341121 1074711803 /nfs/dbraw/zinc/71/18/03/1074711803.db2.gz DBLWJMPXVAMGGZ-UHFFFAOYSA-N 1 0 411.506 1.631 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000477029283 1074716722 /nfs/dbraw/zinc/71/67/22/1074716722.db2.gz AVONXRBLLXCKHX-INIZCTEOSA-N 1 0 420.529 1.527 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)CCN2C1=O ZINC000675093191 1074717318 /nfs/dbraw/zinc/71/73/18/1074717318.db2.gz BOKLAZSZBSBZBZ-LJQANCHMSA-N 1 0 413.522 1.577 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)N[C@H](C[NH+]3CCCCC3)c3ccccc3)CCN2C1=O ZINC000675102385 1074719203 /nfs/dbraw/zinc/71/92/03/1074719203.db2.gz YCBCZLKAHCQCBE-MOPGFXCFSA-N 1 0 413.522 1.892 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)CCN2C1=O ZINC000675106759 1074721564 /nfs/dbraw/zinc/72/15/64/1074721564.db2.gz NMHKOPCIGRYXHM-FUHWJXTLSA-N 1 0 401.511 1.575 20 0 HDADRO C[NH+](C)CCCN(C(=O)CCCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000675143813 1074742257 /nfs/dbraw/zinc/74/22/57/1074742257.db2.gz FAEYEMWKCHVMPF-QGZVFWFLSA-N 1 0 406.552 1.784 20 0 HDADRO Cc1cc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)ccc1N1CCNC1=O ZINC000675144544 1074743518 /nfs/dbraw/zinc/74/35/18/1074743518.db2.gz POBHAIZDCJNTSZ-KRWDZBQOSA-N 1 0 422.551 1.106 20 0 HDADRO Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(C)CC3([NH+](C)C)CCC3)C2=O)cc1 ZINC000675162448 1074745726 /nfs/dbraw/zinc/74/57/26/1074745726.db2.gz DXSZIPHWJAALGX-SFHVURJKSA-N 1 0 400.523 1.155 20 0 HDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCc3ccc4c(c3)OCCO4)C2)CC1 ZINC000675190058 1074752176 /nfs/dbraw/zinc/75/21/76/1074752176.db2.gz HEPUWKHZTDVLPR-GOSISDBHSA-N 1 0 402.539 1.858 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 ZINC000675189683 1074752234 /nfs/dbraw/zinc/75/22/34/1074752234.db2.gz CLJIHXOMQJOGCE-KRWDZBQOSA-N 1 0 412.556 1.285 20 0 HDADRO Cc1c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000675188288 1074752303 /nfs/dbraw/zinc/75/23/03/1074752303.db2.gz JJKLZSFFYMNHMF-MJGOQNOKSA-N 1 0 408.506 1.447 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000675192659 1074753210 /nfs/dbraw/zinc/75/32/10/1074753210.db2.gz IYGKMLNLQQUJLP-BEFAXECRSA-N 1 0 404.511 1.983 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000675192661 1074753225 /nfs/dbraw/zinc/75/32/25/1074753225.db2.gz IYGKMLNLQQUJLP-HNAYVOBHSA-N 1 0 404.511 1.983 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000675192660 1074753330 /nfs/dbraw/zinc/75/33/30/1074753330.db2.gz IYGKMLNLQQUJLP-DNVCBOLYSA-N 1 0 404.511 1.983 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000675193988 1074753397 /nfs/dbraw/zinc/75/33/97/1074753397.db2.gz MLSFRCKCOSFQQO-HNNXBMFYSA-N 1 0 417.514 1.695 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)nn1CCCOc1ccc(F)cc1 ZINC000504112416 1074755201 /nfs/dbraw/zinc/75/52/01/1074755201.db2.gz UREMESWTAPCDLU-HNNXBMFYSA-N 1 0 405.474 1.805 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000675196310 1074755293 /nfs/dbraw/zinc/75/52/93/1074755293.db2.gz CVFHGJWEGKLYCW-SFHVURJKSA-N 1 0 408.568 1.967 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC000675197627 1074755314 /nfs/dbraw/zinc/75/53/14/1074755314.db2.gz QBIQXKDGBLGYSE-LJQANCHMSA-N 1 0 402.539 1.966 20 0 HDADRO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429323449 1074757740 /nfs/dbraw/zinc/75/77/40/1074757740.db2.gz WIJKIHADPXAKLO-OXQOHEQNSA-N 1 0 407.470 1.831 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000477054424 1074758047 /nfs/dbraw/zinc/75/80/47/1074758047.db2.gz FOWWLFHCVYHMFP-ZDUSSCGKSA-N 1 0 416.353 1.884 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000675194948 1074759088 /nfs/dbraw/zinc/75/90/88/1074759088.db2.gz SGHQYRIIJJNXFC-TZIWHRDSSA-N 1 0 413.566 1.994 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(F)cc4)C3=O)CC[C@H]21 ZINC000766100341 1074770584 /nfs/dbraw/zinc/77/05/84/1074770584.db2.gz ZXQIXSUTIUZWLG-ZVGUJKQYSA-N 1 0 402.470 1.535 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000477063248 1074774468 /nfs/dbraw/zinc/77/44/68/1074774468.db2.gz ZUSFHLPEPXEUCU-OAHLLOKOSA-N 1 0 410.509 1.892 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000675264972 1074774818 /nfs/dbraw/zinc/77/48/18/1074774818.db2.gz XJOAPHVOOKQHBP-MRXNPFEDSA-N 1 0 417.554 1.105 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCN1CCN(c2ccccc2)CC1 ZINC000477066196 1074775675 /nfs/dbraw/zinc/77/56/75/1074775675.db2.gz LUCTZNUTYBDINI-LJQANCHMSA-N 1 0 403.571 1.114 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000477067348 1074776910 /nfs/dbraw/zinc/77/69/10/1074776910.db2.gz NKLGONZJFIDGEN-VQIMIIECSA-N 1 0 408.518 1.162 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000477081322 1074788049 /nfs/dbraw/zinc/78/80/49/1074788049.db2.gz LIHTUWAEFHQNMG-VQIMIIECSA-N 1 0 424.973 1.676 20 0 HDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000675294367 1074790131 /nfs/dbraw/zinc/79/01/31/1074790131.db2.gz FWJMFBKTKYLLHC-BLLLJJGKSA-N 1 0 408.449 1.033 20 0 HDADRO C[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC[NH+](C)CC1 ZINC000675307062 1074795764 /nfs/dbraw/zinc/79/57/64/1074795764.db2.gz UAKWTCNDUGFMLV-DYVFJYSZSA-N 1 0 406.914 1.408 20 0 HDADRO CC(C)c1ccnc(N2CCN(C(=O)C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)n1 ZINC000670503287 1074817576 /nfs/dbraw/zinc/81/75/76/1074817576.db2.gz FYXLWKYHAVRZKB-HXUWFJFHSA-N 1 0 424.549 1.668 20 0 HDADRO COc1cccc(N2C[C@H](NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC2=O)c1 ZINC000670504043 1074820026 /nfs/dbraw/zinc/82/00/26/1074820026.db2.gz KUICHKZZOJBNKG-MRXNPFEDSA-N 1 0 404.511 1.152 20 0 HDADRO [NH3+]Cc1nc(=O)[n-]n1-c1ncc2c(c1F)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001168756138 1075090912 /nfs/dbraw/zinc/09/09/12/1075090912.db2.gz MECQHNZJBYHNLB-UHFFFAOYSA-N 1 0 410.453 1.987 20 0 HDADRO O=C(CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)NC1CCCC1 ZINC000143203386 1075094519 /nfs/dbraw/zinc/09/45/19/1075094519.db2.gz OYJXNQOARJZUBL-UHFFFAOYSA-N 1 0 404.536 1.349 20 0 HDADRO CCCCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000469923929 1075096367 /nfs/dbraw/zinc/09/63/67/1075096367.db2.gz ABSLMFIJSUWDSZ-UHFFFAOYSA-N 1 0 422.555 2.509 20 0 HDADRO CCCC[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)NC)cc1)C(=O)Nc1cc(C)on1 ZINC000645079648 1075103574 /nfs/dbraw/zinc/10/35/74/1075103574.db2.gz GRXTZEWONUTPNX-QGZVFWFLSA-N 1 0 408.524 2.319 20 0 HDADRO Cc1ncsc1CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000509328876 1075104663 /nfs/dbraw/zinc/10/46/63/1075104663.db2.gz VNXWSSAHYPDFDS-UHFFFAOYSA-N 1 0 408.593 1.899 20 0 HDADRO CN1CCC(CNC(=O)NCCn2c3ccccc3[nH]c2=O)([NH+]2CCCCC2)CC1 ZINC000429336464 1075108689 /nfs/dbraw/zinc/10/86/89/1075108689.db2.gz VHNPMUZDYZPSKV-UHFFFAOYSA-N 1 0 414.554 1.991 20 0 HDADRO Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)no1 ZINC000480797366 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O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000484187527 1075232822 /nfs/dbraw/zinc/23/28/22/1075232822.db2.gz DRVGETIVEQXBAR-UHFFFAOYSA-N 1 0 416.913 1.909 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1)c1ccc(F)cc1 ZINC000675594967 1075232999 /nfs/dbraw/zinc/23/29/99/1075232999.db2.gz RWZKYTZTBVAYTC-QZTJIDSGSA-N 1 0 403.458 1.559 20 0 HDADRO CCN1CCN(c2ccc(C(=O)N(C)CC(=O)Nc3cc(C)on3)cc2F)CC1 ZINC000522202582 1075234337 /nfs/dbraw/zinc/23/43/37/1075234337.db2.gz RQXJPCCWWHORPP-UHFFFAOYSA-N 1 0 403.458 1.975 20 0 HDADRO COCCn1c(N)c(C(=O)C[N@@H+]2CCc3ccccc3[C@H]2C(C)C)c(=O)[nH]c1=O ZINC000675663584 1075250976 /nfs/dbraw/zinc/25/09/76/1075250976.db2.gz BMIUFNWXASHTJB-GOSISDBHSA-N 1 0 400.479 1.616 20 0 HDADRO COC(=O)CC[C@H](NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)C(=O)OC ZINC000470670571 1075250944 /nfs/dbraw/zinc/25/09/44/1075250944.db2.gz WBHBDPPGMSQUEC-SFHVURJKSA-N 1 0 405.495 1.442 20 0 HDADRO Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000675665503 1075251748 /nfs/dbraw/zinc/25/17/48/1075251748.db2.gz AZAZZISHMKMQJJ-UHFFFAOYSA-N 1 0 417.535 1.820 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)NCc3ccc(S(C)(=O)=O)cc3)CC2)CC1 ZINC000543643490 1075257327 /nfs/dbraw/zinc/25/73/27/1075257327.db2.gz YEQAQDSGYMCOLM-UHFFFAOYSA-N 1 0 422.595 1.649 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2nc3c(s2)COCC3)C[N@@H+]1Cc1ccccc1 ZINC000466695357 1075261973 /nfs/dbraw/zinc/26/19/73/1075261973.db2.gz ITGGJMAEPMMKRI-DZGCQCFKSA-N 1 0 400.504 1.934 20 0 HDADRO CC(=O)N[C@@H](C(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)C(C)C ZINC001129045015 1075262548 /nfs/dbraw/zinc/26/25/48/1075262548.db2.gz JAHLIUJOEMZHHA-OAQYLSRUSA-N 1 0 416.566 1.635 20 0 HDADRO CO[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccc(Cl)cc1 ZINC000427543112 1075262584 /nfs/dbraw/zinc/26/25/84/1075262584.db2.gz JRFZRJJTZIPQLM-KRWDZBQOSA-N 1 0 419.913 2.246 20 0 HDADRO Cc1cc2cccnc2c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000675760797 1075266381 /nfs/dbraw/zinc/26/63/81/1075266381.db2.gz WJMZYKGILKLYEU-QGZVFWFLSA-N 1 0 402.520 1.470 20 0 HDADRO COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)[C@H]1C(C)C ZINC000429374936 1075266434 /nfs/dbraw/zinc/26/64/34/1075266434.db2.gz AVBUWRASSSJINR-RYRKJORJSA-N 1 0 405.495 1.472 20 0 HDADRO CS(=O)(=O)N1CCC([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000675800632 1075270625 /nfs/dbraw/zinc/27/06/25/1075270625.db2.gz SOOXHPFZSLMRQS-UHFFFAOYSA-N 1 0 418.357 1.583 20 0 HDADRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1CC(=O)N1CCNC(=O)C1 ZINC000429379758 1075270696 /nfs/dbraw/zinc/27/06/96/1075270696.db2.gz AROIDOJNGHQOEB-OAQYLSRUSA-N 1 0 400.567 1.610 20 0 HDADRO O=C(CCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCN(c2ccccc2)CC1 ZINC000675786137 1075271494 /nfs/dbraw/zinc/27/14/94/1075271494.db2.gz MDMILESPBKZSRN-RTWAWAEBSA-N 1 0 414.550 1.173 20 0 HDADRO CCOC(=O)Cc1nnc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)s1 ZINC000572401694 1075271895 /nfs/dbraw/zinc/27/18/95/1075271895.db2.gz HBOKFIXLOIKPLD-HIFRSBDPSA-N 1 0 403.508 2.428 20 0 HDADRO C[C@H]1CN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC[N@H+](Cc2ccccc2)C1 ZINC001129063910 1075272314 /nfs/dbraw/zinc/27/23/14/1075272314.db2.gz LYZHUUGQWHWXLA-MRXNPFEDSA-N 1 0 421.501 1.226 20 0 HDADRO CO[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccc(Cl)cc1 ZINC000427543113 1075272498 /nfs/dbraw/zinc/27/24/98/1075272498.db2.gz JRFZRJJTZIPQLM-QGZVFWFLSA-N 1 0 419.913 2.246 20 0 HDADRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000675816691 1075276055 /nfs/dbraw/zinc/27/60/55/1075276055.db2.gz FGAGVUSNGUUWDG-INIZCTEOSA-N 1 0 411.572 1.444 20 0 HDADRO Cc1c([C@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)nnn1-c1ccc(C)cc1 ZINC000675817043 1075276434 /nfs/dbraw/zinc/27/64/34/1075276434.db2.gz LVWMBBAWNFWDDU-INIZCTEOSA-N 1 0 406.556 1.112 20 0 HDADRO CS(=O)(=O)N1CCC([NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000675830843 1075279660 /nfs/dbraw/zinc/27/96/60/1075279660.db2.gz KSBYOLHAEARCRC-UHFFFAOYSA-N 1 0 415.003 1.866 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)Cn3cnc4c3CCCC4)c2)C1 ZINC000543647399 1075280375 /nfs/dbraw/zinc/28/03/75/1075280375.db2.gz WARFYLWIGCJQBD-IBGZPJMESA-N 1 0 409.534 1.776 20 0 HDADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN(c3cccs3)CC2)c1 ZINC000466705543 1075285177 /nfs/dbraw/zinc/28/51/77/1075285177.db2.gz HETSWHDEJKWXDP-UHFFFAOYSA-N 1 0 402.520 1.976 20 0 HDADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000675895867 1075287746 /nfs/dbraw/zinc/28/77/46/1075287746.db2.gz JQITYTYARQRXDD-SLFFLAALSA-N 1 0 405.564 1.924 20 0 HDADRO COc1ccc(C)cc1NC(=O)CNC(=O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429383393 1075294650 /nfs/dbraw/zinc/29/46/50/1075294650.db2.gz YMUVMJPTHKWZEY-QGZVFWFLSA-N 1 0 402.539 1.865 20 0 HDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)C[N@@H+]1Cc1ccccc1 ZINC000466706663 1075295273 /nfs/dbraw/zinc/29/52/73/1075295273.db2.gz QZXZWRASICWPPB-YJBOKZPZSA-N 1 0 409.490 1.501 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000466706462 1075299696 /nfs/dbraw/zinc/29/96/96/1075299696.db2.gz WDGGUZRTCMGAHO-VQIMIIECSA-N 1 0 404.474 1.985 20 0 HDADRO Cc1ccc(NCCCNC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)nc1 ZINC000548116945 1075302721 /nfs/dbraw/zinc/30/27/21/1075302721.db2.gz NZTWZAFETOHBSH-PMACEKPBSA-N 1 0 402.587 2.392 20 0 HDADRO C[NH+](C)CCCNC(=S)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000731319764 1075307370 /nfs/dbraw/zinc/30/73/70/1075307370.db2.gz HAPUQGSBIJLRAO-UHFFFAOYSA-N 1 0 403.596 1.410 20 0 HDADRO COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000556181630 1075310498 /nfs/dbraw/zinc/31/04/98/1075310498.db2.gz DLHDFYXKHAVWIC-UHFFFAOYSA-N 1 0 400.266 2.337 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000675952725 1075313073 /nfs/dbraw/zinc/31/30/73/1075313073.db2.gz IOALPYPFPZYONN-INIZCTEOSA-N 1 0 413.360 1.808 20 0 HDADRO CC[C@H]1CN(C(=O)C(=O)NCC[N@H+](CC)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000804221036 1075316807 /nfs/dbraw/zinc/31/68/07/1075316807.db2.gz GSCBJJDVZUKNHS-DOTOQJQBSA-N 1 0 410.559 1.739 20 0 HDADRO COc1cccc2c1OCC[C@@H]2NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000675975998 1075317971 /nfs/dbraw/zinc/31/79/71/1075317971.db2.gz CNSBWOQMTUMQAL-DLBZAZTESA-N 1 0 402.495 1.467 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 ZINC000675981318 1075318807 /nfs/dbraw/zinc/31/88/07/1075318807.db2.gz KQMPUINXOYLSSZ-APWZRJJASA-N 1 0 421.492 1.492 20 0 HDADRO Cn1ccnc1C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000675996170 1075320135 /nfs/dbraw/zinc/32/01/35/1075320135.db2.gz GRKQKMVLJZVGKW-VQTJNVASSA-N 1 0 424.549 1.652 20 0 HDADRO CCOC(=O)c1cn(C)nc1NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000541452972 1075321684 /nfs/dbraw/zinc/32/16/84/1075321684.db2.gz QDTGITPCPFOWCC-SFHVURJKSA-N 1 0 414.510 1.707 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000676002721 1075321995 /nfs/dbraw/zinc/32/19/95/1075321995.db2.gz VQLVKWHTDNMMHX-KRWDZBQOSA-N 1 0 411.554 1.914 20 0 HDADRO CCOC(=O)c1cn(C)nc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000543313656 1075322521 /nfs/dbraw/zinc/32/25/21/1075322521.db2.gz KEPKWGYUGRYRSW-WMZOPIPTSA-N 1 0 415.494 1.601 20 0 HDADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000676020106 1075326310 /nfs/dbraw/zinc/32/63/10/1075326310.db2.gz HQXYPYZXWWZXPI-OFNKIYASSA-N 1 0 414.550 1.856 20 0 HDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000671686120 1075328061 /nfs/dbraw/zinc/32/80/61/1075328061.db2.gz MYZZHKBVYRVBDD-OAHLLOKOSA-N 1 0 420.311 1.651 20 0 HDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000676034427 1075331263 /nfs/dbraw/zinc/33/12/63/1075331263.db2.gz FDLBONYEETYECR-PMACEKPBSA-N 1 0 405.587 1.732 20 0 HDADRO C[C@@H]1C[C@@H](CCNC(=O)C(=O)NCCOc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000804078049 1075338389 /nfs/dbraw/zinc/33/83/89/1075338389.db2.gz UEVMNATTYOJAJG-UYAOXDASSA-N 1 0 410.518 1.994 20 0 HDADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(COC3CCOCC3)c2)CC1 ZINC000676044622 1075339469 /nfs/dbraw/zinc/33/94/69/1075339469.db2.gz FPBCFHUNHFWEMT-NRFANRHFSA-N 1 0 415.534 1.937 20 0 HDADRO O=C(N[C@H]1CCN(C2CCCCC2)C1=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000676049945 1075340924 /nfs/dbraw/zinc/34/09/24/1075340924.db2.gz KHZCHIBAANBUOL-XUVXKRRUSA-N 1 0 406.571 1.987 20 0 HDADRO COC(=O)[C@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@H](C(=O)OC)C1 ZINC000509380159 1075341222 /nfs/dbraw/zinc/34/12/22/1075341222.db2.gz NEDVKJFJIIIWHM-OALUTQOASA-N 1 0 417.506 1.001 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cccc(COC2CCOCC2)c1 ZINC000676050876 1075341325 /nfs/dbraw/zinc/34/13/25/1075341325.db2.gz CPXQNXYSGXAVPZ-OAQYLSRUSA-N 1 0 417.550 1.519 20 0 HDADRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1 ZINC000676069448 1075342058 /nfs/dbraw/zinc/34/20/58/1075342058.db2.gz OSCJMVJZKUDMAO-IAGOWNOFSA-N 1 0 417.597 1.408 20 0 HDADRO Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000446813979 1075348438 /nfs/dbraw/zinc/34/84/38/1075348438.db2.gz UDTWXBYBEOFMLN-RBUKOAKNSA-N 1 0 413.522 2.198 20 0 HDADRO CCO[C@@H](CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CCCC1 ZINC000427541523 1075349794 /nfs/dbraw/zinc/34/97/94/1075349794.db2.gz HIBNUGHKGNFNAK-SFHVURJKSA-N 1 0 405.543 2.190 20 0 HDADRO Cc1cc(Cl)ccc1OCCCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676092786 1075351410 /nfs/dbraw/zinc/35/14/10/1075351410.db2.gz RTWITHDBDIGHLP-UHFFFAOYSA-N 1 0 407.902 1.930 20 0 HDADRO CC(C)CC(=O)Nc1cccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000676092477 1075351823 /nfs/dbraw/zinc/35/18/23/1075351823.db2.gz JVCZAMUYEKUDNE-UHFFFAOYSA-N 1 0 414.510 1.684 20 0 HDADRO COC(=O)[C@@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@H](C(=O)OC)C1 ZINC000509381774 1075352089 /nfs/dbraw/zinc/35/20/89/1075352089.db2.gz ZGWSTUDWJVBDBV-MOPGFXCFSA-N 1 0 417.506 1.001 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(Oc3ccccc3)nc2)cn1 ZINC000676093509 1075353967 /nfs/dbraw/zinc/35/39/67/1075353967.db2.gz LVDSLNMKJMIQDF-UHFFFAOYSA-N 1 0 408.462 1.887 20 0 HDADRO CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000676094157 1075356950 /nfs/dbraw/zinc/35/69/50/1075356950.db2.gz RRIBPKZAEODXHG-CVEARBPZSA-N 1 0 412.494 1.749 20 0 HDADRO O=C(NCCCNC(=O)c1ccc(F)cc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095993 1075357070 /nfs/dbraw/zinc/35/70/70/1075357070.db2.gz ZMXJDRIOWKLBSO-UHFFFAOYSA-N 1 0 410.409 1.281 20 0 HDADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000731469588 1075358404 /nfs/dbraw/zinc/35/84/04/1075358404.db2.gz SQQOMMVDTCDPLU-INIZCTEOSA-N 1 0 419.503 1.434 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000676096550 1075359556 /nfs/dbraw/zinc/35/95/56/1075359556.db2.gz ZWBHKRUSGYTYNB-QGZVFWFLSA-N 1 0 424.848 1.781 20 0 HDADRO COc1cc(NC(=O)CC[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc(OC)c1OC 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/nfs/dbraw/zinc/36/64/08/1075366408.db2.gz NGIZOVKFBASFPQ-IBGZPJMESA-N 1 0 411.506 1.997 20 0 HDADRO O=C(Cn1nc(-c2ccccc2)oc1=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000676086852 1075369375 /nfs/dbraw/zinc/36/93/75/1075369375.db2.gz BFUCLISGPWWGIY-ZWKOTPCHSA-N 1 0 400.479 1.387 20 0 HDADRO O=C(NCc1ccccc1CN1CCOCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676088549 1075371055 /nfs/dbraw/zinc/37/10/55/1075371055.db2.gz AZBNKPXKISESOS-UHFFFAOYSA-N 1 0 420.473 1.354 20 0 HDADRO CC(C)[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000676089505 1075372950 /nfs/dbraw/zinc/37/29/50/1075372950.db2.gz IXLOKZABHVUWHL-LJQANCHMSA-N 1 0 415.494 1.668 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cccnc2OC2CCCC2)cn1 ZINC000676089150 1075373011 /nfs/dbraw/zinc/37/30/11/1075373011.db2.gz CRCVAHKZBZGORA-UHFFFAOYSA-N 1 0 400.483 1.416 20 0 HDADRO O=C(NCc1cccc(C(=O)NC2CC2)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676089320 1075373033 /nfs/dbraw/zinc/37/30/33/1075373033.db2.gz JKGREHQYEHDMHD-UHFFFAOYSA-N 1 0 404.430 1.414 20 0 HDADRO COc1cc(OC)c(OC)cc1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090426 1075374417 /nfs/dbraw/zinc/37/44/17/1075374417.db2.gz VFUYHAONBSPEBG-UHFFFAOYSA-N 1 0 411.418 1.548 20 0 HDADRO O=C(NCc1ccc(Cn2cccn2)cc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090472 1075374838 /nfs/dbraw/zinc/37/48/38/1075374838.db2.gz ZERCGUYGIVOIDL-UHFFFAOYSA-N 1 0 401.430 1.767 20 0 HDADRO C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H](C)O1 ZINC000676090509 1075374943 /nfs/dbraw/zinc/37/49/43/1075374943.db2.gz RILXGJKNCKHRMW-GASCZTMLSA-N 1 0 400.483 1.210 20 0 HDADRO Cn1ccnc1[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000676090372 1075375287 /nfs/dbraw/zinc/37/52/87/1075375287.db2.gz RYJOHGPQBYCSRS-QGZVFWFLSA-N 1 0 413.457 1.162 20 0 HDADRO CCN1C[C@@H](CN(C)C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)Oc2ccccc21 ZINC000676091952 1075375928 /nfs/dbraw/zinc/37/59/28/1075375928.db2.gz PUXNMPWMPAUVJT-GOSISDBHSA-N 1 0 420.473 1.952 20 0 HDADRO Cc1nc(CN2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)cs1 ZINC000676091944 1075375984 /nfs/dbraw/zinc/37/59/84/1075375984.db2.gz PIHZGLZTWHETNV-UHFFFAOYSA-N 1 0 411.491 1.315 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000676092012 1075375991 /nfs/dbraw/zinc/37/59/91/1075375991.db2.gz RLZKSVZPWKIJBZ-UHFFFAOYSA-N 1 0 416.445 1.655 20 0 HDADRO CCN1C[C@H](CN(C)C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)Oc2ccccc21 ZINC000676091953 1075375999 /nfs/dbraw/zinc/37/59/99/1075375999.db2.gz PUXNMPWMPAUVJT-SFHVURJKSA-N 1 0 420.473 1.952 20 0 HDADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)C1 ZINC000676091205 1075376983 /nfs/dbraw/zinc/37/69/83/1075376983.db2.gz DLHSJLFWXJOHFL-INIZCTEOSA-N 1 0 424.505 1.703 20 0 HDADRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000731530690 1075377092 /nfs/dbraw/zinc/37/70/92/1075377092.db2.gz IFKYRACDRHFWTJ-DOTOQJQBSA-N 1 0 418.494 1.711 20 0 HDADRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000731531658 1075377469 /nfs/dbraw/zinc/37/74/69/1075377469.db2.gz FPYVDHVUCWKWRA-JKSUJKDBSA-N 1 0 404.467 1.463 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[N@@H+]1C1CC1 ZINC000804088253 1075380233 /nfs/dbraw/zinc/38/02/33/1075380233.db2.gz BIZQUHKIQZONGC-FPCVCCKLSA-N 1 0 408.543 1.680 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cn1 ZINC000676100125 1075382117 /nfs/dbraw/zinc/38/21/17/1075382117.db2.gz LQAJHAJBWFOHSF-UHFFFAOYSA-N 1 0 421.461 1.669 20 0 HDADRO COC(=O)CNC(=O)CC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000429398278 1075385006 /nfs/dbraw/zinc/38/50/06/1075385006.db2.gz VEWMHAYTMODOKV-XLIONFOSSA-N 1 0 416.449 1.846 20 0 HDADRO CNS(=O)(=O)c1ccc(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000676130216 1075391189 /nfs/dbraw/zinc/39/11/89/1075391189.db2.gz BQKFPSKYUCJWNL-ROUUACIJSA-N 1 0 410.540 1.484 20 0 HDADRO CCS(=O)(=O)Nc1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1OC ZINC000527055373 1075395166 /nfs/dbraw/zinc/39/51/66/1075395166.db2.gz ZKEKVCOGECYTDG-UHFFFAOYSA-N 1 0 410.500 1.859 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)n2)cc1 ZINC000438721654 1075396361 /nfs/dbraw/zinc/39/63/61/1075396361.db2.gz HETSOSFIPMYGML-SFHVURJKSA-N 1 0 411.506 1.965 20 0 HDADRO Nc1nsc(N2CCN(C(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000676146768 1075398173 /nfs/dbraw/zinc/39/81/73/1075398173.db2.gz GJIVDBULGMSDNK-QGZVFWFLSA-N 1 0 415.567 1.864 20 0 HDADRO O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000676153677 1075403572 /nfs/dbraw/zinc/40/35/72/1075403572.db2.gz SJHBHRDHKVKCFX-WIYYLYMNSA-N 1 0 410.518 1.958 20 0 HDADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000731599508 1075406639 /nfs/dbraw/zinc/40/66/39/1075406639.db2.gz FLKYMCQKKKUFIP-HXUWFJFHSA-N 1 0 420.521 1.665 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)n2)cc1 ZINC000429977752 1075409506 /nfs/dbraw/zinc/40/95/06/1075409506.db2.gz BZFPLURPPHXWMC-UHFFFAOYSA-N 1 0 414.554 2.478 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@@H](N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000466719951 1075419725 /nfs/dbraw/zinc/41/97/25/1075419725.db2.gz SXEMFNSCXQBBGG-SJLPKXTDSA-N 1 0 420.579 1.742 20 0 HDADRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000676191488 1075420990 /nfs/dbraw/zinc/42/09/90/1075420990.db2.gz RVYDCOZQXNMGCG-ZMYBRWDISA-N 1 0 412.527 1.872 20 0 HDADRO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000676181993 1075423578 /nfs/dbraw/zinc/42/35/78/1075423578.db2.gz FCZRCOBFFQCSKI-IFMALSPDSA-N 1 0 411.502 1.900 20 0 HDADRO NS(=O)(=O)c1ccc(CCC(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC000676185948 1075424958 /nfs/dbraw/zinc/42/49/58/1075424958.db2.gz AAHMZDGXJINOTM-SFHVURJKSA-N 1 0 409.552 1.370 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434557252 1075426031 /nfs/dbraw/zinc/42/60/31/1075426031.db2.gz OKHZBJUYTKQYNV-HNNXBMFYSA-N 1 0 400.458 1.786 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2ccnc(C(=O)OC)c2)CC1 ZINC000429407460 1075441741 /nfs/dbraw/zinc/44/17/41/1075441741.db2.gz ZFMLSGFKZSXINZ-UHFFFAOYSA-N 1 0 404.511 1.569 20 0 HDADRO CC[C@@H](C)n1nc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000487684636 1075442228 /nfs/dbraw/zinc/44/22/28/1075442228.db2.gz MOJBUDVZJBTSOQ-DNVCBOLYSA-N 1 0 413.522 1.636 20 0 HDADRO C[C@@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1CN(C)CCO1 ZINC000676243049 1075444042 /nfs/dbraw/zinc/44/40/42/1075444042.db2.gz GVVAWQQKJJTSNI-IFMALSPDSA-N 1 0 417.598 1.603 20 0 HDADRO C[C@H](NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CN(C)CCO1 ZINC000676243046 1075444261 /nfs/dbraw/zinc/44/42/61/1075444261.db2.gz GSQPAOCAUOWYSU-FPOVZHCZSA-N 1 0 403.571 1.213 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000731642897 1075444520 /nfs/dbraw/zinc/44/45/20/1075444520.db2.gz KXXVDBPJWOYTLV-MRXNPFEDSA-N 1 0 407.458 1.497 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000731685559 1075445750 /nfs/dbraw/zinc/44/57/50/1075445750.db2.gz PXVZNFSEYGWYCB-UHFFFAOYSA-N 1 0 404.536 1.606 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000731686325 1075447097 /nfs/dbraw/zinc/44/70/97/1075447097.db2.gz ZBMAVLODGAAFQK-QGZVFWFLSA-N 1 0 412.556 1.461 20 0 HDADRO C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CN(C)CCO1 ZINC000676246460 1075447939 /nfs/dbraw/zinc/44/79/39/1075447939.db2.gz UKIAXOPFZJSAAX-XLIONFOSSA-N 1 0 423.989 1.870 20 0 HDADRO CN1CC[NH+](CC2CCN(C(=O)c3nn(-c4ccc(F)cc4)ccc3=O)CC2)CC1 ZINC000731687524 1075449412 /nfs/dbraw/zinc/44/94/12/1075449412.db2.gz VDWGRUMWYBHANG-UHFFFAOYSA-N 1 0 413.497 1.471 20 0 HDADRO COc1ccc([C@@H](CNc2nc(C)c(S(N)(=O)=O)s2)[NH+](C)C)cc1OC ZINC000570062333 1075454781 /nfs/dbraw/zinc/45/47/81/1075454781.db2.gz WEGDTMKVZYXWDS-GFCCVEGCSA-N 1 0 400.526 1.831 20 0 HDADRO COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1F ZINC000427138696 1075456180 /nfs/dbraw/zinc/45/61/80/1075456180.db2.gz XWFJVFPLZREOLX-ZDUSSCGKSA-N 1 0 403.458 2.113 20 0 HDADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000676263492 1075462910 /nfs/dbraw/zinc/46/29/10/1075462910.db2.gz DDNHVXVELUNYSA-OXJNMPFZSA-N 1 0 405.543 1.678 20 0 HDADRO O=C(NCc1nc(-c2cccc(F)c2)no1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000676267412 1075464456 /nfs/dbraw/zinc/46/44/56/1075464456.db2.gz XZFVTMYSQZAFTI-INIZCTEOSA-N 1 0 401.442 1.579 20 0 HDADRO C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000429411084 1075466910 /nfs/dbraw/zinc/46/69/10/1075466910.db2.gz SOYIGRNFWSHVGL-SFHVURJKSA-N 1 0 408.930 1.934 20 0 HDADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccc(OC(C)C)nn2)c1 ZINC000551454089 1075471774 /nfs/dbraw/zinc/47/17/74/1075471774.db2.gz ZGVAOWIEZCITGL-UHFFFAOYSA-N 1 0 415.494 1.801 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000676274869 1075475236 /nfs/dbraw/zinc/47/52/36/1075475236.db2.gz NNOJIHMLEOBYGC-OAHLLOKOSA-N 1 0 406.502 1.838 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CN(C)CCO1 ZINC000676278775 1075479594 /nfs/dbraw/zinc/47/95/94/1075479594.db2.gz JRFNSPPPYQLQJU-XLIONFOSSA-N 1 0 402.539 1.489 20 0 HDADRO COc1cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)ccc1OCC(=O)N1CCOCC1 ZINC000509399622 1075486877 /nfs/dbraw/zinc/48/68/77/1075486877.db2.gz ABGMOEGVAXDWTK-ZWKOTPCHSA-N 1 0 417.506 1.176 20 0 HDADRO CC[C@H](C)n1nc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000539479786 1075489476 /nfs/dbraw/zinc/48/94/76/1075489476.db2.gz QWIIBRZIYZFAAG-FUHWJXTLSA-N 1 0 404.559 1.730 20 0 HDADRO Cc1nc(C(=O)OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nn1-c1ccccc1 ZINC000731742968 1075490772 /nfs/dbraw/zinc/49/07/72/1075490772.db2.gz OJDUDZWPQDQLTL-GOSISDBHSA-N 1 0 415.494 1.206 20 0 HDADRO COc1cccc([C@@H](CNC(=O)C(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)[NH+](C)C)c1 ZINC000581967471 1075492270 /nfs/dbraw/zinc/49/22/70/1075492270.db2.gz SQSNFQQUWFIFGL-DNVCBOLYSA-N 1 0 413.522 2.529 20 0 HDADRO CC[C@H](C)n1nc(NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1C ZINC000549663095 1075493051 /nfs/dbraw/zinc/49/30/51/1075493051.db2.gz MQOXSMNKCDXNCA-INIZCTEOSA-N 1 0 412.538 2.487 20 0 HDADRO CC1=CC[N@H+](CCNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000547281889 1075497667 /nfs/dbraw/zinc/49/76/67/1075497667.db2.gz MYADONGWXVMMSK-UHFFFAOYSA-N 1 0 406.280 1.813 20 0 HDADRO COc1ccccc1CN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CC1 ZINC000427222136 1075505884 /nfs/dbraw/zinc/50/58/84/1075505884.db2.gz GIYJQXBQIYFCNY-UHFFFAOYSA-N 1 0 411.506 2.288 20 0 HDADRO C[C@H](c1ccc(NC(=O)C(=O)NC[C@H](O)Cc2ccccc2)cc1)N1CCOCC1 ZINC000509405236 1075512850 /nfs/dbraw/zinc/51/28/50/1075512850.db2.gz IORTYVMUVZOEOP-DYESRHJHSA-N 1 0 411.502 1.738 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000676343830 1075517092 /nfs/dbraw/zinc/51/70/92/1075517092.db2.gz BRHSKUXYFKRVCM-SFHVURJKSA-N 1 0 407.536 1.454 20 0 HDADRO CC(C)CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000676343515 1075517442 /nfs/dbraw/zinc/51/74/42/1075517442.db2.gz SFAKAFRZPBQSLZ-GOSISDBHSA-N 1 0 409.552 1.604 20 0 HDADRO CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NC1CC[NH+]([C@H]3CCOC3)CC1)C2=O ZINC000676345118 1075517980 /nfs/dbraw/zinc/51/79/80/1075517980.db2.gz WMQHCFOUNNPIBG-HRAATJIYSA-N 1 0 406.527 1.247 20 0 HDADRO O=C(COc1ccccc1)N1CCC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000676344885 1075518345 /nfs/dbraw/zinc/51/83/45/1075518345.db2.gz UNQUBPKOWAVRCX-AZUAARDMSA-N 1 0 415.534 1.674 20 0 HDADRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000676345281 1075519139 /nfs/dbraw/zinc/51/91/39/1075519139.db2.gz JBEVEMMDOWDFRA-SFHVURJKSA-N 1 0 409.552 1.537 20 0 HDADRO CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000676344421 1075519156 /nfs/dbraw/zinc/51/91/56/1075519156.db2.gz DAFGFIREBPQFHK-LJQANCHMSA-N 1 0 423.579 1.888 20 0 HDADRO CCN1C(=O)N=NC1C1CCN(CC[NH+]2CCC(C3N=NC(=O)N3CC)CC2)CC1 ZINC000676367834 1075526254 /nfs/dbraw/zinc/52/62/54/1075526254.db2.gz UPHKWOXNDFVQDK-UHFFFAOYSA-N 1 0 418.546 1.380 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000731833366 1075526312 /nfs/dbraw/zinc/52/63/12/1075526312.db2.gz BBFVXUFNFDZOAL-UHFFFAOYSA-N 1 0 409.530 1.981 20 0 HDADRO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000676354422 1075530512 /nfs/dbraw/zinc/53/05/12/1075530512.db2.gz OTMVCTIVXFHPLZ-UHFFFAOYSA-N 1 0 408.568 1.824 20 0 HDADRO C[C@@H]([NH2+]C1(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)CCOCC1)c1ccccc1 ZINC000429430701 1075530549 /nfs/dbraw/zinc/53/05/49/1075530549.db2.gz BDLMOQONCJGKNE-AEFFLSMTSA-N 1 0 400.523 1.949 20 0 HDADRO COc1nnc(NC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000482474356 1075531877 /nfs/dbraw/zinc/53/18/77/1075531877.db2.gz FCHQIEGUGHHBRH-INIZCTEOSA-N 1 0 402.524 1.971 20 0 HDADRO C[C@H](NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1)C1CC[NH+](C)CC1 ZINC000676359152 1075532504 /nfs/dbraw/zinc/53/25/04/1075532504.db2.gz LJVHGOABMNZGIS-RDJZCZTQSA-N 1 0 414.506 1.423 20 0 HDADRO COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000731851153 1075533713 /nfs/dbraw/zinc/53/37/13/1075533713.db2.gz JHQXUVOJBUPVFX-HVHJFMEUSA-N 1 0 412.508 1.605 20 0 HDADRO CN(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000676371365 1075536470 /nfs/dbraw/zinc/53/64/70/1075536470.db2.gz LYISWDWJPJMBHO-IBGZPJMESA-N 1 0 409.552 1.938 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000676393099 1075541210 /nfs/dbraw/zinc/54/12/10/1075541210.db2.gz LOVBUYQGUKAVOY-NEWSRXKRSA-N 1 0 421.538 1.338 20 0 HDADRO CC[C@@H](C)Oc1cc(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccn1 ZINC000676406843 1075545058 /nfs/dbraw/zinc/54/50/58/1075545058.db2.gz ZGPZQJPQBUNIGG-MJGOQNOKSA-N 1 0 417.554 1.114 20 0 HDADRO CNC(=O)COc1cccc(CC(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000676424258 1075546106 /nfs/dbraw/zinc/54/61/06/1075546106.db2.gz QLYDRHPOKDLTLN-UHFFFAOYSA-N 1 0 412.490 1.284 20 0 HDADRO C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(C2CC[NH+](CC3CC3)CC2)C1=O ZINC000804145283 1075546719 /nfs/dbraw/zinc/54/67/19/1075546719.db2.gz DIUQQARTBMFDRF-FQEVSTJZSA-N 1 0 405.520 1.732 20 0 HDADRO CN(CC[NH2+]Cc1cccc(NS(C)(=O)=O)c1)S(=O)(=O)c1cccs1 ZINC000676419089 1075548975 /nfs/dbraw/zinc/54/89/75/1075548975.db2.gz UIONDDZWBRGMOL-UHFFFAOYSA-N 1 0 403.551 1.530 20 0 HDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000731873949 1075549415 /nfs/dbraw/zinc/54/94/15/1075549415.db2.gz XWTWMMIKMPHGQF-HRAATJIYSA-N 1 0 402.495 1.453 20 0 HDADRO Cc1cc(S(=O)(=O)NCCNC(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)s1 ZINC000676445366 1075555185 /nfs/dbraw/zinc/55/51/85/1075555185.db2.gz YNLYIFVVJDLCNB-UHFFFAOYSA-N 1 0 414.557 1.223 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000804221761 1075555283 /nfs/dbraw/zinc/55/52/83/1075555283.db2.gz VGFFGCMZNFVQGS-CVEARBPZSA-N 1 0 422.545 1.811 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000676468337 1075562238 /nfs/dbraw/zinc/56/22/38/1075562238.db2.gz IOJYCPXHVAETSW-HNNXBMFYSA-N 1 0 402.586 1.817 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000509416442 1075569367 /nfs/dbraw/zinc/56/93/67/1075569367.db2.gz MJGOUOACKLFEID-UHFFFAOYSA-N 1 0 422.526 1.408 20 0 HDADRO CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000504531066 1075569816 /nfs/dbraw/zinc/56/98/16/1075569816.db2.gz AOMXHXKPCDBQPX-OALUTQOASA-N 1 0 417.579 1.364 20 0 HDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000676501180 1075569852 /nfs/dbraw/zinc/56/98/52/1075569852.db2.gz PIQANGCQKRITBW-DZGCQCFKSA-N 1 0 405.465 1.007 20 0 HDADRO COc1cc2c(cc1CNC(=O)N[C@@H]1CC[N@H+](CCN3CCOCC3)C1)O[C@H](C)C2 ZINC000676503284 1075570538 /nfs/dbraw/zinc/57/05/38/1075570538.db2.gz YJKCKZAJSBTCLT-VQIMIIECSA-N 1 0 418.538 1.224 20 0 HDADRO Brc1nc(Br)n(CN2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000751592636 1075572168 /nfs/dbraw/zinc/57/21/68/1075572168.db2.gz CFSQGIOIVJJRGH-SNVBAGLBSA-N 1 0 409.126 1.415 20 0 HDADRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)nc2)C1 ZINC000676516951 1075575655 /nfs/dbraw/zinc/57/56/55/1075575655.db2.gz QLURZUAKGVJQTJ-VQIMIIECSA-N 1 0 408.506 1.604 20 0 HDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000429444621 1075580131 /nfs/dbraw/zinc/58/01/31/1075580131.db2.gz HTJLCZQESWBWMN-HOTGVXAUSA-N 1 0 422.551 1.406 20 0 HDADRO COc1cc2c(cc1CNC(=O)N1CCN([C@H]3CCC[N@H+](C)C3)CC1)O[C@@H](C)C2 ZINC000676543777 1075581719 /nfs/dbraw/zinc/58/17/19/1075581719.db2.gz GKWDNGXXQGYOPP-LPHOPBHVSA-N 1 0 402.539 1.940 20 0 HDADRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)Cn3nc(-c4ccccc4)oc3=O)nc2)C1 ZINC000676530805 1075583155 /nfs/dbraw/zinc/58/31/55/1075583155.db2.gz FPSDULXERURMJQ-KRWDZBQOSA-N 1 0 408.462 1.677 20 0 HDADRO CN(C(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732005623 1075584950 /nfs/dbraw/zinc/58/49/50/1075584950.db2.gz FNDKIKROEKHSOE-UHFFFAOYSA-N 1 0 410.474 1.955 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)n1 ZINC000676551824 1075585514 /nfs/dbraw/zinc/58/55/14/1075585514.db2.gz YIRIWRBEJNCJHN-NXEZZACHSA-N 1 0 415.338 1.582 20 0 HDADRO CN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000427233857 1075585954 /nfs/dbraw/zinc/58/59/54/1075585954.db2.gz HDRBEQMUKOVLFO-HXUWFJFHSA-N 1 0 424.549 2.216 20 0 HDADRO CN(C(=O)C(=O)Nc1ncn(C2CCCCC2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446852365 1075587121 /nfs/dbraw/zinc/58/71/21/1075587121.db2.gz NSGSMNDGGIYAJE-LJQANCHMSA-N 1 0 410.522 2.455 20 0 HDADRO CNC(=O)c1cncc(/C=C/C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)c1 ZINC000731990137 1075587170 /nfs/dbraw/zinc/58/71/70/1075587170.db2.gz AKSUVIBAJARFIO-AATRIKPKSA-N 1 0 400.523 1.994 20 0 HDADRO O=S(=O)([C@H]1CCCOC1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000543679611 1075588844 /nfs/dbraw/zinc/58/88/44/1075588844.db2.gz WTUFGMJWJHSBQI-MOPGFXCFSA-N 1 0 408.568 1.424 20 0 HDADRO C[C@@H](O)C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccccc1 ZINC000427550793 1075596740 /nfs/dbraw/zinc/59/67/40/1075596740.db2.gz UMHDPJGBNNJVQG-AEFFLSMTSA-N 1 0 413.522 1.759 20 0 HDADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CC(F)F)n2)CC1 ZINC000444565427 1075600207 /nfs/dbraw/zinc/60/02/07/1075600207.db2.gz BQJYMZTUGNGKGQ-AWEZNQCLSA-N 1 0 405.449 2.429 20 0 HDADRO COc1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1NC(C)=O ZINC000676565157 1075602967 /nfs/dbraw/zinc/60/29/67/1075602967.db2.gz XMYWQTZEPWNSPS-LSBZLQRGSA-N 1 0 411.524 1.526 20 0 HDADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)([NH+](C)C)C1 ZINC000468466220 1075604495 /nfs/dbraw/zinc/60/44/95/1075604495.db2.gz HUZAEFGYXKRXJD-VGOFRKELSA-N 1 0 412.538 2.086 20 0 HDADRO C[N@H+](CCN1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1)Cc1ccccc1 ZINC000732074053 1075606331 /nfs/dbraw/zinc/60/63/31/1075606331.db2.gz 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20 0 HDADRO CN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732165076 1075643749 /nfs/dbraw/zinc/64/37/49/1075643749.db2.gz CJSHPKPHJQXDFS-NSHDSACASA-N 1 0 402.314 1.405 20 0 HDADRO CCOC(=O)Cc1cccc(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000509430120 1075643758 /nfs/dbraw/zinc/64/37/58/1075643758.db2.gz JRYONICJBCRJSI-LJQANCHMSA-N 1 0 423.579 1.583 20 0 HDADRO Cc1cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1S(N)(=O)=O ZINC000676678218 1075645249 /nfs/dbraw/zinc/64/52/49/1075645249.db2.gz YJZWHPWVEBJANO-HNNXBMFYSA-N 1 0 402.520 1.993 20 0 HDADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000732135653 1075645280 /nfs/dbraw/zinc/64/52/80/1075645280.db2.gz JMCQMEFWEIECEZ-OAHLLOKOSA-N 1 0 407.536 1.848 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000732137485 1075646000 /nfs/dbraw/zinc/64/60/00/1075646000.db2.gz HHBUSJGFABTILM-SECBINFHSA-N 1 0 410.359 1.762 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 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HDADRO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC000732412587 1075739105 /nfs/dbraw/zinc/73/91/05/1075739105.db2.gz QBSAZGBSSPCCQI-IBGZPJMESA-N 1 0 412.534 1.764 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 ZINC000522270403 1075739621 /nfs/dbraw/zinc/73/96/21/1075739621.db2.gz OJGJVYSHEICJGF-KRWDZBQOSA-N 1 0 405.524 1.627 20 0 HDADRO Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(OC[C@H]2CCCO2)c1 ZINC000429477488 1075744865 /nfs/dbraw/zinc/74/48/65/1075744865.db2.gz SDKJUWPOQFGQJP-QZTJIDSGSA-N 1 0 418.538 1.243 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000429477105 1075746094 /nfs/dbraw/zinc/74/60/94/1075746094.db2.gz VODUTODFHZPITO-OAHLLOKOSA-N 1 0 415.469 1.704 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)Cc1ccccc1 ZINC000468452983 1075748139 /nfs/dbraw/zinc/74/81/39/1075748139.db2.gz UGAYZTICARPKIN-HXUWFJFHSA-N 1 0 420.517 1.748 20 0 HDADRO COc1ccc([C@@H]2CCCN2CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)c(OC)c1 ZINC000732487114 1075748471 /nfs/dbraw/zinc/74/84/71/1075748471.db2.gz HXRYHGKSCVFZQL-KRWDZBQOSA-N 1 0 402.495 1.814 20 0 HDADRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C1 ZINC000491484823 1075749078 /nfs/dbraw/zinc/74/90/78/1075749078.db2.gz LCHNVHWAGUWOSM-GFCCVEGCSA-N 1 0 410.400 1.777 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000620795989 1075752020 /nfs/dbraw/zinc/75/20/20/1075752020.db2.gz LQQZLZFKQAUKRA-SFHVURJKSA-N 1 0 407.522 1.894 20 0 HDADRO C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000732464519 1075752960 /nfs/dbraw/zinc/75/29/60/1075752960.db2.gz WOHZKQVWGMSMID-WBVHZDCISA-N 1 0 407.534 1.393 20 0 HDADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCCC[C@H]1C1OCCO1 ZINC000732464818 1075752972 /nfs/dbraw/zinc/75/29/72/1075752972.db2.gz JITNELKVIGAEBC-SFHVURJKSA-N 1 0 418.542 1.316 20 0 HDADRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000582570433 1075753941 /nfs/dbraw/zinc/75/39/41/1075753941.db2.gz HNPRVIQTJKLISK-GOSISDBHSA-N 1 0 420.517 2.096 20 0 HDADRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000561456373 1075758918 /nfs/dbraw/zinc/75/89/18/1075758918.db2.gz GNYVVGQCJCOAQF-UHFFFAOYSA-N 1 0 414.466 1.956 20 0 HDADRO CCCC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1C ZINC000429478619 1075758956 /nfs/dbraw/zinc/75/89/56/1075758956.db2.gz UFAFCYZOUWSXGC-HNNXBMFYSA-N 1 0 403.527 1.424 20 0 HDADRO CN(CCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000491309329 1075760494 /nfs/dbraw/zinc/76/04/94/1075760494.db2.gz JRIKLRFSEQYVFP-UHFFFAOYSA-N 1 0 410.478 1.910 20 0 HDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000732489452 1075764069 /nfs/dbraw/zinc/76/40/69/1075764069.db2.gz SIHXNFDNVXLJFA-GOSISDBHSA-N 1 0 416.522 1.569 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000429478972 1075764338 /nfs/dbraw/zinc/76/43/38/1075764338.db2.gz VJZMUEWAYSADOO-LLVKDONJSA-N 1 0 413.400 1.537 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000441710305 1075765112 /nfs/dbraw/zinc/76/51/12/1075765112.db2.gz YWUHPJSDQNMWFF-JXFKEZNVSA-N 1 0 406.490 2.073 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000467694992 1075765310 /nfs/dbraw/zinc/76/53/10/1075765310.db2.gz CYLGDFAEPHCNHV-KSSFIOAISA-N 1 0 407.522 2.035 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000732491707 1075765234 /nfs/dbraw/zinc/76/52/34/1075765234.db2.gz YENZZLUFOGKVFD-IFXJQAMLSA-N 1 0 403.454 1.943 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000644695664 1075765788 /nfs/dbraw/zinc/76/57/88/1075765788.db2.gz ZABGVDGWSXUBGF-KRWDZBQOSA-N 1 0 409.494 1.461 20 0 HDADRO O=C(NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000509268270 1075769915 /nfs/dbraw/zinc/76/99/15/1075769915.db2.gz ONWSKXQMEAYJDA-HZPDHXFCSA-N 1 0 412.581 1.638 20 0 HDADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000142199080 1075776572 /nfs/dbraw/zinc/77/65/72/1075776572.db2.gz YKQBRLOPLGGNRG-SFHVURJKSA-N 1 0 419.526 1.216 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC(F)(c4ccccc4)CC3)n2)CC1 ZINC000435143782 1075778297 /nfs/dbraw/zinc/77/82/97/1075778297.db2.gz VPIONHJJMFNJER-UHFFFAOYSA-N 1 0 413.497 2.576 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCc3c[nH]c4cc(F)ccc34)n2)CC1 ZINC000427012407 1075779377 /nfs/dbraw/zinc/77/93/77/1075779377.db2.gz PJDUCBYNSGEUPH-UHFFFAOYSA-N 1 0 412.469 2.068 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@@H]3CCCN(c4ccccc4)C3)n2)CC1 ZINC000435214779 1075779677 /nfs/dbraw/zinc/77/96/77/1075779677.db2.gz SWVJSZZIMLIIEG-SFHVURJKSA-N 1 0 424.549 2.121 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCc3ccccc3-n3cccn3)n2)CC1 ZINC000427001245 1075779952 /nfs/dbraw/zinc/77/99/52/1075779952.db2.gz RTYWBSNGOZWZLH-UHFFFAOYSA-N 1 0 407.478 1.590 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CCOc4ccc(F)cc43)n2)CC1 ZINC000426912632 1075780562 /nfs/dbraw/zinc/78/05/62/1075780562.db2.gz WWVLUKXNXKOHBM-MRXNPFEDSA-N 1 0 401.442 1.867 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H](CO)c3cccc(Cl)c3F)n2)CC1 ZINC000440283388 1075780746 /nfs/dbraw/zinc/78/07/46/1075780746.db2.gz OAUMJXVEIZTCCE-OAHLLOKOSA-N 1 0 423.876 1.731 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CCOc4ccc(F)cc43)n2)CC1 ZINC000426912631 1075780785 /nfs/dbraw/zinc/78/07/85/1075780785.db2.gz WWVLUKXNXKOHBM-INIZCTEOSA-N 1 0 401.442 1.867 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)n2)CC1 ZINC000427295154 1075780880 /nfs/dbraw/zinc/78/08/80/1075780880.db2.gz IKXDDRZWAGWWKT-HKUYNNGSSA-N 1 0 411.506 2.125 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)Nc3ccc(Br)cn3)n2)CC1 ZINC000515200532 1075781066 /nfs/dbraw/zinc/78/10/66/1075781066.db2.gz LRSQVUZHIJSVFO-UHFFFAOYSA-N 1 0 407.272 1.885 20 0 HDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)[C@@H](C)C1 ZINC000480570913 1075781647 /nfs/dbraw/zinc/78/16/47/1075781647.db2.gz XJGQUNURJHMPKC-KBPBESRZSA-N 1 0 403.449 1.999 20 0 HDADRO C[C@@H]1CN(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C[C@@H]1[NH+](C)C ZINC000509270829 1075785452 /nfs/dbraw/zinc/78/54/52/1075785452.db2.gz ATUVYZWQGPQZOG-ILXRZTDVSA-N 1 0 400.570 1.350 20 0 HDADRO CN(C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732558571 1075785577 /nfs/dbraw/zinc/78/55/77/1075785577.db2.gz BRQMOSSTDGVUPO-ZGBFETHSSA-N 1 0 420.579 1.698 20 0 HDADRO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000509272920 1075788853 /nfs/dbraw/zinc/78/88/53/1075788853.db2.gz IGMPFHASSBLHLY-HUUCEWRRSA-N 1 0 400.570 1.494 20 0 HDADRO CN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732562546 1075789076 /nfs/dbraw/zinc/78/90/76/1075789076.db2.gz GIGTUZDZNZJOPQ-OAHLLOKOSA-N 1 0 420.608 1.922 20 0 HDADRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C1 ZINC000527080104 1075789122 /nfs/dbraw/zinc/78/91/22/1075789122.db2.gz RPYYUXREYLJEIC-LBPRGKRZSA-N 1 0 410.400 1.683 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000672161829 1075790125 /nfs/dbraw/zinc/79/01/25/1075790125.db2.gz ZVZISWKLZDSNHV-IBGZPJMESA-N 1 0 414.550 1.706 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000672161830 1075790144 /nfs/dbraw/zinc/79/01/44/1075790144.db2.gz ZVZISWKLZDSNHV-LJQANCHMSA-N 1 0 414.550 1.706 20 0 HDADRO CC(C)N(C)c1cnn([C@H]2CCC[N@H+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)c(=O)c1 ZINC000486823292 1075790482 /nfs/dbraw/zinc/79/04/82/1075790482.db2.gz KKLIVKYHNRITBZ-YOUFYPILSA-N 1 0 421.586 1.195 20 0 HDADRO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cn1 ZINC000804235506 1075791047 /nfs/dbraw/zinc/79/10/47/1075791047.db2.gz QKECZTNZLYIEIK-JDGDGYACSA-N 1 0 405.543 1.071 20 0 HDADRO Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cn1 ZINC000804235504 1075791098 /nfs/dbraw/zinc/79/10/98/1075791098.db2.gz QKECZTNZLYIEIK-AWRGBYNESA-N 1 0 405.543 1.071 20 0 HDADRO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)C2=O ZINC000490001314 1075797054 /nfs/dbraw/zinc/79/70/54/1075797054.db2.gz WNNPQGJDFCQHNF-XOBRGWDASA-N 1 0 402.499 1.589 20 0 HDADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)C1 ZINC000475831861 1075797693 /nfs/dbraw/zinc/79/76/93/1075797693.db2.gz LPDJVKQTGPCPHD-INIZCTEOSA-N 1 0 413.526 1.920 20 0 HDADRO C[N@H+](CCNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)Cc1ccc(F)cc1 ZINC000429278832 1075798390 /nfs/dbraw/zinc/79/83/90/1075798390.db2.gz JJNBQIFCAZLMIT-UHFFFAOYSA-N 1 0 414.441 1.770 20 0 HDADRO CC[NH+]1CCC(NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)(C(F)(F)F)CC1 ZINC001129307303 1075800146 /nfs/dbraw/zinc/80/01/46/1075800146.db2.gz UVPLCYCAIPBYTD-GFCCVEGCSA-N 1 0 404.433 1.773 20 0 HDADRO COc1ccc([C@@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)[NH+]2CCCCC2)cc1 ZINC000041976642 1075800920 /nfs/dbraw/zinc/80/09/20/1075800920.db2.gz YJHVLNIUNJAOOM-RBUKOAKNSA-N 1 0 409.552 1.762 20 0 HDADRO COc1ccc([C@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)[NH+]2CCCCC2)cc1 ZINC000041976644 1075801030 /nfs/dbraw/zinc/80/10/30/1075801030.db2.gz YJHVLNIUNJAOOM-OALUTQOASA-N 1 0 409.552 1.762 20 0 HDADRO CCN(CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000804254190 1075806889 /nfs/dbraw/zinc/80/68/89/1075806889.db2.gz ASBXEHKTLFDMDY-SJLPKXTDSA-N 1 0 422.570 1.835 20 0 HDADRO C[C@H]1C[NH+](CCCNC(=O)NCCNc2ccc(-c3ccccc3)nn2)C[C@H](C)O1 ZINC000443655202 1075808688 /nfs/dbraw/zinc/80/86/88/1075808688.db2.gz YDSFECVHBRGXTA-ROUUACIJSA-N 1 0 412.538 2.354 20 0 HDADRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000475858282 1075811953 /nfs/dbraw/zinc/81/19/53/1075811953.db2.gz UVWHRCFVBUHDMI-WMZOPIPTSA-N 1 0 413.526 1.883 20 0 HDADRO COC(=O)c1ccccc1CS(=O)(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611025981 1075813253 /nfs/dbraw/zinc/81/32/53/1075813253.db2.gz YMLQBVTVLKHFJO-SFHVURJKSA-N 1 0 409.552 1.403 20 0 HDADRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)C1 ZINC000468708662 1075813996 /nfs/dbraw/zinc/81/39/96/1075813996.db2.gz ZQCMBZDONSJFJD-ROUUACIJSA-N 1 0 422.595 2.122 20 0 HDADRO Cc1cc(S(N)(=O)=O)cc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1C ZINC000611029961 1075814721 /nfs/dbraw/zinc/81/47/21/1075814721.db2.gz QBCPAVZSVMIMLU-UHFFFAOYSA-N 1 0 413.540 1.296 20 0 HDADRO CC(C)CCn1ccc(NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000543827220 1075816660 /nfs/dbraw/zinc/81/66/60/1075816660.db2.gz OIMNAUYHEQNHNZ-IBGZPJMESA-N 1 0 413.522 1.751 20 0 HDADRO CCOC(=O)CC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000611037222 1075818367 /nfs/dbraw/zinc/81/83/67/1075818367.db2.gz GTJUVFKLHOYKGQ-OAHLLOKOSA-N 1 0 411.524 1.718 20 0 HDADRO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000611038407 1075819027 /nfs/dbraw/zinc/81/90/27/1075819027.db2.gz RLZUCVMEKUILTR-SJLPKXTDSA-N 1 0 403.479 1.920 20 0 HDADRO Cc1ccccc1-n1cc(C(=O)OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cn1 ZINC000732682859 1075820807 /nfs/dbraw/zinc/82/08/07/1075820807.db2.gz TVWJJWIUHZBILT-IBGZPJMESA-N 1 0 414.506 1.811 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2cnc(-c3cnn(C)c3)s2)C1 ZINC000732686614 1075821680 /nfs/dbraw/zinc/82/16/80/1075821680.db2.gz IVPBKMNPVWHBOG-OAHLLOKOSA-N 1 0 421.523 1.173 20 0 HDADRO CS(=O)(=O)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 ZINC000732668487 1075825668 /nfs/dbraw/zinc/82/56/68/1075825668.db2.gz GSKAZMNAYQKNQE-UHFFFAOYSA-N 1 0 414.471 1.741 20 0 HDADRO CC[N@@H+]1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)C[C@H]1C ZINC000611088278 1075827612 /nfs/dbraw/zinc/82/76/12/1075827612.db2.gz NPYDGSOOAYXQJG-GDBMZVCRSA-N 1 0 417.572 1.778 20 0 HDADRO COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466653747 1075827788 /nfs/dbraw/zinc/82/77/88/1075827788.db2.gz JCKRWZFZPWSOAJ-UHFFFAOYSA-N 1 0 411.524 1.202 20 0 HDADRO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1cccc(O)c1 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CCn1c(=O)[nH]c2cc(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2c1=O ZINC000733157987 1075989957 /nfs/dbraw/zinc/98/99/57/1075989957.db2.gz CPVXJQDWWZDIQD-INIZCTEOSA-N 1 0 400.479 1.495 20 0 HDADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000733158886 1075991107 /nfs/dbraw/zinc/99/11/07/1075991107.db2.gz SSGYWEHWXLMPTE-INIZCTEOSA-N 1 0 413.478 1.205 20 0 HDADRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000733159991 1075992578 /nfs/dbraw/zinc/99/25/78/1075992578.db2.gz ZAUGTHGOOYEIBE-CQSZACIVSA-N 1 0 412.531 1.022 20 0 HDADRO O=C(CN1CCN(Cc2ccccc2)CC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733160159 1075994258 /nfs/dbraw/zinc/99/42/58/1075994258.db2.gz OJNMSFRQVIWBJQ-JOCHJYFZSA-N 1 0 400.567 1.564 20 0 HDADRO CC[NH+]1CCN(CCNC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CC1 ZINC000733162879 1075995367 /nfs/dbraw/zinc/99/53/67/1075995367.db2.gz VVUCWFZLLUNEBJ-JZJYNLBNSA-N 1 0 421.505 1.685 20 0 HDADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000733163754 1075996332 /nfs/dbraw/zinc/99/63/32/1075996332.db2.gz ICWPTDHBPYGMHG-HMMYKYKNSA-N 1 0 415.517 1.603 20 0 HDADRO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000733163753 1075996359 /nfs/dbraw/zinc/99/63/59/1075996359.db2.gz ICWPTDHBPYGMHG-HKWRFOASSA-N 1 0 415.517 1.603 20 0 HDADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000733164729 1075997283 /nfs/dbraw/zinc/99/72/83/1075997283.db2.gz CPABADBRSMPEDN-DOTOQJQBSA-N 1 0 423.535 1.326 20 0 HDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CCc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1 ZINC000733170523 1076000991 /nfs/dbraw/zinc/00/09/91/1076000991.db2.gz OAVWGQZKJSJYBQ-OAHLLOKOSA-N 1 0 416.570 1.201 20 0 HDADRO C[C@H](c1ccccc1)[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CC1 ZINC000512243167 1076000989 /nfs/dbraw/zinc/00/09/89/1076000989.db2.gz JLJAUAFSZAJNMO-LJQANCHMSA-N 1 0 414.550 1.215 20 0 HDADRO CCN(CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001081101690 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/nfs/dbraw/zinc/01/63/52/1076016352.db2.gz UYVFWTYSCBHPDV-YSVLISHTSA-N 1 0 404.515 1.390 20 0 HDADRO CO[C@@H]1C[N@H+](CCOc2cc(C)cc(C)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959668 1076019869 /nfs/dbraw/zinc/01/98/69/1076019869.db2.gz RXVNEMQPEHDBEY-QQEKQYBASA-N 1 0 400.519 1.921 20 0 HDADRO C[C@@H]([NH2+]C1(CNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CCCC1)c1ccccc1 ZINC000733267105 1076024733 /nfs/dbraw/zinc/02/47/33/1076024733.db2.gz JRGCWUJEIQBHQW-FMQWLBJXSA-N 1 0 410.518 1.877 20 0 HDADRO COc1ccc([C@@H](CNC(=O)N2CCN(S(C)(=O)=O)CC2)[NH+]2CCCC2)cc1 ZINC000052798777 1076028533 /nfs/dbraw/zinc/02/85/33/1076028533.db2.gz LLDHRSDZKJUKMA-GOSISDBHSA-N 1 0 410.540 1.119 20 0 HDADRO CCOC(=O)N(C)C1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000727033795 1076029214 /nfs/dbraw/zinc/02/92/14/1076029214.db2.gz WRBYUAKKLALDNP-UHFFFAOYSA-N 1 0 409.575 1.807 20 0 HDADRO CCOC(=O)N(C)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000727034649 1076029539 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402.586 1.091 20 0 HDADRO NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000727109090 1076046983 /nfs/dbraw/zinc/04/69/83/1076046983.db2.gz FGOKFJAQVJKZHM-DSJULSIBSA-N 1 0 410.518 1.486 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](O)COc2cccc(F)c2)CC1=O ZINC000733358861 1076051490 /nfs/dbraw/zinc/05/14/90/1076051490.db2.gz NWPNWFPKNJYPOK-NXHRZFHOSA-N 1 0 407.486 1.014 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)/C(=C\c2cccc(OC)c2)n2nnnc2C)CC1 ZINC000727105983 1076052396 /nfs/dbraw/zinc/05/23/96/1076052396.db2.gz UOUARLZNMXGBCY-HMMYKYKNSA-N 1 0 414.510 1.605 20 0 HDADRO COc1ccc([C@H](CNC(=O)C(=O)NCCc2cccc(C)n2)[NH+](C)C)cc1OC ZINC000516933680 1076055080 /nfs/dbraw/zinc/05/50/80/1076055080.db2.gz VBDWAWSSQAAELN-SFHVURJKSA-N 1 0 414.506 1.485 20 0 HDADRO CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)NCCC[NH+]1CCCC1 ZINC000053560242 1076058720 /nfs/dbraw/zinc/05/87/20/1076058720.db2.gz DYXJMHWCORQYDD-UHFFFAOYSA-N 1 0 417.510 1.958 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(F)c1 ZINC000054042817 1076060602 /nfs/dbraw/zinc/06/06/02/1076060602.db2.gz OQPJFCIEAISKEA-GOSISDBHSA-N 1 0 408.499 1.618 20 0 HDADRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000054092883 1076060691 /nfs/dbraw/zinc/06/06/91/1076060691.db2.gz XHIUJEJLNLUBAG-UHFFFAOYSA-N 1 0 415.538 1.161 20 0 HDADRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000054101871 1076060963 /nfs/dbraw/zinc/06/09/63/1076060963.db2.gz YYANBRLYVQCPGG-UHFFFAOYSA-N 1 0 401.555 1.634 20 0 HDADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC001082652003 1076061395 /nfs/dbraw/zinc/06/13/95/1076061395.db2.gz ADJUICWKQKFNHM-WKLFKRTGSA-N 1 0 409.530 1.956 20 0 HDADRO C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1[NH2+]CCc1ccc2c(c1)CCO2 ZINC001082658343 1076062596 /nfs/dbraw/zinc/06/25/96/1076062596.db2.gz YEIQDPLSWPTCKQ-BLMAIVTKSA-N 1 0 400.519 1.652 20 0 HDADRO O=c1c(Br)c(Br)cnn1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727169568 1076068501 /nfs/dbraw/zinc/06/85/01/1076068501.db2.gz KHWSHYREOHOQGX-SNVBAGLBSA-N 1 0 406.122 1.896 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O ZINC000727175596 1076069724 /nfs/dbraw/zinc/06/97/24/1076069724.db2.gz WDJZIGKVNNELLP-ZBFHGGJFSA-N 1 0 423.535 1.470 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000727174823 1076069878 /nfs/dbraw/zinc/06/98/78/1076069878.db2.gz FYIQCZVJQLLVRZ-HNNXBMFYSA-N 1 0 406.552 1.694 20 0 HDADRO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000727158804 1076071293 /nfs/dbraw/zinc/07/12/93/1076071293.db2.gz AGTGXERXROYDFR-KRWDZBQOSA-N 1 0 419.551 1.266 20 0 HDADRO O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000727231337 1076086302 /nfs/dbraw/zinc/08/63/02/1076086302.db2.gz IXKLZZAPCBEMHZ-ZDUSSCGKSA-N 1 0 401.435 1.318 20 0 HDADRO CCOC(=O)C1=C(CN2CC[NH+](C[C@H]3CCCO3)CC2)NC(=O)N[C@H]1c1ccco1 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OJTWOTVMFUITAV-NHHWLVAYSA-N 1 0 420.579 1.700 20 0 HDADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000730559573 1076595169 /nfs/dbraw/zinc/59/51/69/1076595169.db2.gz HHYDGUMGDNOJDG-MHCKTMCQSA-N 1 0 408.612 1.873 20 0 HDADRO CCC[NH+]1CCC(NC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000730578415 1076601044 /nfs/dbraw/zinc/60/10/44/1076601044.db2.gz OTXZTSLMMROABE-UHFFFAOYSA-N 1 0 411.547 1.239 20 0 HDADRO NC(=O)[C@@H]1CC(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)=NN1c1ccc(F)cc1 ZINC000730764469 1076647478 /nfs/dbraw/zinc/64/74/78/1076647478.db2.gz XPVQTORFLCPBCT-HKUYNNGSSA-N 1 0 401.486 1.723 20 0 HDADRO O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000730774231 1076649647 /nfs/dbraw/zinc/64/96/47/1076649647.db2.gz SSYZRNFCCRUOQZ-KRWDZBQOSA-N 1 0 406.552 1.772 20 0 HDADRO O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000730774079 1076649809 /nfs/dbraw/zinc/64/98/09/1076649809.db2.gz SJYVLSPJVYSGFZ-BBWFWOEESA-N 1 0 420.897 1.524 20 0 HDADRO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000730796721 1076653080 /nfs/dbraw/zinc/65/30/80/1076653080.db2.gz NUUCNMRWGSJBRS-GFCCVEGCSA-N 1 0 416.341 1.797 20 0 HDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000730786269 1076657467 /nfs/dbraw/zinc/65/74/67/1076657467.db2.gz OGRIRMZLFOYOQG-KBPBESRZSA-N 1 0 405.520 1.986 20 0 HDADRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)C1 ZINC000730787010 1076657824 /nfs/dbraw/zinc/65/78/24/1076657824.db2.gz JUXHPTCAXKBOLM-MRXNPFEDSA-N 1 0 413.515 1.451 20 0 HDADRO COC1CC[NH+](C(C)(C)CNC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 ZINC000730789566 1076658815 /nfs/dbraw/zinc/65/88/15/1076658815.db2.gz PKUGWWPLMQBBRE-SFHVURJKSA-N 1 0 401.511 1.112 20 0 HDADRO CCn1c(=O)c2ccccc2n(CC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c1=O ZINC000730790807 1076659984 /nfs/dbraw/zinc/65/99/84/1076659984.db2.gz MSCSKPHRJGTLRS-UHFFFAOYSA-N 1 0 416.522 1.189 20 0 HDADRO CCOc1ccccc1N1C(=O)C(=O)N(CN2CC[C@@H]([NH+]3CCCCC3)C2)C1=O ZINC000730804826 1076664601 /nfs/dbraw/zinc/66/46/01/1076664601.db2.gz KVLLMIKWGJDIES-MRXNPFEDSA-N 1 0 400.479 1.898 20 0 HDADRO O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730919296 1076692183 /nfs/dbraw/zinc/69/21/83/1076692183.db2.gz INVVVRUKZOKIOO-GOSISDBHSA-N 1 0 412.490 1.755 20 0 HDADRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 ZINC000730935316 1076696005 /nfs/dbraw/zinc/69/60/05/1076696005.db2.gz CJQCMGNCHFTRRK-GDBMZVCRSA-N 1 0 421.519 1.082 20 0 HDADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000731006416 1076704354 /nfs/dbraw/zinc/70/43/54/1076704354.db2.gz DQVHUDDUXXHKMX-UHFFFAOYSA-N 1 0 421.491 1.125 20 0 HDADRO COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)c(Br)cc1F ZINC000731038570 1076716275 /nfs/dbraw/zinc/71/62/75/1076716275.db2.gz FTDIFLFYPMZTFR-SNVBAGLBSA-N 1 0 423.304 1.995 20 0 HDADRO O=C(Nc1ccc(-n2cnc3ccccc32)nc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731134373 1076737160 /nfs/dbraw/zinc/73/71/60/1076737160.db2.gz JFKKZBGMYGDOAJ-QGZVFWFLSA-N 1 0 404.474 1.960 20 0 HDADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cc2)C[C@@H](C)O1 ZINC000731134615 1076737183 /nfs/dbraw/zinc/73/71/83/1076737183.db2.gz JYIIXOOEMHTCDV-GPMSIDNRSA-N 1 0 400.523 1.839 20 0 HDADRO CCOC(=O)N(C)C1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000731232749 1076761142 /nfs/dbraw/zinc/76/11/42/1076761142.db2.gz JVPWHUMKRRXVFA-FUHWJXTLSA-N 1 0 408.543 1.399 20 0 HDADRO C[C@@H](OC(=O)CCCS(C)(=O)=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000731255219 1076771016 /nfs/dbraw/zinc/77/10/16/1076771016.db2.gz DKPGUVZRKIWWCW-MRXNPFEDSA-N 1 0 410.536 1.524 20 0 HDADRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC001473750162 1126198902 /nfs/dbraw/zinc/19/89/02/1126198902.db2.gz GOSHXKUVVMLHLV-QHCPKHFHSA-N 1 0 421.501 1.982 20 0 HDADRO C[C@@](CO)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC001461669710 1126195689 /nfs/dbraw/zinc/19/56/89/1126195689.db2.gz GTONBGLGGGWMFQ-HNNXBMFYSA-N 1 0 403.298 1.773 20 0 HDADRO O=C([C@@H]1C[C@H](N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[NH2+]1)N1CCSC1 ZINC000028889121 132494348 /nfs/dbraw/zinc/49/43/48/132494348.db2.gz ZVXHJLAUJDNUSO-GJZGRUSLSA-N 1 0 415.485 1.486 20 0 HDADRO O=C1CN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC2(CC[NH2+]CC2)N1 ZINC001164394141 718809621 /nfs/dbraw/zinc/80/96/21/718809621.db2.gz YNVNOXXPJRWERO-SFHVURJKSA-N 1 0 405.861 1.983 20 0 HDADRO Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c2c1C ZINC001164389415 718824514 /nfs/dbraw/zinc/82/45/14/718824514.db2.gz IGMMMGAYMIJRQY-HZPDHXFCSA-N 1 0 403.552 1.707 20 0 HDADRO C(c1nc2sc3c(c2c(N2CC[C@@H]4[NH2+]CCO[C@H]4C2)n1)CCC3)N1CCOCC1 ZINC001164391737 718824641 /nfs/dbraw/zinc/82/46/41/718824641.db2.gz WVAHAJMPLRKTEU-HOTGVXAUSA-N 1 0 415.563 1.579 20 0 HDADRO C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@H]4C2)n1)CCC3)N1CCOCC1 ZINC001164403464 718839653 /nfs/dbraw/zinc/83/96/53/718839653.db2.gz JMMGJXHIYBMOHN-HNNXBMFYSA-N 1 0 414.579 1.106 20 0 HDADRO Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H]4C[NH2+]C[C@]4(CO)C3)c2c1C ZINC001164401532 718853346 /nfs/dbraw/zinc/85/33/46/718853346.db2.gz BIASAZGDTQUWGN-FOIQADDNSA-N 1 0 403.552 1.158 20 0 HDADRO COc1ccc(-c2cc(C(F)(F)N3CCNC(=O)C34C[NH2+]C4)c(Cl)nn2)cc1 ZINC001164414093 718879404 /nfs/dbraw/zinc/87/94/04/718879404.db2.gz QAKXTZBSKWFEED-UHFFFAOYSA-N 1 0 409.824 1.629 20 0 HDADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4C[C@]4([NH3+])C3)c2c1C ZINC001164420638 718888039 /nfs/dbraw/zinc/88/80/39/718888039.db2.gz VIUCAOWJRIJWRP-RBZFPXEDSA-N 1 0 417.535 1.546 20 0 HDADRO COC(=O)c1cc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)cnc1Cl ZINC001164424487 718913571 /nfs/dbraw/zinc/91/35/71/718913571.db2.gz NWKBIZQNFKKGSE-MRXNPFEDSA-N 1 0 405.829 1.652 20 0 HDADRO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164424735 718918014 /nfs/dbraw/zinc/91/80/14/718918014.db2.gz PAYMMAIYKHGDIJ-JKSUJKDBSA-N 1 0 410.824 1.521 20 0 HDADRO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425304 718918595 /nfs/dbraw/zinc/91/85/95/718918595.db2.gz RKJQFYMWGPUWMF-INIZCTEOSA-N 1 0 415.828 1.915 20 0 HDADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1[C@H](C(=O)OCC)C[C@@H]2C[NH2+]C[C@H]21 ZINC001164618734 719012355 /nfs/dbraw/zinc/01/23/55/719012355.db2.gz SSLFJHBUGPXPRA-ADEWGFFLSA-N 1 0 418.828 1.581 20 0 HDADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc(C(=O)OC)c(Cl)n1 ZINC001164619310 719013694 /nfs/dbraw/zinc/01/36/94/719013694.db2.gz VPVPCPCJWDTIPW-USWWRNFRSA-N 1 0 403.813 1.796 20 0 HDADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)C[C@H]21 ZINC001164674840 719441066 /nfs/dbraw/zinc/44/10/66/719441066.db2.gz XQDRAFPXXLFDFA-HZPDHXFCSA-N 1 0 415.563 1.531 20 0 HDADRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)Nc4cc(F)ccc4F)cn3)C[C@@H]21 ZINC001164668121 719460377 /nfs/dbraw/zinc/46/03/77/719460377.db2.gz OAVFXLQHRJPUKR-DLBZAZTESA-N 1 0 410.446 1.680 20 0 HDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(=O)N3CCOCC3)cn1)C2 ZINC001164813185 720075160 /nfs/dbraw/zinc/07/51/60/720075160.db2.gz SXIDBRNHDFCFBZ-REWPJTCUSA-N 1 0 414.550 1.739 20 0 HDADRO CCN(C)c1ccnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164715078 720163860 /nfs/dbraw/zinc/16/38/60/720163860.db2.gz SNVUTKHYXKUOLU-KRWDZBQOSA-N 1 0 400.531 1.277 20 0 HDADRO COc1nc2ccccc2nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164719481 720173081 /nfs/dbraw/zinc/17/30/81/720173081.db2.gz VKNGRAYFVWBWHN-IBGZPJMESA-N 1 0 423.521 1.983 20 0 HDADRO Cn1nnc2c1CCN(c1ccc3ccc(=O)n(C)c3n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717711 720183790 /nfs/dbraw/zinc/18/37/90/720183790.db2.gz LUEZNMVTMKFVLV-GOSISDBHSA-N 1 0 423.521 1.278 20 0 HDADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCC[C@H]3C(N)=O)ncn1)C2 ZINC001164816812 720186586 /nfs/dbraw/zinc/18/65/86/720186586.db2.gz MUXJJFSKTVSDHW-SPEDKVCISA-N 1 0 414.554 1.115 20 0 HDADRO Cn1nnc2c1CCN(c1cncc(-n3ccnc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715256 720190975 /nfs/dbraw/zinc/19/09/75/720190975.db2.gz KGQJBZRLFVDBQV-KRWDZBQOSA-N 1 0 409.498 1.007 20 0 HDADRO CCOC(=O)Cc1ccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1 ZINC001164812166 720223887 /nfs/dbraw/zinc/22/38/87/720223887.db2.gz FUWGTRIXNSEGFN-UHFFFAOYSA-N 1 0 413.522 1.994 20 0 HDADRO CCOC(=O)Cc1ccnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164818107 720245650 /nfs/dbraw/zinc/24/56/50/720245650.db2.gz XIANEQUZENZPPR-UHFFFAOYSA-N 1 0 413.522 1.994 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C(N)=O)cc(Cl)n2)CC1 ZINC001164821289 720294721 /nfs/dbraw/zinc/29/47/21/720294721.db2.gz JUFCIGJBQUACHD-HOTGVXAUSA-N 1 0 405.930 1.745 20 0 HDADRO CC(C)OC(=O)c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nn1 ZINC001164824587 720303639 /nfs/dbraw/zinc/30/36/39/720303639.db2.gz RWQLQLIVMQWFRZ-RTBURBONSA-N 1 0 415.538 1.953 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2S(C)(=O)=O)CC1 ZINC001164827335 720307990 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Cc1nnc(COCC(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)s1 ZINC000509087041 1073497771 /nfs/dbraw/zinc/49/77/71/1073497771.db2.gz WVRQGEPEDUQXBR-UHFFFAOYSA-N 1 0 403.508 1.780 20 0 HDADRO C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)C[NH+]1CCN(C)CC1 ZINC000509097354 1073521544 /nfs/dbraw/zinc/52/15/44/1073521544.db2.gz JMKBSUTXVRQGFJ-ZTNFWEORSA-N 1 0 421.973 1.795 20 0 HDADRO C[C@H](CNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C[NH+]1CCN(C)CC1 ZINC000509097352 1073521679 /nfs/dbraw/zinc/52/16/79/1073521679.db2.gz JMKBSUTXVRQGFJ-XFQXTVEOSA-N 1 0 421.973 1.795 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000429084412 1073532930 /nfs/dbraw/zinc/53/29/30/1073532930.db2.gz NOCXAFQXXJRGNP-GOSISDBHSA-N 1 0 413.526 1.885 20 0 HDADRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000673650487 1073549594 /nfs/dbraw/zinc/54/95/94/1073549594.db2.gz VOAGLPOMSRHGIV-QGZVFWFLSA-N 1 0 415.538 1.937 20 0 HDADRO COc1nn(C)cc1NC(=O)C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000475172319 1073557859 /nfs/dbraw/zinc/55/78/59/1073557859.db2.gz GZLIIMVSZGPMPF-UHFFFAOYSA-N 1 0 401.467 1.135 20 0 HDADRO O=C(c1ccc(N2NC(=O)CCC2=O)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000625185719 1073563776 /nfs/dbraw/zinc/56/37/76/1073563776.db2.gz UNMJUNVOZMSOQG-SFHVURJKSA-N 1 0 400.479 1.172 20 0 HDADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000429104042 1073589070 /nfs/dbraw/zinc/58/90/70/1073589070.db2.gz OUIWRFIWVLBXCU-IBGZPJMESA-N 1 0 413.522 1.075 20 0 HDADRO CNC(=O)N1CCN(c2nnc(CC(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001299283309 1073590904 /nfs/dbraw/zinc/59/09/04/1073590904.db2.gz ZLHFNMPYRPPLAT-SFHVURJKSA-N 1 0 421.590 1.439 20 0 HDADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)CC1=O ZINC000673659537 1073608718 /nfs/dbraw/zinc/60/87/18/1073608718.db2.gz UNTMUOZRNIKTTR-GOSISDBHSA-N 1 0 411.506 1.853 20 0 HDADRO 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C[C@H]1C[C@@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C(=O)N1c1cnn(C)c1 ZINC000673684830 1073641010 /nfs/dbraw/zinc/64/10/10/1073641010.db2.gz KUZMZCCAIWSWNW-OXJNMPFZSA-N 1 0 410.522 1.091 20 0 HDADRO CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000673702378 1073644049 /nfs/dbraw/zinc/64/40/49/1073644049.db2.gz BHJMRHNCYLNOMG-LJQANCHMSA-N 1 0 408.568 1.609 20 0 HDADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673700899 1073644254 /nfs/dbraw/zinc/64/42/54/1073644254.db2.gz XESYACYFZOSMSV-WOJBJXKFSA-N 1 0 400.523 1.237 20 0 HDADRO CN(C(=O)NCCCN1CCCS1(=O)=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673705159 1073645634 /nfs/dbraw/zinc/64/56/34/1073645634.db2.gz NAQIGBWTMHOHHQ-IBGZPJMESA-N 1 0 408.568 1.718 20 0 HDADRO Cn1cnc2c1c(=O)n(CCCN1CC[C@H]([N@H+](C)Cc3ccccc3)C1)c(=O)n2C ZINC000673716685 1073648649 /nfs/dbraw/zinc/64/86/49/1073648649.db2.gz YQDAZYBKSKIPKM-SFHVURJKSA-N 1 0 410.522 1.030 20 0 HDADRO Cc1noc(CCC[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)CC[C@@H]3C2)n1 ZINC000946684731 1073675635 /nfs/dbraw/zinc/67/56/35/1073675635.db2.gz OLMPFGUUJOIFFQ-BHQCHZOVSA-N 1 0 400.523 1.904 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 ZINC000673753672 1073686323 /nfs/dbraw/zinc/68/63/23/1073686323.db2.gz OYZWRUYBKWZIKU-SFHVURJKSA-N 1 0 416.547 1.825 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)N1CCN(c2cnccn2)CC1 ZINC000673755842 1073691328 /nfs/dbraw/zinc/69/13/28/1073691328.db2.gz VUVNNKHMZIDJLH-HXUWFJFHSA-N 1 0 408.550 1.722 20 0 HDADRO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000673750727 1073694226 /nfs/dbraw/zinc/69/42/26/1073694226.db2.gz FEBWKSBYQUBXPJ-FXAWDEMLSA-N 1 0 400.523 1.237 20 0 HDADRO CCS(=O)(=O)N1CC(CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000429125323 1073694860 /nfs/dbraw/zinc/69/48/60/1073694860.db2.gz YXZBLSCSPSHQDX-UHFFFAOYSA-N 1 0 408.568 1.404 20 0 HDADRO CN(C(=O)c1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1)C1CCOCC1 ZINC000429124916 1073696007 /nfs/dbraw/zinc/69/60/07/1073696007.db2.gz XGRKBRUXSXVHOB-IBGZPJMESA-N 1 0 403.527 1.305 20 0 HDADRO CC[NH+]1CCN(CCNC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)CC1 ZINC000509139953 1073705121 /nfs/dbraw/zinc/70/51/21/1073705121.db2.gz DSOICZBEKBPQHU-FQEVSTJZSA-N 1 0 403.502 1.108 20 0 HDADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H]1OCCc2sccc21 ZINC000429127322 1073705211 /nfs/dbraw/zinc/70/52/11/1073705211.db2.gz LKCOFHXCLPQJLG-XCLFUZPHSA-N 1 0 403.504 1.521 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCCCN1CCCS1(=O)=O ZINC000673773959 1073708398 /nfs/dbraw/zinc/70/83/98/1073708398.db2.gz YVWUEWZGAUPKJD-GOSISDBHSA-N 1 0 408.568 1.718 20 0 HDADRO CNC(=O)CN1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000673769156 1073713216 /nfs/dbraw/zinc/71/32/16/1073713216.db2.gz OXLONCHKKAEYDG-SFHVURJKSA-N 1 0 401.555 1.503 20 0 HDADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000429132405 1073716555 /nfs/dbraw/zinc/71/65/55/1073716555.db2.gz ZSEQTVGUDWKUDY-KZULUSFZSA-N 1 0 409.533 1.935 20 0 HDADRO COc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1S(=O)(=O)N(C)C ZINC000069344470 1073718326 /nfs/dbraw/zinc/71/83/26/1073718326.db2.gz NZDQZJNEWUILBU-KRWDZBQOSA-N 1 0 405.520 1.978 20 0 HDADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000429131868 1073720475 /nfs/dbraw/zinc/72/04/75/1073720475.db2.gz KPRICBPCJPOZPB-UHFFFAOYSA-N 1 0 405.543 1.936 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(N(C)C(C)=O)cc2)C1 ZINC000673789781 1073736591 /nfs/dbraw/zinc/73/65/91/1073736591.db2.gz ODVVENUQSBONIT-IBGZPJMESA-N 1 0 404.511 1.567 20 0 HDADRO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(OCC[NH+](C)C)c3)nc12 ZINC000673787854 1073741310 /nfs/dbraw/zinc/74/13/10/1073741310.db2.gz BLPTVJNAHFLWDK-UHFFFAOYSA-N 1 0 409.490 1.881 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000429136469 1073744673 /nfs/dbraw/zinc/74/46/73/1073744673.db2.gz XCSLUSXIIVPIGM-UHFFFAOYSA-N 1 0 419.979 1.246 20 0 HDADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[NH+](C2CCC2)C2CCC2)CC1 ZINC000429137089 1073750828 /nfs/dbraw/zinc/75/08/28/1073750828.db2.gz BEEQMNQUSTUELV-UHFFFAOYSA-N 1 0 410.540 1.531 20 0 HDADRO CNS(=O)(=O)CCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000429136842 1073751894 /nfs/dbraw/zinc/75/18/94/1073751894.db2.gz APZQQRFJZVGQHZ-UHFFFAOYSA-N 1 0 402.948 1.400 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 ZINC000501215103 1073764376 /nfs/dbraw/zinc/76/43/76/1073764376.db2.gz AQXRJEPXFMHBHW-BBRMVZONSA-N 1 0 400.545 1.539 20 0 HDADRO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H](C)NC(=O)COc3ccccc3)CC2)CC1 ZINC000509160260 1073793154 /nfs/dbraw/zinc/79/31/54/1073793154.db2.gz FZNVZPIWAYHINW-IBGZPJMESA-N 1 0 416.566 1.587 20 0 HDADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@@H]2CCCN2c2ncccn2)cc1 ZINC000673839352 1073803366 /nfs/dbraw/zinc/80/33/66/1073803366.db2.gz ZXGSROZFRNWHDN-IBGZPJMESA-N 1 0 408.506 1.910 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2c2ncccn2)CC1 ZINC000673838149 1073812042 /nfs/dbraw/zinc/81/20/42/1073812042.db2.gz KADRIOKRDHFMJC-IBGZPJMESA-N 1 0 416.570 1.532 20 0 HDADRO C[C@H](NC(=O)CNC(=O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ccc(F)cc1 ZINC000543493383 1073817974 /nfs/dbraw/zinc/81/79/74/1073817974.db2.gz HUASCGIWZMXXAX-KSSFIOAISA-N 1 0 406.502 1.533 20 0 HDADRO CN(Cc1nnnn1C)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000466544818 1073830319 /nfs/dbraw/zinc/83/03/19/1073830319.db2.gz LCVHOAJMJXNPRI-UHFFFAOYSA-N 1 0 401.515 1.423 20 0 HDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000466542311 1073832379 /nfs/dbraw/zinc/83/23/79/1073832379.db2.gz QKQWBOMJPNQTII-QGZVFWFLSA-N 1 0 424.977 1.003 20 0 HDADRO O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000466542306 1073832465 /nfs/dbraw/zinc/83/24/65/1073832465.db2.gz QKQWBOMJPNQTII-KRWDZBQOSA-N 1 0 424.977 1.003 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)cn1 ZINC000673869768 1073833642 /nfs/dbraw/zinc/83/36/42/1073833642.db2.gz UOUNUGNCXCAXPA-IBGZPJMESA-N 1 0 400.527 1.510 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(c3ncnc4sccc43)CC2)cn1 ZINC000673870551 1073835050 /nfs/dbraw/zinc/83/50/50/1073835050.db2.gz OGJKESHWXUICDE-UHFFFAOYSA-N 1 0 400.512 1.804 20 0 HDADRO COc1ccc(CN2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)cc1F ZINC000673870099 1073835751 /nfs/dbraw/zinc/83/57/51/1073835751.db2.gz VAVOLIHOKXUGOJ-UHFFFAOYSA-N 1 0 404.490 1.942 20 0 HDADRO NC(=O)C[C@@H]([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C1CCCCC1 ZINC000543494722 1073836225 /nfs/dbraw/zinc/83/62/25/1073836225.db2.gz PUDMCZZNJLNVSF-OAHLLOKOSA-N 1 0 405.890 1.668 20 0 HDADRO C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000673868611 1073846278 /nfs/dbraw/zinc/84/62/78/1073846278.db2.gz BVAMUDZYGNLHMD-PXNSSMCTSA-N 1 0 400.527 1.856 20 0 HDADRO NC(=O)C[C@@H]([NH2+]CCc1nc2sc3c(c2c(N)n1)CCCC3)C1CCOCC1 ZINC000543498086 1073848058 /nfs/dbraw/zinc/84/80/58/1073848058.db2.gz SSIUWEBAYZXBFO-CQSZACIVSA-N 1 0 403.552 1.955 20 0 HDADRO NC(=O)C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)C1CCOCC1 ZINC000543497908 1073849158 /nfs/dbraw/zinc/84/91/58/1073849158.db2.gz PSBPYAYEWCFQKJ-OAHLLOKOSA-N 1 0 405.392 1.721 20 0 HDADRO CN(Cc1nc2c(s1)CCCC2)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673878009 1073850675 /nfs/dbraw/zinc/85/06/75/1073850675.db2.gz CTRNOSRZFPXLSX-MRXNPFEDSA-N 1 0 407.584 1.570 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000673879576 1073850739 /nfs/dbraw/zinc/85/07/39/1073850739.db2.gz ABSMDRRDXZRHLB-MAUKXSAKSA-N 1 0 406.531 1.103 20 0 HDADRO O=C(NCc1nnnn1-c1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000673879195 1073851236 /nfs/dbraw/zinc/85/12/36/1073851236.db2.gz WQSOQRSHVMLFKS-QUCCMNQESA-N 1 0 421.505 1.345 20 0 HDADRO C[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000543496537 1073857477 /nfs/dbraw/zinc/85/74/77/1073857477.db2.gz RFFRSPMMVASALU-MNOVXSKESA-N 1 0 412.412 1.650 20 0 HDADRO CN(C)c1nc(CNC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)cs1 ZINC000673887917 1073860986 /nfs/dbraw/zinc/86/09/86/1073860986.db2.gz NFRBJPSRHHQJOF-UHFFFAOYSA-N 1 0 418.523 1.354 20 0 HDADRO CC(C)(CO)[NH+]1CCN(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC000673896344 1073866634 /nfs/dbraw/zinc/86/66/34/1073866634.db2.gz QLPJJDMVLVCNKS-UHFFFAOYSA-N 1 0 408.587 1.016 20 0 HDADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000673908193 1073876366 /nfs/dbraw/zinc/87/63/66/1073876366.db2.gz OVYYIKMDLOHIOT-GOSISDBHSA-N 1 0 411.568 1.454 20 0 HDADRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3cccc(NS(C)(=O)=O)c3)C2=O)c1 ZINC000673929377 1073899521 /nfs/dbraw/zinc/89/95/21/1073899521.db2.gz CJMIZMLXSUFWAG-LJQANCHMSA-N 1 0 419.503 1.970 20 0 HDADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000673930299 1073903034 /nfs/dbraw/zinc/90/30/34/1073903034.db2.gz HJXPTYROSIYPHT-MEDUHNTESA-N 1 0 403.405 1.480 20 0 HDADRO O=C(NC1CCN(c2cccnn2)CC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000429165986 1073910670 /nfs/dbraw/zinc/91/06/70/1073910670.db2.gz UYSLAVNUNRSQPB-UHFFFAOYSA-N 1 0 402.543 1.732 20 0 HDADRO CC[C@H]1Oc2cc([C@@H](C)NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc2NC1=O ZINC000670438096 1073952952 /nfs/dbraw/zinc/95/29/52/1073952952.db2.gz JQMWBTHJKZAYDW-NYCLONFESA-N 1 0 414.506 1.668 20 0 HDADRO C[NH+](C)CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCC1 ZINC000466568002 1073954519 /nfs/dbraw/zinc/95/45/19/1073954519.db2.gz UXSQYKRNKUHTQI-UHFFFAOYSA-N 1 0 415.506 1.966 20 0 HDADRO Cc1c([C@@H](C)[NH2+]CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cnn1C ZINC000543517353 1073959820 /nfs/dbraw/zinc/95/98/20/1073959820.db2.gz AJFPKMOUAAYCAD-CQSZACIVSA-N 1 0 423.514 1.051 20 0 HDADRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cnn1C ZINC000543518122 1073967894 /nfs/dbraw/zinc/96/78/94/1073967894.db2.gz UZEWKDZIEDVFSX-LLVKDONJSA-N 1 0 413.931 1.922 20 0 HDADRO O=C(Nc1cccnc1N1CCCCC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000509185581 1073978738 /nfs/dbraw/zinc/97/87/38/1073978738.db2.gz PCVQLDQTVFVQAR-QGZVFWFLSA-N 1 0 415.538 1.628 20 0 HDADRO O=C(Nc1cccnc1N1CCCCC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000509185579 1073978828 /nfs/dbraw/zinc/97/88/28/1073978828.db2.gz PCVQLDQTVFVQAR-KRWDZBQOSA-N 1 0 415.538 1.628 20 0 HDADRO CC1(C)CC[N@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2OC[C@@H]4COCC[C@H]24)C3)C1 ZINC001005046244 1073984311 /nfs/dbraw/zinc/98/43/11/1073984311.db2.gz HTIPZEIKAFTTCS-ZNIMCQAWSA-N 1 0 405.539 1.018 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000543520817 1073989667 /nfs/dbraw/zinc/98/96/67/1073989667.db2.gz GWRDSSCDVMFTAP-UHFFFAOYSA-N 1 0 402.539 1.746 20 0 HDADRO CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000509187986 1073994614 /nfs/dbraw/zinc/99/46/14/1073994614.db2.gz YLLUIMWELGAZRH-ZWKOTPCHSA-N 1 0 400.527 1.844 20 0 HDADRO C[C@@H](NC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1)C(=O)NCC[NH+]1CCCCC1 ZINC000670445092 1074000268 /nfs/dbraw/zinc/00/02/68/1074000268.db2.gz USHCQKMCGJEBLB-TZIWHRDSSA-N 1 0 415.582 1.082 20 0 HDADRO Cc1c(C(=O)NCC(C)(C)S(C)(=O)=O)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000673996773 1074019168 /nfs/dbraw/zinc/01/91/68/1074019168.db2.gz YBAWJUWHXPZRBY-UHFFFAOYSA-N 1 0 405.524 1.117 20 0 HDADRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000674003998 1074042661 /nfs/dbraw/zinc/04/26/61/1074042661.db2.gz RJXQOWRKKSNUKL-UHFFFAOYSA-N 1 0 411.524 1.437 20 0 HDADRO O=C(NC1CCN(c2cccnn2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000429196403 1074051652 /nfs/dbraw/zinc/05/16/52/1074051652.db2.gz GHFVNIPEMLVYBW-CTNGQTDRSA-N 1 0 424.549 1.628 20 0 HDADRO O=C(NC1CCN(c2cccnn2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000429196405 1074051753 /nfs/dbraw/zinc/05/17/53/1074051753.db2.gz GHFVNIPEMLVYBW-FPOVZHCZSA-N 1 0 424.549 1.628 20 0 HDADRO O=S1(=O)C[C@@H]([NH2+]CCCc2ccc(C(F)(F)F)cc2)[C@H](N2CCOCC2)C1 ZINC000674006669 1074054429 /nfs/dbraw/zinc/05/44/29/1074054429.db2.gz YGYLOQLFNJZYKN-IAGOWNOFSA-N 1 0 406.470 1.725 20 0 HDADRO COCc1nc2n(n1)C[C@H](NC(=O)NCC1([NH+]3CCC(OC)CC3)CCCC1)CC2 ZINC000466597633 1074059790 /nfs/dbraw/zinc/05/97/90/1074059790.db2.gz OSASMWBSVALCBQ-MRXNPFEDSA-N 1 0 420.558 1.462 20 0 HDADRO C[C@@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C1CC[NH+](C)CC1 ZINC000674023626 1074081713 /nfs/dbraw/zinc/08/17/13/1074081713.db2.gz LFGBVABOZVKMEF-OAHLLOKOSA-N 1 0 424.571 1.015 20 0 HDADRO Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000059003808 1074088970 /nfs/dbraw/zinc/08/89/70/1074088970.db2.gz XMZISQDGMJUGFL-UHFFFAOYSA-N 1 0 418.475 1.364 20 0 HDADRO C[C@@H]1CC(=O)NCCN1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000674032881 1074091974 /nfs/dbraw/zinc/09/19/74/1074091974.db2.gz BLGNUVVKXFBLJH-GOSISDBHSA-N 1 0 402.539 1.978 20 0 HDADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC[C@H]3[C@@H](O)C(F)(F)F)cn2)CC1 ZINC000429205065 1074095577 /nfs/dbraw/zinc/09/55/77/1074095577.db2.gz QGCZKJYWAHVXJM-GOEBONIOSA-N 1 0 401.433 1.431 20 0 HDADRO C[N@H+](CCNC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)Cc1ccc(F)cc1 ZINC000674029027 1074095964 /nfs/dbraw/zinc/09/59/64/1074095964.db2.gz BVNGYGHDOIGXAK-GOSISDBHSA-N 1 0 413.497 1.935 20 0 HDADRO C[NH+](C)CCCOC1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000674029020 1074096045 /nfs/dbraw/zinc/09/60/45/1074096045.db2.gz BMOOKRABAUXWRA-UHFFFAOYSA-N 1 0 416.519 1.115 20 0 HDADRO C[N@H+](CCNC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)Cc1ccc(F)cc1 ZINC000674029028 1074096420 /nfs/dbraw/zinc/09/64/20/1074096420.db2.gz BVNGYGHDOIGXAK-SFHVURJKSA-N 1 0 413.497 1.935 20 0 HDADRO Cc1ccc(NC(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]1 ZINC000543558422 1074098665 /nfs/dbraw/zinc/09/86/65/1074098665.db2.gz LNXVJJQZOIYIBT-IYBDPMFKSA-N 1 0 404.511 1.772 20 0 HDADRO CC[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Oc1ccccc1F ZINC000674030525 1074099050 /nfs/dbraw/zinc/09/90/50/1074099050.db2.gz KSMMUTCEVHNJTL-MSOLQXFVSA-N 1 0 408.518 1.689 20 0 HDADRO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Oc1ccccc1F ZINC000674030526 1074099127 /nfs/dbraw/zinc/09/91/27/1074099127.db2.gz KSMMUTCEVHNJTL-QZTJIDSGSA-N 1 0 408.518 1.689 20 0 HDADRO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)[nH]c2=O)[NH+](C)C)cc1OC ZINC000543561118 1074100097 /nfs/dbraw/zinc/10/00/97/1074100097.db2.gz HNABKYACQSEYPU-HNNXBMFYSA-N 1 0 402.451 1.470 20 0 HDADRO CNS(=O)(=O)Cc1ccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000674033090 1074102711 /nfs/dbraw/zinc/10/27/11/1074102711.db2.gz UGBBDHWUHCYKHY-UHFFFAOYSA-N 1 0 408.568 1.942 20 0 HDADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@H]3[C@H](O)C(F)(F)F)ccn2)CC1 ZINC000429205843 1074106235 /nfs/dbraw/zinc/10/62/35/1074106235.db2.gz SNJRGGZEYJHWAN-HOCLYGCPSA-N 1 0 401.433 1.431 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(OC4CCC4)c(F)c3)CC2)C1 ZINC000674038773 1074109690 /nfs/dbraw/zinc/10/96/90/1074109690.db2.gz CASYUPSSBSRREI-KRWDZBQOSA-N 1 0 418.513 1.934 20 0 HDADRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)CCSC1 ZINC000674039603 1074111914 /nfs/dbraw/zinc/11/19/14/1074111914.db2.gz DEAXAMQTUHPZGD-HXUWFJFHSA-N 1 0 404.536 1.301 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)CC1 ZINC000466615916 1074115112 /nfs/dbraw/zinc/11/51/12/1074115112.db2.gz BRXYDKARWKPCSW-IAGOWNOFSA-N 1 0 409.575 1.347 20 0 HDADRO COCCOc1ccc(NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000543563924 1074116759 /nfs/dbraw/zinc/11/67/59/1074116759.db2.gz HLZFUKRLDNTCPZ-UHFFFAOYSA-N 1 0 405.543 1.988 20 0 HDADRO O=C(NCCC1CCN(CC(F)(F)F)CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000674037377 1074117392 /nfs/dbraw/zinc/11/73/92/1074117392.db2.gz GXFCKNBLVDHWRC-DLBZAZTESA-N 1 0 406.493 1.891 20 0 HDADRO O=C(NCCC1CCN(CC(F)(F)F)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000674037380 1074117628 /nfs/dbraw/zinc/11/76/28/1074117628.db2.gz GXFCKNBLVDHWRC-SJORKVTESA-N 1 0 406.493 1.891 20 0 HDADRO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)s1 ZINC000674044401 1074135453 /nfs/dbraw/zinc/13/54/53/1074135453.db2.gz RINJOUDZXNGUJB-CYBMUJFWSA-N 1 0 402.586 1.250 20 0 HDADRO CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N(C)CC[NH+](C)C ZINC000429214319 1074139294 /nfs/dbraw/zinc/13/92/94/1074139294.db2.gz XEJPEIUYUIZYFZ-UHFFFAOYSA-N 1 0 411.572 1.953 20 0 HDADRO CCc1cc(N2CCC(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](CC)C[C@@H]3C)CC2)ncn1 ZINC000674046072 1074139724 /nfs/dbraw/zinc/13/97/24/1074139724.db2.gz BOWGZPVLANEKRV-LPHOPBHVSA-N 1 0 416.570 1.313 20 0 HDADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674048798 1074141208 /nfs/dbraw/zinc/14/12/08/1074141208.db2.gz AVYZWSIHESKKPH-RFUYNDQBSA-N 1 0 408.524 1.308 20 0 HDADRO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674048856 1074141223 /nfs/dbraw/zinc/14/12/23/1074141223.db2.gz FYMFNYJXLJJADC-DEYYWGMASA-N 1 0 405.524 1.515 20 0 HDADRO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@@H](c1ccccc1)N1CCOCC1 ZINC000674049338 1074142701 /nfs/dbraw/zinc/14/27/01/1074142701.db2.gz 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CC[NH+]1CCN(CC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000674693805 1074526383 /nfs/dbraw/zinc/52/63/83/1074526383.db2.gz GRVNUJXZOUMDRK-UHFFFAOYSA-N 1 0 407.946 1.060 20 0 HDADRO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(N2CCOCC2)c1 ZINC000674700020 1074528573 /nfs/dbraw/zinc/52/85/73/1074528573.db2.gz ZYOCECSBTBBQQC-FQEVSTJZSA-N 1 0 415.582 1.799 20 0 HDADRO COC(=O)c1cc(Cl)cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000766065014 1074543546 /nfs/dbraw/zinc/54/35/46/1074543546.db2.gz MTNQGICHFGLVBB-INIZCTEOSA-N 1 0 408.886 1.897 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC2CCN(c3cccs3)CC2)CC1 ZINC000674777065 1074553395 /nfs/dbraw/zinc/55/33/95/1074553395.db2.gz HPFPFKZJHAUMAS-UHFFFAOYSA-N 1 0 407.584 1.959 20 0 HDADRO CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)ccn1 ZINC000674764271 1074558100 /nfs/dbraw/zinc/55/81/00/1074558100.db2.gz UKHTVXWMNDRLDW-GOSISDBHSA-N 1 0 409.490 1.455 20 0 HDADRO O=C(Nc1cnn(-c2ncccn2)c1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000674764917 1074559514 /nfs/dbraw/zinc/55/95/14/1074559514.db2.gz MVNQLKZUEMVWFJ-LJQANCHMSA-N 1 0 419.489 1.944 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000509236025 1074561031 /nfs/dbraw/zinc/56/10/31/1074561031.db2.gz FWBPUQQSWKHBIR-MRXNPFEDSA-N 1 0 417.597 1.870 20 0 HDADRO CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)Cn2nc3n(c2=O)CCCC3)c1 ZINC001128860038 1074595210 /nfs/dbraw/zinc/59/52/10/1074595210.db2.gz AHPRXBWRAYYLBN-UHFFFAOYSA-N 1 0 415.494 1.518 20 0 HDADRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)NCc1ccc(OCC(N)=O)cc1 ZINC000674870027 1074597133 /nfs/dbraw/zinc/59/71/33/1074597133.db2.gz ORPNCHRVBBKCMO-IBGZPJMESA-N 1 0 410.518 1.898 20 0 HDADRO O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000674887811 1074603972 /nfs/dbraw/zinc/60/39/72/1074603972.db2.gz OGMWNCSVAZBYGX-GOSISDBHSA-N 1 0 412.465 1.575 20 0 HDADRO CCC(=O)N1CCC([NH2+]Cc2cccc(NC(=O)CCN3CCOCC3)c2)CC1 ZINC000674909496 1074615290 /nfs/dbraw/zinc/61/52/90/1074615290.db2.gz 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412.538 1.639 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000670502721 1074815999 /nfs/dbraw/zinc/81/59/99/1074815999.db2.gz OACRLXNOLDDZTH-QFIPXVFZSA-N 1 0 423.561 1.344 20 0 HDADRO CCOc1ccc(CCNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1OCC ZINC000670502202 1074816577 /nfs/dbraw/zinc/81/65/77/1074816577.db2.gz YFWDWROBPWIMGW-INIZCTEOSA-N 1 0 405.539 1.989 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000477112163 1074817631 /nfs/dbraw/zinc/81/76/31/1074817631.db2.gz ZSVRIOIPFPYFKN-QZTJIDSGSA-N 1 0 404.555 1.370 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1)c1ccccc1 ZINC000670503504 1074818236 /nfs/dbraw/zinc/81/82/36/1074818236.db2.gz ICFLBLXXMPWEAV-GOSISDBHSA-N 1 0 410.522 1.349 20 0 HDADRO COCCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2S1(=O)=O ZINC000766110955 1074818669 /nfs/dbraw/zinc/81/86/69/1074818669.db2.gz VUMXQDDTRKANFA-NVXWUHKLSA-N 1 0 421.519 1.034 20 0 HDADRO 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HKVTWWXHBOTOIC-AWEZNQCLSA-N 1 0 401.492 1.795 20 0 HDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c2ccccc2O1 ZINC000675471024 1075167695 /nfs/dbraw/zinc/16/76/95/1075167695.db2.gz WKQGERONCKWOPJ-CYBMUJFWSA-N 1 0 403.460 1.535 20 0 HDADRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccnc2N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000466681494 1075167919 /nfs/dbraw/zinc/16/79/19/1075167919.db2.gz GLDMTNFUPVGBAC-HKUYNNGSSA-N 1 0 423.517 1.636 20 0 HDADRO COCC[NH+]1CCC(NC(=O)C(=O)Nc2nn([C@H](C)c3ccccc3)cc2C)CC1 ZINC000472406920 1075170690 /nfs/dbraw/zinc/17/06/90/1075170690.db2.gz KJLAAVSNDMGLQL-QGZVFWFLSA-N 1 0 413.522 1.966 20 0 HDADRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCN(CCO)[C@@H](C)C2)ccc1OC ZINC000429352706 1075170806 /nfs/dbraw/zinc/17/08/06/1075170806.db2.gz IJARQZNSBOVNDP-KRWDZBQOSA-N 1 0 408.543 1.946 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)Cn2cc(Br)ccc2=O)c2ccccc2O1 ZINC000675490044 1075175027 /nfs/dbraw/zinc/17/50/27/1075175027.db2.gz NGIXZCPFWLDXFK-AWEZNQCLSA-N 1 0 406.280 1.967 20 0 HDADRO 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CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)c1 ZINC000675500289 1075180147 /nfs/dbraw/zinc/18/01/47/1075180147.db2.gz KSXLWFVUJPCFRV-HSZRJFAPSA-N 1 0 417.550 1.943 20 0 HDADRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000675500068 1075180368 /nfs/dbraw/zinc/18/03/68/1075180368.db2.gz WTQHZWITXXDYKA-UHFFFAOYSA-N 1 0 422.468 1.835 20 0 HDADRO CCN(C(=O)C(=O)Nc1ccn(CCCOC)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446868732 1075187818 /nfs/dbraw/zinc/18/78/18/1075187818.db2.gz SLFQLEPMCUCRPT-LJQANCHMSA-N 1 0 413.522 1.981 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)c2ccccc2O1 ZINC000675511907 1075191111 /nfs/dbraw/zinc/19/11/11/1075191111.db2.gz ZBUXWYVSYPMKMI-ZHRRBRCNSA-N 1 0 408.458 1.711 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2F)c2ccccc2O1 ZINC000675512470 1075191511 /nfs/dbraw/zinc/19/15/11/1075191511.db2.gz PMJWCQURZFNHCI-HNNXBMFYSA-N 1 0 421.494 1.850 20 0 HDADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCCCN(C)S(C)(=O)=O ZINC000675530687 1075192571 /nfs/dbraw/zinc/19/25/71/1075192571.db2.gz KUERJEGFBHQJJQ-IAGOWNOFSA-N 1 0 410.584 1.724 20 0 HDADRO O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000437502926 1075192948 /nfs/dbraw/zinc/19/29/48/1075192948.db2.gz WOADVHDFTQUGNV-LJQANCHMSA-N 1 0 410.522 1.936 20 0 HDADRO O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000469255273 1075193090 /nfs/dbraw/zinc/19/30/90/1075193090.db2.gz IHMRHVXJJDJWMR-IBGZPJMESA-N 1 0 410.522 1.936 20 0 HDADRO COCCS(=O)(=O)c1ccc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000489970868 1075193449 /nfs/dbraw/zinc/19/34/49/1075193449.db2.gz IITZFGFEVKKGNN-UHFFFAOYSA-N 1 0 406.508 1.822 20 0 HDADRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000675538425 1075195006 /nfs/dbraw/zinc/19/50/06/1075195006.db2.gz GLLSDWFDTZRNBI-QUCCMNQESA-N 1 0 421.563 1.518 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)C1 ZINC000032269021 1075195360 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CN1CC[NH+](CC2CCN(C(=O)NC3CCN(c4nccs4)CC3)CC2)CC1 ZINC000466697568 1075273231 /nfs/dbraw/zinc/27/32/31/1075273231.db2.gz XDMIVIKVULPUIR-UHFFFAOYSA-N 1 0 406.600 1.781 20 0 HDADRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000675816982 1075276449 /nfs/dbraw/zinc/27/64/49/1075276449.db2.gz JCLLZCGGEDNRQH-KRWDZBQOSA-N 1 0 421.567 1.227 20 0 HDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)o1 ZINC000527104733 1075276500 /nfs/dbraw/zinc/27/65/00/1075276500.db2.gz YYZBMVLGVSOKGX-UHFFFAOYSA-N 1 0 410.478 1.757 20 0 HDADRO COc1cc(OC)c([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000675819029 1075277258 /nfs/dbraw/zinc/27/72/58/1075277258.db2.gz JYQWKJDSPJXHTH-CYBMUJFWSA-N 1 0 405.948 1.585 20 0 HDADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](CC(C)C)C3)CC2)cc1 ZINC000466704417 1075284148 /nfs/dbraw/zinc/28/41/48/1075284148.db2.gz CHCNGAXFRSBNOO-SFHVURJKSA-N 1 0 423.579 1.896 20 0 HDADRO COc1cc(OC)c(OC)cc1NC(=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000675919320 1075291774 /nfs/dbraw/zinc/29/17/74/1075291774.db2.gz YZJIXYLVDJUCBC-HNNXBMFYSA-N 1 0 421.494 1.364 20 0 HDADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC2(CC[N@H+](C[C@H]3CCNC(=O)CC3)C2)CC1 ZINC001035207747 1075293189 /nfs/dbraw/zinc/29/31/89/1075293189.db2.gz FXBMYVOBYFAVNN-KKEPMVJESA-N 1 0 401.551 1.641 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1=O ZINC000675911335 1075295470 /nfs/dbraw/zinc/29/54/70/1075295470.db2.gz TVIWEFWDSVGOOW-BHIYHBOVSA-N 1 0 404.555 1.369 20 0 HDADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000543220461 1075310953 /nfs/dbraw/zinc/31/09/53/1075310953.db2.gz GOTNWWPJOJWCED-AWEZNQCLSA-N 1 0 415.494 1.781 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000509375869 1075311790 /nfs/dbraw/zinc/31/17/90/1075311790.db2.gz XUDJJOYCEKNGMN-KRWDZBQOSA-N 1 0 413.526 1.524 20 0 HDADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000541403750 1075312182 /nfs/dbraw/zinc/31/21/82/1075312182.db2.gz HGPDRKLRSUKQER-MRXNPFEDSA-N 1 0 419.526 1.696 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)CC1 ZINC000429385211 1075317108 /nfs/dbraw/zinc/31/71/08/1075317108.db2.gz HJPJGLBYOJADFC-DDWQGHIRSA-N 1 0 400.589 1.262 20 0 HDADRO COc1cc(NC(=O)CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc(OC)c1 ZINC000491403114 1075318447 /nfs/dbraw/zinc/31/84/47/1075318447.db2.gz WYXYHJWRORROGP-UHFFFAOYSA-N 1 0 416.482 1.927 20 0 HDADRO COc1ccc2c(c1)OCC[C@@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000675996756 1075320612 /nfs/dbraw/zinc/32/06/12/1075320612.db2.gz VBBZWBAMXMGPHV-ROUUACIJSA-N 1 0 402.495 1.467 20 0 HDADRO Cc1ncc2c(n1)CCN(C(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C2 ZINC000676017430 1075325331 /nfs/dbraw/zinc/32/53/31/1075325331.db2.gz GGNMLUIXTPOGEJ-SFHVURJKSA-N 1 0 401.898 1.742 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1(N2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC000676029720 1075329556 /nfs/dbraw/zinc/32/95/56/1075329556.db2.gz VDNPAQLPYOBTFG-KRWDZBQOSA-N 1 0 408.930 1.040 20 0 HDADRO Cc1ccc([C@@H](Cn2ccnc2)NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c(C)c1 ZINC000441783651 1075331427 /nfs/dbraw/zinc/33/14/27/1075331427.db2.gz BIAUBIYEFRQMFW-LJQANCHMSA-N 1 0 423.521 1.754 20 0 HDADRO COc1cc(OC)c2ncnc(NCCCC[NH+]3CCN(c4ncccn4)CC3)c2c1 ZINC000433045669 1075332121 /nfs/dbraw/zinc/33/21/21/1075332121.db2.gz RFYFKMLTYHKTRK-UHFFFAOYSA-N 1 0 423.521 2.451 20 0 HDADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NCCOc2cccnc2)CC1 ZINC000804077176 1075332551 /nfs/dbraw/zinc/33/25/51/1075332551.db2.gz JEBRLEWTUIZIPX-UHFFFAOYSA-N 1 0 410.518 1.947 20 0 HDADRO C[C@H]1CN(C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000509378952 1075334248 /nfs/dbraw/zinc/33/42/48/1075334248.db2.gz FNTBXOYSHKZARN-RXVVDRJESA-N 1 0 416.566 1.243 20 0 HDADRO Cc1nc(-c2ccc(C)cc2NC(=O)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n[nH]1 ZINC000676039384 1075337980 /nfs/dbraw/zinc/33/79/80/1075337980.db2.gz 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HDADRO COc1ccc(-c2ccc(C)c(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)c2)cn1 ZINC000556181567 1075344009 /nfs/dbraw/zinc/34/40/09/1075344009.db2.gz ZYKJVHSAMQLOBV-UHFFFAOYSA-N 1 0 422.489 2.401 20 0 HDADRO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000676076577 1075344242 /nfs/dbraw/zinc/34/42/42/1075344242.db2.gz CQCVPLNEAKPKSV-HXUWFJFHSA-N 1 0 407.580 1.946 20 0 HDADRO COc1ccc(-c2nnc(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)s2)cc1 ZINC000436515156 1075347282 /nfs/dbraw/zinc/34/72/82/1075347282.db2.gz XUDZNBWMCYGLLX-UHFFFAOYSA-N 1 0 406.556 2.561 20 0 HDADRO Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000446813976 1075349007 /nfs/dbraw/zinc/34/90/07/1075349007.db2.gz UDTWXBYBEOFMLN-MOPGFXCFSA-N 1 0 413.522 2.198 20 0 HDADRO COc1cccc(N2CC[C@H](CNC(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C2)c1 ZINC000676092844 1075351372 /nfs/dbraw/zinc/35/13/72/1075351372.db2.gz BNBZCATWMYCFPR-MRXNPFEDSA-N 1 0 420.473 1.857 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cn1 ZINC000676092447 1075352399 /nfs/dbraw/zinc/35/23/99/1075352399.db2.gz INTVAPLGVDRIPS-UHFFFAOYSA-N 1 0 418.542 1.071 20 0 HDADRO O=C(CC1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1)NC1CCCC1 ZINC000676093732 1075353608 /nfs/dbraw/zinc/35/36/08/1075353608.db2.gz ZPGFKCLNJOORKR-UHFFFAOYSA-N 1 0 424.505 1.893 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(OC3CCCCC3)nc2)cn1 ZINC000676093547 1075353906 /nfs/dbraw/zinc/35/39/06/1075353906.db2.gz NRCKCJRDYWLTID-UHFFFAOYSA-N 1 0 414.510 1.806 20 0 HDADRO Cc1c(C(=O)NC2CCC3(CC2)OCCO3)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731459949 1075356095 /nfs/dbraw/zinc/35/60/95/1075356095.db2.gz MYIGXMOBQXKYSR-UHFFFAOYSA-N 1 0 411.506 1.979 20 0 HDADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)C1 ZINC000731466055 1075357300 /nfs/dbraw/zinc/35/73/00/1075357300.db2.gz PLBVQWPPGGATIZ-KOSHJBKYSA-N 1 0 418.497 1.899 20 0 HDADRO COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H](C(=O)OC)C1 ZINC000509380913 1075357321 /nfs/dbraw/zinc/35/73/21/1075357321.db2.gz RLMZGTOWXFOSLW-ZIFCJYIRSA-N 1 0 420.481 1.991 20 0 HDADRO CCn1c(=O)c2ccccc2n(CC(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)c1=O ZINC000731469083 1075358167 /nfs/dbraw/zinc/35/81/67/1075358167.db2.gz NKHQJIXXYHFKPV-KRWDZBQOSA-N 1 0 406.486 1.703 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC2(c3cccc(Br)c3)CC2)cn1 ZINC000676096054 1075358416 /nfs/dbraw/zinc/35/84/16/1075358416.db2.gz QPDYTQMUDPZIIZ-UHFFFAOYSA-N 1 0 420.311 1.951 20 0 HDADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CSc2nnnn2CC(F)(F)F)C1 ZINC000731469781 1075358465 /nfs/dbraw/zinc/35/84/65/1075358465.db2.gz XGSCEJZYYYJAIS-LBPRGKRZSA-N 1 0 400.430 1.847 20 0 HDADRO CN(C)[C@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1c(F)cccc1F ZINC000676096702 1075358840 /nfs/dbraw/zinc/35/88/40/1075358840.db2.gz NYSBGVPSZPYTIM-QGZVFWFLSA-N 1 0 414.416 1.903 20 0 HDADRO COC(=O)N1CCC[C@@H](NC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)C1 ZINC000731473820 1075359715 /nfs/dbraw/zinc/35/97/15/1075359715.db2.gz BRFLXVYNRJKBGO-MRXNPFEDSA-N 1 0 412.494 1.524 20 0 HDADRO CN(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1c(F)cccc1F ZINC000676097263 1075362559 /nfs/dbraw/zinc/36/25/59/1075362559.db2.gz YBWFTOHUGDSYSY-MRXNPFEDSA-N 1 0 408.453 1.081 20 0 HDADRO Cc1cc(N2CCC(NC(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)nc(C)n1 ZINC000676098883 1075363313 /nfs/dbraw/zinc/36/33/13/1075363313.db2.gz GEXWFXDMZFJAQJ-UHFFFAOYSA-N 1 0 420.477 1.398 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cn1 ZINC000676098657 1075363339 /nfs/dbraw/zinc/36/33/39/1075363339.db2.gz AECAQQZODQNFMH-OAHLLOKOSA-N 1 0 404.902 1.432 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc(Cl)c2-n2cccn2)cn1 ZINC000676099928 1075363941 /nfs/dbraw/zinc/36/39/41/1075363941.db2.gz KWRVHNVQURHYPA-UHFFFAOYSA-N 1 0 401.858 1.861 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000676099693 1075365010 /nfs/dbraw/zinc/36/50/10/1075365010.db2.gz VOQSEFQIZZZGNQ-IBGZPJMESA-N 1 0 413.478 1.783 20 0 HDADRO CC(C)CNC(=O)C1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000731487247 1075366991 /nfs/dbraw/zinc/36/69/91/1075366991.db2.gz HKYAHPVAKZGRPQ-SFHVURJKSA-N 1 0 402.495 1.348 20 0 HDADRO CS(=O)(=O)NCCc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000676086928 1075369379 /nfs/dbraw/zinc/36/93/79/1075369379.db2.gz CJDAWTZCOZYHRH-PMACEKPBSA-N 1 0 423.579 1.276 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(-n2cncn2)cc1 ZINC000676089078 1075371587 /nfs/dbraw/zinc/37/15/87/1075371587.db2.gz FLNBSABMTFVWJG-AWEZNQCLSA-N 1 0 402.418 1.664 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000676089952 1075372227 /nfs/dbraw/zinc/37/22/27/1075372227.db2.gz MQOALEPNXFAWGE-FQEVSTJZSA-N 1 0 420.473 1.396 20 0 HDADRO CCOc1cc2c(cc1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)O[C@H](C)C2 ZINC000676089322 1075372942 /nfs/dbraw/zinc/37/29/42/1075372942.db2.gz IDXDGRGLNVJEEN-CQSZACIVSA-N 1 0 415.494 1.422 20 0 HDADRO COc1cc(C)c([C@@H](C)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1OC ZINC000676089293 1075372963 /nfs/dbraw/zinc/37/29/63/1075372963.db2.gz IXFVEWDLFNMBCQ-CQSZACIVSA-N 1 0 403.483 1.586 20 0 HDADRO CN(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1Cl ZINC000676090104 1075373706 /nfs/dbraw/zinc/37/37/06/1075373706.db2.gz PQZXNZZEUYOTAF-KRWDZBQOSA-N 1 0 406.918 1.456 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000676090311 1075375252 /nfs/dbraw/zinc/37/52/52/1075375252.db2.gz XLFWWRFBHTWGGZ-LJQANCHMSA-N 1 0 418.457 1.686 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cn1 ZINC000676092005 1075375971 /nfs/dbraw/zinc/37/59/71/1075375971.db2.gz RHFFOBHBOPFMDM-UHFFFAOYSA-N 1 0 416.501 1.257 20 0 HDADRO NC(=O)c1ccc(CN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C2CC2)cc1 ZINC000676091653 1075376214 /nfs/dbraw/zinc/37/62/14/1075376214.db2.gz SAYGQCHVAHANSD-UHFFFAOYSA-N 1 0 404.430 1.496 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cn1 ZINC000676091564 1075376740 /nfs/dbraw/zinc/37/67/40/1075376740.db2.gz DKRCFIUTWRMOMM-UHFFFAOYSA-N 1 0 413.522 1.960 20 0 HDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000804087442 1075377817 /nfs/dbraw/zinc/37/78/17/1075377817.db2.gz JLHMAKKSYMQTGD-ZACQAIPSSA-N 1 0 408.543 1.539 20 0 HDADRO CCOc1cccc([C@H]2C[C@@H]2NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000427307671 1075378319 /nfs/dbraw/zinc/37/83/19/1075378319.db2.gz IKKJXDJHLNILCV-MOPGFXCFSA-N 1 0 411.506 2.159 20 0 HDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804089878 1075381078 /nfs/dbraw/zinc/38/10/78/1075381078.db2.gz ZDGVNJYUMOHHBX-IXDOHACOSA-N 1 0 410.559 1.881 20 0 HDADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000804089693 1075381374 /nfs/dbraw/zinc/38/13/74/1075381374.db2.gz XXRYFMJXOBKKDW-BBWFWOEESA-N 1 0 408.543 1.635 20 0 HDADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000804089659 1075381783 /nfs/dbraw/zinc/38/17/83/1075381783.db2.gz CTXNMRMTGGYGGU-LTIDMASMSA-N 1 0 410.559 1.880 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000731542621 1075384436 /nfs/dbraw/zinc/38/44/36/1075384436.db2.gz CHARTYZLLUIVIF-UHFFFAOYSA-N 1 0 414.510 1.420 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000731543403 1075384471 /nfs/dbraw/zinc/38/44/71/1075384471.db2.gz KVHWSIQFUZJPGT-UHFFFAOYSA-N 1 0 413.563 1.485 20 0 HDADRO O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000429398079 1075387706 /nfs/dbraw/zinc/38/77/06/1075387706.db2.gz UKQMOSCMXPPGAG-SFHVURJKSA-N 1 0 406.914 1.952 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804091517 1075389470 /nfs/dbraw/zinc/38/94/70/1075389470.db2.gz NXANTMPYIDOCQW-GVDBMIGSSA-N 1 0 410.559 1.928 20 0 HDADRO O=C(Nc1ccc2c(c1)C(=O)NCC2)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000676131097 1075391141 /nfs/dbraw/zinc/39/11/41/1075391141.db2.gz MUGNQFVUNDWUMA-RXVVDRJESA-N 1 0 408.502 1.977 20 0 HDADRO CN(C)C(=O)CNC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1Cl ZINC000676135103 1075393908 /nfs/dbraw/zinc/39/39/08/1075393908.db2.gz UZVOZOWFAXEXSD-OAHLLOKOSA-N 1 0 421.929 1.764 20 0 HDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)C2)CC1 ZINC000676147490 1075398650 /nfs/dbraw/zinc/39/86/50/1075398650.db2.gz HLZYGIDFROQEPA-ZHRRBRCNSA-N 1 0 419.570 1.162 20 0 HDADRO O=C(NC1CCN(CC(F)F)CC1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000676148661 1075399042 /nfs/dbraw/zinc/39/90/42/1075399042.db2.gz ZLFNVPYKPXJIHZ-MJGOQNOKSA-N 1 0 410.509 1.898 20 0 HDADRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000543659265 1075399738 /nfs/dbraw/zinc/39/97/38/1075399738.db2.gz WBTNLMXDKREOHT-FQEVSTJZSA-N 1 0 401.532 1.774 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000676169650 1075410694 /nfs/dbraw/zinc/41/06/94/1075410694.db2.gz YIMGBFNDCRSMSF-OALUTQOASA-N 1 0 407.559 1.297 20 0 HDADRO CN1CCN(C(=O)C[NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC000429399086 1075411876 /nfs/dbraw/zinc/41/18/76/1075411876.db2.gz VZUZNMHEGAAUGG-DENIHFKCSA-N 1 0 413.493 1.940 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000731619554 1075416034 /nfs/dbraw/zinc/41/60/34/1075416034.db2.gz QSRJMRKUZQSTQE-UHFFFAOYSA-N 1 0 422.464 1.448 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@H](N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000466719949 1075419805 /nfs/dbraw/zinc/41/98/05/1075419805.db2.gz SXEMFNSCXQBBGG-AEFFLSMTSA-N 1 0 420.579 1.742 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000676191175 1075421033 /nfs/dbraw/zinc/42/10/33/1075421033.db2.gz LKNBHSXARGWZIF-OALUTQOASA-N 1 0 406.548 1.877 20 0 HDADRO NS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)s1 ZINC000676186084 1075424973 /nfs/dbraw/zinc/42/49/73/1075424973.db2.gz FAJUVSVJHRNDSX-CQSZACIVSA-N 1 0 401.554 1.041 20 0 HDADRO CC(C)C[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000466719393 1075441194 /nfs/dbraw/zinc/44/11/94/1075441194.db2.gz RKRBDTLBOSDBNF-WIYYLYMNSA-N 1 0 415.534 1.865 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H](C)[C@H]3CN(C)CCO3)cc2)CC1 ZINC000676243102 1075444545 /nfs/dbraw/zinc/44/45/45/1075444545.db2.gz IKHMWYKDJSYDNX-WIYYLYMNSA-N 1 0 403.571 1.342 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)c1ccsc1 ZINC000731680107 1075462295 /nfs/dbraw/zinc/46/22/95/1075462295.db2.gz DIBSDBLHPYSACW-INIZCTEOSA-N 1 0 402.586 1.159 20 0 HDADRO CCNS(=O)(=O)CCNC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000731681179 1075463620 /nfs/dbraw/zinc/46/36/20/1075463620.db2.gz LXDQQFOCPXRQFS-IYBDPMFKSA-N 1 0 412.556 1.034 20 0 HDADRO O=C(NCCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1ccn[nH]1 ZINC000509395064 1075464363 /nfs/dbraw/zinc/46/43/63/1075464363.db2.gz UHHQUIAIIPBSNF-GOSISDBHSA-N 1 0 409.412 1.710 20 0 HDADRO CS(=O)(=O)CCN1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000731683018 1075465953 /nfs/dbraw/zinc/46/59/53/1075465953.db2.gz YCXBIRMYLGLCIM-HXUWFJFHSA-N 1 0 422.595 1.459 20 0 HDADRO O=C(NCc1nc(-c2cccc(F)c2)no1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000676252630 1075469919 /nfs/dbraw/zinc/46/99/19/1075469919.db2.gz ZLJJKPXLUZXQRR-UHFFFAOYSA-N 1 0 410.409 1.236 20 0 HDADRO COc1cccc(Cc2nnc(NC(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)s2)c1 ZINC000466150824 1075477523 /nfs/dbraw/zinc/47/75/23/1075477523.db2.gz VOLRIEAPWPVGSR-OAHLLOKOSA-N 1 0 418.567 2.143 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CN(C)CCO1 ZINC000676278776 1075479738 /nfs/dbraw/zinc/47/97/38/1075479738.db2.gz JRFNSPPPYQLQJU-YLJYHZDGSA-N 1 0 402.539 1.489 20 0 HDADRO CC[NH+](CC)CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000676280864 1075485588 /nfs/dbraw/zinc/48/55/88/1075485588.db2.gz UJCJJXMGZPFKKG-LPHOPBHVSA-N 1 0 406.527 1.181 20 0 HDADRO CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000544460197 1075487239 /nfs/dbraw/zinc/48/72/39/1075487239.db2.gz BGHWIXJYHTXLCA-WFASDCNBSA-N 1 0 411.524 1.820 20 0 HDADRO CC[C@H](C)n1nc(NC(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1C ZINC000553673821 1075488754 /nfs/dbraw/zinc/48/87/54/1075488754.db2.gz CNSINJAJENMYSP-INIZCTEOSA-N 1 0 405.543 2.062 20 0 HDADRO CC[C@H](C)n1nc(NC(=O)C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1C ZINC000542898772 1075491110 /nfs/dbraw/zinc/49/11/10/1075491110.db2.gz WVDZXHIWXVOJKE-HNAYVOBHSA-N 1 0 413.522 1.984 20 0 HDADRO CC(C)[N@H+](C)CCCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000509401152 1075491448 /nfs/dbraw/zinc/49/14/48/1075491448.db2.gz DJCFGFPAAKLFLS-UHFFFAOYSA-N 1 0 411.568 1.487 20 0 HDADRO C[C@H](NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H]1CN(C)CCO1 ZINC000676308368 1075494036 /nfs/dbraw/zinc/49/40/36/1075494036.db2.gz WCPPNOHRSQPVFG-RXVVDRJESA-N 1 0 409.619 1.543 20 0 HDADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000676299679 1075501488 /nfs/dbraw/zinc/50/14/88/1075501488.db2.gz OSIDISNTZDVYTM-RTBURBONSA-N 1 0 415.582 1.558 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN([C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 ZINC000466726322 1075502462 /nfs/dbraw/zinc/50/24/62/1075502462.db2.gz IIAYAHXAFGNTGJ-MRXNPFEDSA-N 1 0 422.551 1.126 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)NCCS(=O)(=O)NCC3CCC3)cc2)CC1 ZINC000731751395 1075507645 /nfs/dbraw/zinc/50/76/45/1075507645.db2.gz JZNXDZNPNGHJAQ-UHFFFAOYSA-N 1 0 423.583 1.670 20 0 HDADRO CCCn1c2ccccc2n(CCC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1=O ZINC000676341795 1075515240 /nfs/dbraw/zinc/51/52/40/1075515240.db2.gz DECHSIPYLKMKNZ-SFHVURJKSA-N 1 0 400.523 1.973 20 0 HDADRO COc1ccccc1[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000426919036 1075515812 /nfs/dbraw/zinc/51/58/12/1075515812.db2.gz QJTFMRZJSWNJKY-SFHVURJKSA-N 1 0 411.506 2.461 20 0 HDADRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676345244 1075517919 /nfs/dbraw/zinc/51/79/19/1075517919.db2.gz NAIQRENTPZRUOI-MRXNPFEDSA-N 1 0 401.511 1.593 20 0 HDADRO CCOc1ccc(-n2ncc(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)c2C)nn1 ZINC000676344329 1075518581 /nfs/dbraw/zinc/51/85/81/1075518581.db2.gz AMBUJOKDIGJTGP-MRXNPFEDSA-N 1 0 400.483 1.353 20 0 HDADRO COc1cc(OC)cc(N2C[C@H](C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC2=O)c1 ZINC000676344572 1075518675 /nfs/dbraw/zinc/51/86/75/1075518675.db2.gz PJANQMHOTFCZKW-WBVHZDCISA-N 1 0 417.506 1.426 20 0 HDADRO COCCNC(=O)CSc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676344367 1075518693 /nfs/dbraw/zinc/51/86/93/1075518693.db2.gz BNKAHTVZFPXUBT-QGZVFWFLSA-N 1 0 421.563 1.524 20 0 HDADRO O=C(CCNC(=O)N1CCc2ccccc2C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676345848 1075519043 /nfs/dbraw/zinc/51/90/43/1075519043.db2.gz VDOPLGJENLDBLK-HXUWFJFHSA-N 1 0 400.523 1.514 20 0 HDADRO CN(c1ccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1)C1CC[NH+](C)CC1 ZINC000731782625 1075523005 /nfs/dbraw/zinc/52/30/05/1075523005.db2.gz CEMYSLJOBQGYBQ-UHFFFAOYSA-N 1 0 405.524 1.455 20 0 HDADRO CCc1ccc([C@H](CNC(=O)Nc2ncn(CC(=O)N(C)C)n2)[NH+](CC)CC)cc1 ZINC000432951286 1075524269 /nfs/dbraw/zinc/52/42/69/1075524269.db2.gz SQXXTPSIZVMNKE-SFHVURJKSA-N 1 0 415.542 2.133 20 0 HDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000429428847 1075526329 /nfs/dbraw/zinc/52/63/29/1075526329.db2.gz JVOKJTXLJWIOJH-HNNXBMFYSA-N 1 0 410.540 1.263 20 0 HDADRO CCOC(=O)C1=C(CN2CCC[C@@H]([NH+](C)C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000731847332 1075530764 /nfs/dbraw/zinc/53/07/64/1075530764.db2.gz HDRWQYZKLMMYFA-OXQOHEQNSA-N 1 0 416.522 1.892 20 0 HDADRO C[C@@H]1CCCC[C@@]1(CNC(=O)OC(C)(C)C)[NH2+]CC(=O)NCC(=O)N1CCCC1 ZINC000731847565 1075530809 /nfs/dbraw/zinc/53/08/09/1075530809.db2.gz WKLTXRBYNYBFQJ-IERDGZPVSA-N 1 0 410.559 1.788 20 0 HDADRO CCC[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C(=O)N1CCc2sccc2C1 ZINC000429429956 1075532184 /nfs/dbraw/zinc/53/21/84/1075532184.db2.gz RKCOZNZMFWLVDL-MRXNPFEDSA-N 1 0 418.567 2.381 20 0 HDADRO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000731850307 1075532485 /nfs/dbraw/zinc/53/24/85/1075532485.db2.gz UVHLEMNCADZCOL-KRWDZBQOSA-N 1 0 419.526 1.051 20 0 HDADRO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000731851207 1075533140 /nfs/dbraw/zinc/53/31/40/1075533140.db2.gz LYUIMKJIMFNPDM-HNNXBMFYSA-N 1 0 404.554 1.215 20 0 HDADRO Cc1cc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc(S(N)(=O)=O)c1C ZINC000509411982 1075533471 /nfs/dbraw/zinc/53/34/71/1075533471.db2.gz VYCMBJJKKFXQJJ-UHFFFAOYSA-N 1 0 423.579 1.915 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000676386008 1075533807 /nfs/dbraw/zinc/53/38/07/1075533807.db2.gz BABJDQGDUNTXKG-IAGOWNOFSA-N 1 0 414.506 1.567 20 0 HDADRO C[N@@H+]1CC[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1 ZINC000731852426 1075534463 /nfs/dbraw/zinc/53/44/63/1075534463.db2.gz PMRXIGQDXVFFOY-ZDUSSCGKSA-N 1 0 400.932 1.204 20 0 HDADRO CN(C(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000676371369 1075536502 /nfs/dbraw/zinc/53/65/02/1075536502.db2.gz LYISWDWJPJMBHO-LJQANCHMSA-N 1 0 409.552 1.938 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000804221762 1075547304 /nfs/dbraw/zinc/54/73/04/1075547304.db2.gz VGFFGCMZNFVQGS-HOTGVXAUSA-N 1 0 422.545 1.811 20 0 HDADRO O=C1C[C@H]([NH2+]Cc2ccc(Br)cc2F)CN1CCN1CCOCC1 ZINC000676420047 1075549386 /nfs/dbraw/zinc/54/93/86/1075549386.db2.gz ZWHAZXVKVRJBLM-HNNXBMFYSA-N 1 0 400.292 1.611 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000731873950 1075549405 /nfs/dbraw/zinc/54/94/05/1075549405.db2.gz XWTWMMIKMPHGQF-IERDGZPVSA-N 1 0 402.495 1.453 20 0 HDADRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cccc(NS(C)(=O)=O)c2)s1 ZINC000676421139 1075549833 /nfs/dbraw/zinc/54/98/33/1075549833.db2.gz YVGTUKUKKIROQL-UHFFFAOYSA-N 1 0 403.551 1.496 20 0 HDADRO Cc1ccc(S(=O)(=O)n2ccc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c2)cc1 ZINC000731878068 1075550181 /nfs/dbraw/zinc/55/01/81/1075550181.db2.gz FIZZWVRQTSQNTP-ROUUACIJSA-N 1 0 403.504 1.627 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)C1 ZINC000676452521 1075558640 /nfs/dbraw/zinc/55/86/40/1075558640.db2.gz CKDIZXVNIMWXEF-TZIWHRDSSA-N 1 0 420.513 1.962 20 0 HDADRO O=C(C[N@@H+]1CCC[C@@H](n2ccnc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000676477619 1075560690 /nfs/dbraw/zinc/56/06/90/1075560690.db2.gz JRXMVXWHKUMPDJ-GOSISDBHSA-N 1 0 417.535 1.053 20 0 HDADRO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)CCO2 ZINC000676494622 1075565670 /nfs/dbraw/zinc/56/56/70/1075565670.db2.gz BCGHLSMTRYWPEL-IBGZPJMESA-N 1 0 419.522 1.330 20 0 HDADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCc3sc(Br)cc3C2)CC1=O ZINC000676478816 1075566018 /nfs/dbraw/zinc/56/60/18/1075566018.db2.gz MJKPMDDDQSSIRD-GFCCVEGCSA-N 1 0 400.342 1.805 20 0 HDADRO CC(=O)Nc1ccc(NC(=S)NNC2=[NH+]CC3=CNN(C(C)(C)C)C3=N2)cc1 ZINC000731947853 1075572901 /nfs/dbraw/zinc/57/29/01/1075572901.db2.gz NACQAWIBDVOANN-UHFFFAOYSA-N 1 0 400.512 1.707 20 0 HDADRO C[C@@H](CNC(=O)Nc1nnc(Cc2cccc(F)c2)s1)C[NH+]1CCN(C)CC1 ZINC000438027046 1075575166 /nfs/dbraw/zinc/57/51/66/1075575166.db2.gz OECNBLJVMGBPIT-AWEZNQCLSA-N 1 0 406.531 2.273 20 0 HDADRO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH+]3CCCC3)C1)CCO2 ZINC000676531988 1075576882 /nfs/dbraw/zinc/57/68/82/1075576882.db2.gz UQLWQVHRHLKLPG-APWZRJJASA-N 1 0 401.507 1.969 20 0 HDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000429444629 1075580017 /nfs/dbraw/zinc/58/00/17/1075580017.db2.gz HTJLCZQESWBWMN-JKSUJKDBSA-N 1 0 422.551 1.406 20 0 HDADRO CN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732004620 1075584733 /nfs/dbraw/zinc/58/47/33/1075584733.db2.gz NWPBWALGVVMLPE-HXUWFJFHSA-N 1 0 409.490 1.710 20 0 HDADRO CN(C(=O)CCc1ccc(S(N)(=O)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732005500 1075584978 /nfs/dbraw/zinc/58/49/78/1075584978.db2.gz AKYAITXDFTXLLC-UHFFFAOYSA-N 1 0 405.520 1.870 20 0 HDADRO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCNS(=O)(=O)NC(C)C)cc1 ZINC000429447608 1075585294 /nfs/dbraw/zinc/58/52/94/1075585294.db2.gz SBQHGHHEOUXDJZ-ROUUACIJSA-N 1 0 417.597 1.502 20 0 HDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000429447727 1075585928 /nfs/dbraw/zinc/58/59/28/1075585928.db2.gz IDBZQFPIEYGRPG-LBPRGKRZSA-N 1 0 421.361 1.588 20 0 HDADRO CN(CC(=O)NCCCCC[NH+]1CCCCC1)C1=NS(=O)(=O)c2ccccc21 ZINC000732022827 1075588756 /nfs/dbraw/zinc/58/87/56/1075588756.db2.gz UABWLNYXEAZMES-UHFFFAOYSA-N 1 0 406.552 1.840 20 0 HDADRO O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676555943 1075588750 /nfs/dbraw/zinc/58/87/50/1075588750.db2.gz LPMTZGQVLWZDME-AYOQOUSVSA-N 1 0 401.511 1.476 20 0 HDADRO O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676555945 1075588835 /nfs/dbraw/zinc/58/88/35/1075588835.db2.gz LPMTZGQVLWZDME-SNRMKQJTSA-N 1 0 401.511 1.476 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1-n1cnnn1 ZINC000676555713 1075589210 /nfs/dbraw/zinc/58/92/10/1075589210.db2.gz GLXHYZOAHUPTLV-DNVCBOLYSA-N 1 0 409.494 1.385 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)/C=C\c3cncc(C(=O)NC)c3)cc2)CC1 ZINC000732058251 1075596895 /nfs/dbraw/zinc/59/68/95/1075596895.db2.gz QUHRUVMIOMGFHK-HJWRWDBZSA-N 1 0 421.545 1.908 20 0 HDADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)cc1 ZINC000429450824 1075597418 /nfs/dbraw/zinc/59/74/18/1075597418.db2.gz LXLXGONHHSSTOA-HNNXBMFYSA-N 1 0 420.601 1.200 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC(=O)OCC(F)(F)F)cc2)C1 ZINC000732066136 1075601405 /nfs/dbraw/zinc/60/14/05/1075601405.db2.gz CQBORCDFSCFCMS-ZDUSSCGKSA-N 1 0 416.400 1.611 20 0 HDADRO CC[NH+]1CCC(N(C)C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 ZINC000732068744 1075601707 /nfs/dbraw/zinc/60/17/07/1075601707.db2.gz YZWTYBQCKDYTNB-UHFFFAOYSA-N 1 0 410.359 1.714 20 0 HDADRO COC1(CNC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)CCOCC1 ZINC000676564624 1075602565 /nfs/dbraw/zinc/60/25/65/1075602565.db2.gz BZFAIAZBCFTYBU-HXUWFJFHSA-N 1 0 404.555 1.860 20 0 HDADRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000732072593 1075604677 /nfs/dbraw/zinc/60/46/77/1075604677.db2.gz NBJGSBHLTGSXSH-VIFPVBQESA-N 1 0 410.359 1.714 20 0 HDADRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000550717344 1075606132 /nfs/dbraw/zinc/60/61/32/1075606132.db2.gz DUNXWNKXGMYOTG-CYBMUJFWSA-N 1 0 420.311 2.126 20 0 HDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000429452439 1075607227 /nfs/dbraw/zinc/60/72/27/1075607227.db2.gz NQFDALPMCCCYIR-CQSZACIVSA-N 1 0 404.964 1.499 20 0 HDADRO Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000429452661 1075607235 /nfs/dbraw/zinc/60/72/35/1075607235.db2.gz QNSFAAONNUZQMY-QGZVFWFLSA-N 1 0 419.595 1.239 20 0 HDADRO O=C(Nc1ccc2c(cnn2C(F)F)c1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000676616696 1075617644 /nfs/dbraw/zinc/61/76/44/1075617644.db2.gz GXWUIFIVWYPTRB-UHFFFAOYSA-N 1 0 420.464 1.610 20 0 HDADRO CN(CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000804181946 1075618371 /nfs/dbraw/zinc/61/83/71/1075618371.db2.gz VJTGSOBAIWHDCD-UHFFFAOYSA-N 1 0 418.538 1.704 20 0 HDADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C(=O)NCCc3nc(N)no3)ccc21 ZINC000538108405 1075619327 /nfs/dbraw/zinc/61/93/27/1075619327.db2.gz WXVZKMRGTAICKW-UHFFFAOYSA-N 1 0 413.482 1.246 20 0 HDADRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(c3nc(N)ns3)CC2)c1 ZINC000426237123 1075619416 /nfs/dbraw/zinc/61/94/16/1075619416.db2.gz HTUCYVCOQUDOKE-UHFFFAOYSA-N 1 0 403.556 1.994 20 0 HDADRO CO[C@H](C)c1noc(CN2CCCN(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)n1 ZINC000429455148 1075621641 /nfs/dbraw/zinc/62/16/41/1075621641.db2.gz QWQVIWNVEUKIOV-BRWVUGGUSA-N 1 0 408.547 1.867 20 0 HDADRO CCCCn1c(N)c(N(C(=O)C[N@H+](C)C[C@@H](O)C2CC2)C2CCCC2)c(=O)[nH]c1=O ZINC000676633035 1075625624 /nfs/dbraw/zinc/62/56/24/1075625624.db2.gz SIWDMKCCUHXIIK-MRXNPFEDSA-N 1 0 421.542 1.310 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000485333739 1075626277 /nfs/dbraw/zinc/62/62/77/1075626277.db2.gz XBNYTPFEXCSZNH-QGZVFWFLSA-N 1 0 411.554 1.914 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C ZINC000804183287 1075627345 /nfs/dbraw/zinc/62/73/45/1075627345.db2.gz QWPKLCRDTQOZNJ-SJLPKXTDSA-N 1 0 418.538 1.606 20 0 HDADRO COc1cccc(/C=C(\C(=O)N(C)CCCN2CC[NH+](C)CC2)n2nnnc2C)c1 ZINC000732115057 1075628610 /nfs/dbraw/zinc/62/86/10/1075628610.db2.gz WNMQLSIVCLQUOY-CAPFRKAQSA-N 1 0 413.526 1.084 20 0 HDADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000676649534 1075632702 /nfs/dbraw/zinc/63/27/02/1075632702.db2.gz SMXFSGDXSJVQBU-YJBOKZPZSA-N 1 0 409.556 1.330 20 0 HDADRO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000732134952 1075632752 /nfs/dbraw/zinc/63/27/52/1075632752.db2.gz BWTOSBQDJJHRNH-HXUWFJFHSA-N 1 0 423.521 1.878 20 0 HDADRO Cn1cc(/C=C\C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(=O)n(C)c1=O ZINC000732134501 1075633092 /nfs/dbraw/zinc/63/30/92/1075633092.db2.gz AGWBVGOMJNVZBT-JGEKLNCASA-N 1 0 408.502 1.409 20 0 HDADRO COCC(=O)NC1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000676649674 1075633936 /nfs/dbraw/zinc/63/39/36/1075633936.db2.gz ZDBRLVCUPSOJRJ-MRXNPFEDSA-N 1 0 403.527 1.544 20 0 HDADRO CC(C)n1ncc2cc(C=CC(=O)N(C)CCCN3CC[NH+](C)CC3)c(=O)[nH]c21 ZINC000732114455 1075635961 /nfs/dbraw/zinc/63/59/61/1075635961.db2.gz MUCBUKIQJMKNSS-VOTSOKGWSA-N 1 0 400.527 1.415 20 0 HDADRO CC(=O)N1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCOCC2)Oc2ccccc21 ZINC000732160041 1075641831 /nfs/dbraw/zinc/64/18/31/1075641831.db2.gz PTUVSVSEMANKPR-FQEVSTJZSA-N 1 0 401.507 1.952 20 0 HDADRO CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@@H]1C[NH+]2CCC1CC2 ZINC000732161667 1075642208 /nfs/dbraw/zinc/64/22/08/1075642208.db2.gz YZSYLLUZHDQUSV-GOSISDBHSA-N 1 0 411.499 1.013 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000732149339 1075649734 /nfs/dbraw/zinc/64/97/34/1075649734.db2.gz HVKVXWSGAAXJLP-RBUKOAKNSA-N 1 0 402.539 1.710 20 0 HDADRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1 ZINC000732149334 1075649778 /nfs/dbraw/zinc/64/97/78/1075649778.db2.gz HTUDKOVDEYWFCT-CQSZACIVSA-N 1 0 407.565 1.290 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSCc2nc(N)c3ccccc3n2)C1 ZINC000517965317 1075652083 /nfs/dbraw/zinc/65/20/83/1075652083.db2.gz GZCNADFXGVTEQJ-OAHLLOKOSA-N 1 0 403.552 1.918 20 0 HDADRO CNC(=O)c1nn(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(=O)c2ccccc21 ZINC000732187541 1075653615 /nfs/dbraw/zinc/65/36/15/1075653615.db2.gz PQZPQFWBFVPWOI-QGZVFWFLSA-N 1 0 405.502 1.920 20 0 HDADRO CN(Cn1nc(CCC(N)=O)n(C[C@@H]2CCCO2)c1=S)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732190071 1075655381 /nfs/dbraw/zinc/65/53/81/1075655381.db2.gz WJDXGDNJNSHEKA-CVEARBPZSA-N 1 0 408.572 1.137 20 0 HDADRO COC(=O)CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000732196723 1075657473 /nfs/dbraw/zinc/65/74/73/1075657473.db2.gz PKYHSEWSRAUWDE-UHFFFAOYSA-N 1 0 417.428 1.724 20 0 HDADRO COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000027594256 1075664249 /nfs/dbraw/zinc/66/42/49/1075664249.db2.gz VGRVJMROEILLID-LJQANCHMSA-N 1 0 423.510 1.783 20 0 HDADRO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000509432050 1075668369 /nfs/dbraw/zinc/66/83/69/1075668369.db2.gz PCJBTXXGFSCISF-NWDGAFQWSA-N 1 0 410.540 1.556 20 0 HDADRO O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000732211104 1075668475 /nfs/dbraw/zinc/66/84/75/1075668475.db2.gz JDFQKZJRBJAZSP-KRWDZBQOSA-N 1 0 418.563 1.509 20 0 HDADRO CNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000676743499 1075668504 /nfs/dbraw/zinc/66/85/04/1075668504.db2.gz VRRHORVHLGQBRM-QZTJIDSGSA-N 1 0 410.540 1.165 20 0 HDADRO CNS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000676739393 1075671486 /nfs/dbraw/zinc/67/14/86/1075671486.db2.gz RRKJVVJEZMBATR-NSHDSACASA-N 1 0 405.904 1.309 20 0 HDADRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000732198797 1075674219 /nfs/dbraw/zinc/67/42/19/1075674219.db2.gz FTSIPRPZRVUJPA-SFHVURJKSA-N 1 0 410.559 1.110 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)CC1 ZINC000732202140 1075674711 /nfs/dbraw/zinc/67/47/11/1075674711.db2.gz VRXMRWWODOUKOJ-QGZVFWFLSA-N 1 0 421.496 1.866 20 0 HDADRO CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000732222114 1075675339 /nfs/dbraw/zinc/67/53/39/1075675339.db2.gz OQMIJPQHXBCTIN-UHFFFAOYSA-N 1 0 402.480 1.428 20 0 HDADRO CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCC[NH+](C)C)c1 ZINC000072111031 1075677818 /nfs/dbraw/zinc/67/78/18/1075677818.db2.gz WSYQRNJSJWLODC-UHFFFAOYSA-N 1 0 410.584 1.999 20 0 HDADRO COc1ccc(S(=O)(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)cc1C(N)=O ZINC000732222268 1075680944 /nfs/dbraw/zinc/68/09/44/1075680944.db2.gz UPFXJBMRTNIUIG-UHFFFAOYSA-N 1 0 407.492 1.560 20 0 HDADRO CN(c1ccccc1CN1CCN(c2nc(N)ns2)CC1)C1CC[NH+](C)CC1 ZINC000539910522 1075681468 /nfs/dbraw/zinc/68/14/68/1075681468.db2.gz BVYJWTVPUCMBKH-UHFFFAOYSA-N 1 0 401.584 1.973 20 0 HDADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000429465434 1075684241 /nfs/dbraw/zinc/68/42/41/1075684241.db2.gz GAOZMEXJVPSSOX-ZDUSSCGKSA-N 1 0 409.918 1.379 20 0 HDADRO CC[N@H+](C)Cc1cccc(CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 ZINC000141730405 1075687185 /nfs/dbraw/zinc/68/71/85/1075687185.db2.gz DLNUKBWNJBFDBU-UHFFFAOYSA-N 1 0 414.531 1.883 20 0 HDADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000028903878 1075689096 /nfs/dbraw/zinc/68/90/96/1075689096.db2.gz LDUADIWQZLUOQR-INIZCTEOSA-N 1 0 407.536 1.454 20 0 HDADRO CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000429464700 1075691578 /nfs/dbraw/zinc/69/15/78/1075691578.db2.gz JTZGPRGUZXDUDL-INIZCTEOSA-N 1 0 403.527 1.362 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000732307132 1075694690 /nfs/dbraw/zinc/69/46/90/1075694690.db2.gz DGJPCFYHPLWLFT-IXDOHACOSA-N 1 0 408.543 1.445 20 0 HDADRO CCn1cc(CC[N@@H+]2CC[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)C[C@@H]32)cn1 ZINC001084996726 1075696677 /nfs/dbraw/zinc/69/66/77/1075696677.db2.gz XROXLAYITWGXOU-NXNFSMPISA-N 1 0 402.539 1.420 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000494443116 1075699710 /nfs/dbraw/zinc/69/97/10/1075699710.db2.gz AQMSZIVSKUIRBE-WBVHZDCISA-N 1 0 415.567 1.863 20 0 HDADRO CN(C)C(=O)Cn1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000466077133 1075702323 /nfs/dbraw/zinc/70/23/23/1075702323.db2.gz KZPONHDRWJLBHI-KBXCAEBGSA-N 1 0 404.540 2.237 20 0 HDADRO COc1cccc(-c2noc(SCC(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)n2)c1 ZINC000543586468 1075706752 /nfs/dbraw/zinc/70/67/52/1075706752.db2.gz CRXSNXUTKWRYPK-HNNXBMFYSA-N 1 0 419.551 1.837 20 0 HDADRO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000548933129 1075709350 /nfs/dbraw/zinc/70/93/50/1075709350.db2.gz OQVVMRODLHXJFN-SJORKVTESA-N 1 0 410.522 1.681 20 0 HDADRO Cn1ccnc1-c1cccc(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000567062324 1075710884 /nfs/dbraw/zinc/71/08/84/1075710884.db2.gz AVUVZDPYHWKMQQ-UHFFFAOYSA-N 1 0 407.478 2.128 20 0 HDADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000438274603 1075714032 /nfs/dbraw/zinc/71/40/32/1075714032.db2.gz SYDDEQZTMRIEKS-SFHVURJKSA-N 1 0 413.526 1.585 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)C[N@@H+]1C1CC1 ZINC000491592587 1075714477 /nfs/dbraw/zinc/71/44/77/1075714477.db2.gz XALSWZJEMDUUMF-VXGBXAGGSA-N 1 0 422.411 1.966 20 0 HDADRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)C[C@@H](C)C1 ZINC000560151788 1075716608 /nfs/dbraw/zinc/71/66/08/1075716608.db2.gz NJRYWXAHIUGJBW-SCTDSRPQSA-N 1 0 410.522 1.648 20 0 HDADRO COC(=O)c1cc(S(=O)(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C)o1 ZINC000543685747 1075717677 /nfs/dbraw/zinc/71/76/77/1075717677.db2.gz NKKTXFPDGUNSCK-UHFFFAOYSA-N 1 0 413.540 1.413 20 0 HDADRO C[NH+](C)C1(CNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)Cc2ccccc2C1 ZINC000429398246 1075717833 /nfs/dbraw/zinc/71/78/33/1075717833.db2.gz UZRXAIQPBGPEBJ-UHFFFAOYSA-N 1 0 422.489 1.598 20 0 HDADRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000645299396 1075718522 /nfs/dbraw/zinc/71/85/22/1075718522.db2.gz NLQWALHCMRAOND-UHFFFAOYSA-N 1 0 420.311 2.126 20 0 HDADRO Cn1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)n1 ZINC000606049895 1075721937 /nfs/dbraw/zinc/72/19/37/1075721937.db2.gz BJKZNVMCPSOGPG-UHFFFAOYSA-N 1 0 408.300 1.712 20 0 HDADRO CN(C)C(=O)Cn1cnc(NC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)n1 ZINC000475865667 1075722924 /nfs/dbraw/zinc/72/29/24/1075722924.db2.gz RCHILOHSGUMTKU-UHFFFAOYSA-N 1 0 407.906 1.615 20 0 HDADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Nc2cc(-c3ccccc3F)on2)cn1 ZINC000434063987 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CC[N@H+](CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(C)C ZINC000733171788 1076000854 /nfs/dbraw/zinc/00/08/54/1076000854.db2.gz ZARVXKBWSTWAKV-UHFFFAOYSA-N 1 0 401.504 1.307 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@H]3C)C2)no1 ZINC000514018780 1076015749 /nfs/dbraw/zinc/01/57/49/1076015749.db2.gz XBKYVERKZOOUGC-OIISXLGYSA-N 1 0 406.531 1.493 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C2)no1 ZINC000514020479 1076016335 /nfs/dbraw/zinc/01/63/35/1076016335.db2.gz OTLAGIGYIMZPFR-SJORKVTESA-N 1 0 408.547 1.741 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C2)no1 ZINC000514029322 1076016998 /nfs/dbraw/zinc/01/69/98/1076016998.db2.gz PSENBGDSZARGRN-ZBFHGGJFSA-N 1 0 408.547 1.741 20 0 HDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000733274324 1076027310 /nfs/dbraw/zinc/02/73/10/1076027310.db2.gz XVUBOYHOEYZXKI-HTAPYJJXSA-N 1 0 416.522 1.843 20 0 HDADRO O=C(C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000733275301 1076027661 /nfs/dbraw/zinc/02/76/61/1076027661.db2.gz JBCOGXVSXNRPSB-UHFFFAOYSA-N 1 0 416.547 1.544 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1 ZINC000727038357 1076031856 /nfs/dbraw/zinc/03/18/56/1076031856.db2.gz ALVINFXJFLXDKP-UHFFFAOYSA-N 1 0 404.467 1.199 20 0 HDADRO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000727040306 1076032106 /nfs/dbraw/zinc/03/21/06/1076032106.db2.gz TVOACJIOBSBQCA-UHFFFAOYSA-N 1 0 418.538 1.724 20 0 HDADRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000733301897 1076033665 /nfs/dbraw/zinc/03/36/65/1076033665.db2.gz XNORPYKLQFBWMO-LBPRGKRZSA-N 1 0 414.325 1.735 20 0 HDADRO C[C@H](ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O)C(=O)Nc1ccc(F)c(F)c1 ZINC000733307772 1076034609 /nfs/dbraw/zinc/03/46/09/1076034609.db2.gz USMIGMHQHJULBX-JTQLQIEISA-N 1 0 407.421 1.788 20 0 HDADRO CC[C@H](CO)[NH2+]CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000727058642 1076035227 /nfs/dbraw/zinc/03/52/27/1076035227.db2.gz QWSQTRCJHUAETR-CQSZACIVSA-N 1 0 416.444 1.149 20 0 HDADRO CCOC(=O)N1CCN(C(=O)C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000733309690 1076035267 /nfs/dbraw/zinc/03/52/67/1076035267.db2.gz LBRHPNXFDJWCFE-UHFFFAOYSA-N 1 0 416.522 1.524 20 0 HDADRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)CO)cc1S(=O)(=O)N1CCCCC1 ZINC000727059123 1076035531 /nfs/dbraw/zinc/03/55/31/1076035531.db2.gz VFYZQWKCTDUHMD-OAHLLOKOSA-N 1 0 413.540 1.559 20 0 HDADRO COc1cc(OC)cc(C(=O)N2CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000727072469 1076037693 /nfs/dbraw/zinc/03/76/93/1076037693.db2.gz VDZXFZFPASMRRZ-UHFFFAOYSA-N 1 0 422.595 1.924 20 0 HDADRO FC(F)(F)Cn1c(=S)n(CN2CC[NH+](C3CCC3)CC2)nc1N1CCOCC1 ZINC000733297675 1076042302 /nfs/dbraw/zinc/04/23/02/1076042302.db2.gz NUSSYEDLRUWSJD-UHFFFAOYSA-N 1 0 420.505 1.941 20 0 HDADRO O=C(Nc1nc(CN2CCOCC2)cs1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733333100 1076045215 /nfs/dbraw/zinc/04/52/15/1076045215.db2.gz HXADVNBDACLZDR-KRWDZBQOSA-N 1 0 409.556 1.740 20 0 HDADRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000733353009 1076050120 /nfs/dbraw/zinc/05/01/20/1076050120.db2.gz IWCOQPNHIPYNPB-HNNXBMFYSA-N 1 0 410.531 1.815 20 0 HDADRO CO[C@H](CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C(F)(F)F ZINC000733357219 1076051162 /nfs/dbraw/zinc/05/11/62/1076051162.db2.gz QYLICFGWZZISMB-HZPDHXFCSA-N 1 0 416.444 1.760 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](O)COc2cccc(F)c2)CC1=O ZINC000733358860 1076051639 /nfs/dbraw/zinc/05/16/39/1076051639.db2.gz NWPNWFPKNJYPOK-KBAYOESNSA-N 1 0 407.486 1.014 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)/C(=C/c2cccc(OC)c2)n2nnnc2C)CC1 ZINC000727105979 1076052410 /nfs/dbraw/zinc/05/24/10/1076052410.db2.gz UOUARLZNMXGBCY-HKWRFOASSA-N 1 0 414.510 1.605 20 0 HDADRO Cn1cnc2c1c(=O)n(CCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c(=O)n2C ZINC000053135158 1076054609 /nfs/dbraw/zinc/05/46/09/1076054609.db2.gz YIKNIPBGOODVFZ-HNNXBMFYSA-N 1 0 417.535 1.567 20 0 HDADRO CC[NH+]1CCC(CNC(=O)C(=O)N2CCC3(CC2)OCCc2ccsc23)CC1 ZINC000517020844 1076055387 /nfs/dbraw/zinc/05/53/87/1076055387.db2.gz YOILAIVDVZFJQV-UHFFFAOYSA-N 1 0 405.564 1.987 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)C(=O)Nc3ccnn3-c3ccccc3)CC2)CC1 ZINC000518507339 1076059899 /nfs/dbraw/zinc/05/98/99/1076059899.db2.gz ATIYWTJQXSLSBU-UHFFFAOYSA-N 1 0 424.549 1.687 20 0 HDADRO COC(=O)c1nn(CN2CC[NH+](CCc3ccccc3)CC2)c(=O)c2noc(C)c21 ZINC000727165546 1076066534 /nfs/dbraw/zinc/06/65/34/1076066534.db2.gz JKHPEBKUZFNNAI-UHFFFAOYSA-N 1 0 411.462 1.297 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000727175802 1076069894 /nfs/dbraw/zinc/06/98/94/1076069894.db2.gz ZYYLQOOZUGJWRZ-AWEZNQCLSA-N 1 0 416.975 1.982 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl ZINC000727175209 1076070186 /nfs/dbraw/zinc/07/01/86/1076070186.db2.gz PLIBCFGTJUYZJY-CYBMUJFWSA-N 1 0 405.948 1.725 20 0 HDADRO CCN1C[C@@H](C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1=O ZINC000733435594 1076075126 /nfs/dbraw/zinc/07/51/26/1076075126.db2.gz AWXMBXWSGNNXDO-INIZCTEOSA-N 1 0 405.520 1.586 20 0 HDADRO CC(C)C[NH+]1CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 ZINC000727239202 1076087919 /nfs/dbraw/zinc/08/79/19/1076087919.db2.gz KTAKTISDFJQDMR-UHFFFAOYSA-N 1 0 421.567 1.369 20 0 HDADRO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000727323693 1076093168 /nfs/dbraw/zinc/09/31/68/1076093168.db2.gz WLRJAUKSHWUDRA-RHSMWYFYSA-N 1 0 403.479 1.750 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)COc2ccc(C=O)cc2)CC1 ZINC000727374647 1076100530 /nfs/dbraw/zinc/10/05/30/1076100530.db2.gz YLUXRKANKASXCT-UHFFFAOYSA-N 1 0 403.523 1.821 20 0 HDADRO CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000727381757 1076101654 /nfs/dbraw/zinc/10/16/54/1076101654.db2.gz IFSJHDHLCLKTDL-UHFFFAOYSA-N 1 0 402.495 1.638 20 0 HDADRO CCOC(=O)C1=C(CN2CC[C@H](C[NH+](C)C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000733614643 1076130328 /nfs/dbraw/zinc/13/03/28/1076130328.db2.gz SZFVUQMQRBSPCN-FOIQADDNSA-N 1 0 416.522 1.750 20 0 HDADRO CCOC(=O)C1=C(CN2CC[C@@H](C[NH+](C)C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000733614645 1076130386 /nfs/dbraw/zinc/13/03/86/1076130386.db2.gz SZFVUQMQRBSPCN-MGPUTAFESA-N 1 0 416.522 1.750 20 0 HDADRO C[C@@H]1Oc2ccc(C(=O)C3CCN(C[C@H](O)C[NH+]4CCCC4)CC3)cc2NC1=O ZINC000727463287 1076135799 /nfs/dbraw/zinc/13/57/99/1076135799.db2.gz HTDOPURFEBSKBT-MAUKXSAKSA-N 1 0 401.507 1.757 20 0 HDADRO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1cnn(CC[NH+](C)C)c1 ZINC000727470628 1076137066 /nfs/dbraw/zinc/13/70/66/1076137066.db2.gz MWMHHIIEZDDHPW-CQSZACIVSA-N 1 0 400.936 1.575 20 0 HDADRO COc1ccc([C@@H](O)CNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000727479655 1076139710 /nfs/dbraw/zinc/13/97/10/1076139710.db2.gz KZGUHVLAXBQMBA-FQEVSTJZSA-N 1 0 414.506 1.519 20 0 HDADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000733647053 1076139737 /nfs/dbraw/zinc/13/97/37/1076139737.db2.gz JCLRVPLSJUQMFV-QGZVFWFLSA-N 1 0 424.611 1.924 20 0 HDADRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)C1 ZINC000733670495 1076151436 /nfs/dbraw/zinc/15/14/36/1076151436.db2.gz PIUHPKSHMLAUEX-NSHDSACASA-N 1 0 412.284 1.569 20 0 HDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000525876369 1076164870 /nfs/dbraw/zinc/16/48/70/1076164870.db2.gz ZELMLGNEEJZKRU-UHFFFAOYSA-N 1 0 402.426 1.589 20 0 HDADRO Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCN3CC[NH+](C)CC3)cc2)nc1 ZINC000733662467 1076165626 /nfs/dbraw/zinc/16/56/26/1076165626.db2.gz GHXHRBSLBBEOIN-UHFFFAOYSA-N 1 0 411.506 1.875 20 0 HDADRO CC(=O)N[C@H](CC(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1)c1c(F)cccc1F ZINC000727570832 1076175538 /nfs/dbraw/zinc/17/55/38/1076175538.db2.gz XNZZHTOBXZSIHU-GOSISDBHSA-N 1 0 423.460 1.818 20 0 HDADRO CC(=O)NCCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727606999 1076178645 /nfs/dbraw/zinc/17/86/45/1076178645.db2.gz ARPDPXOVGCXKGB-UHFFFAOYSA-N 1 0 417.510 1.082 20 0 HDADRO COC(=O)Nc1cc(NC(=O)C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1F ZINC000727613794 1076183743 /nfs/dbraw/zinc/18/37/43/1076183743.db2.gz POPWHPOGDVGXTP-OAHLLOKOSA-N 1 0 422.457 1.656 20 0 HDADRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733775782 1076202572 /nfs/dbraw/zinc/20/25/72/1076202572.db2.gz RLZSOWOXQAZFFW-INIZCTEOSA-N 1 0 401.511 1.593 20 0 HDADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 ZINC000733778792 1076204064 /nfs/dbraw/zinc/20/40/64/1076204064.db2.gz HIUGXRRTSYGQLL-IAGOWNOFSA-N 1 0 419.547 1.944 20 0 HDADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](CCCO)CC(C)(C)C)C2=O)c1 ZINC000733794663 1076214984 /nfs/dbraw/zinc/21/49/84/1076214984.db2.gz FTDDWBUFNVBIOW-NRFANRHFSA-N 1 0 420.510 1.224 20 0 HDADRO C[NH+]1CCN(C[C@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)c2ccccc2)CC1 ZINC000727740767 1076216374 /nfs/dbraw/zinc/21/63/74/1076216374.db2.gz UEBHGIBCAHZDQA-ROUUACIJSA-N 1 0 411.593 1.012 20 0 HDADRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000727762580 1076217736 /nfs/dbraw/zinc/21/77/36/1076217736.db2.gz MHUWCZNOHADGAT-AWEZNQCLSA-N 1 0 417.959 1.915 20 0 HDADRO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000727765815 1076219723 /nfs/dbraw/zinc/21/97/23/1076219723.db2.gz IPPXFSWKBWDDFS-ZWOKBUDYSA-N 1 0 416.522 1.800 20 0 HDADRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727766712 1076220675 /nfs/dbraw/zinc/22/06/75/1076220675.db2.gz DWLFYKLBJLQMCY-APWZRJJASA-N 1 0 400.504 1.497 20 0 HDADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)C1 ZINC000733854006 1076230305 /nfs/dbraw/zinc/23/03/05/1076230305.db2.gz ONKOSZPURWNFIJ-IRXDYDNUSA-N 1 0 411.510 1.714 20 0 HDADRO CNS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000022683462 1076232089 /nfs/dbraw/zinc/23/20/89/1076232089.db2.gz MROVCICSUGQLDL-FQEVSTJZSA-N 1 0 419.547 1.955 20 0 HDADRO CCc1ccc(N2C[C@@H](C(=O)NCC3CC[NH+](CCN(C)C)CC3)CC2=O)cc1 ZINC000733882141 1076238577 /nfs/dbraw/zinc/23/85/77/1076238577.db2.gz BCSSBHGICREKAG-FQEVSTJZSA-N 1 0 400.567 1.992 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)C2)no1 ZINC000532835156 1076240029 /nfs/dbraw/zinc/24/00/29/1076240029.db2.gz JQKYEPCVYWAHEP-ZWKOTPCHSA-N 1 0 420.558 1.885 20 0 HDADRO CC(C)Cn1nccc1NC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000533456627 1076243417 /nfs/dbraw/zinc/24/34/17/1076243417.db2.gz OGXDVNJUCFULCU-IRXDYDNUSA-N 1 0 405.543 1.825 20 0 HDADRO COC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC001299318305 1076247351 /nfs/dbraw/zinc/24/73/51/1076247351.db2.gz JMQCMKZDELRILC-QGZVFWFLSA-N 1 0 411.568 1.866 20 0 HDADRO CN1Cc2ccccc2[C@@H](NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000534530750 1076247862 /nfs/dbraw/zinc/24/78/62/1076247862.db2.gz JGBRNFSPVHJKBF-NRFANRHFSA-N 1 0 409.534 1.964 20 0 HDADRO Cc1cccc(C)c1OCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCO1 ZINC001273291623 1076248967 /nfs/dbraw/zinc/24/89/67/1076248967.db2.gz DKAQEACIMDPLIR-YENHRIDLSA-N 1 0 400.519 1.923 20 0 HDADRO Cc1ccc(C)c(OCC[NH2+]C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CCO2)c1 ZINC001273292287 1076249594 /nfs/dbraw/zinc/24/95/94/1076249594.db2.gz QKXVXGPWLAZEIZ-BHNQRHOYSA-N 1 0 400.519 1.923 20 0 HDADRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000144162010 1076253818 /nfs/dbraw/zinc/25/38/18/1076253818.db2.gz GZITXFOZYFVQLD-QZTJIDSGSA-N 1 0 418.538 1.325 20 0 HDADRO O=C(C[NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)NC(=O)NCc1cccs1 ZINC000733898334 1076258999 /nfs/dbraw/zinc/25/89/99/1076258999.db2.gz QOPSUSIMYGOVNH-NRFANRHFSA-N 1 0 416.547 1.691 20 0 HDADRO O=C(OCc1ccccc1)N1CC(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000733900610 1076260339 /nfs/dbraw/zinc/26/03/39/1076260339.db2.gz WZHGYTWINGYXAM-GOSISDBHSA-N 1 0 407.536 1.897 20 0 HDADRO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[N@@H+](C(C)C)CC2)C1=O ZINC000727832225 1076264238 /nfs/dbraw/zinc/26/42/38/1076264238.db2.gz POMHIRIXHJLDLC-OAQYLSRUSA-N 1 0 401.511 1.291 20 0 HDADRO COCCN(CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)C(=O)OC(C)(C)C ZINC000733951557 1076273283 /nfs/dbraw/zinc/27/32/83/1076273283.db2.gz IYOGWAYBVGITGA-UHFFFAOYSA-N 1 0 407.515 1.655 20 0 HDADRO C[NH+]1CCN(C[C@H](NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)c2ccccc2)CC1 ZINC000727860206 1076274607 /nfs/dbraw/zinc/27/46/07/1076274607.db2.gz XOWKSSRAVHHEJA-IXDOHACOSA-N 1 0 412.456 1.548 20 0 HDADRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)CC(C)(C)O ZINC000734002604 1076288589 /nfs/dbraw/zinc/28/85/89/1076288589.db2.gz RBWPZILYOZDGHH-GDNBJRDFSA-N 1 0 409.552 1.224 20 0 HDADRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)cc(OC)c1OCC(N)=O ZINC000734003958 1076289019 /nfs/dbraw/zinc/28/90/19/1076289019.db2.gz CWSHBIXCSLJZFX-HXUWFJFHSA-N 1 0 410.417 1.843 20 0 HDADRO C[NH+]1CCN(C[C@H](NC(=O)NCC(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000727941070 1076292044 /nfs/dbraw/zinc/29/20/44/1076292044.db2.gz RLRQARUOJTZCDW-NRFANRHFSA-N 1 0 409.534 1.591 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@](C)(O)c2ccc(F)cc2F)CC1=O ZINC000734022499 1076292154 /nfs/dbraw/zinc/29/21/54/1076292154.db2.gz JSKBSHXHEUZPKW-NVAPDCRFSA-N 1 0 409.477 1.621 20 0 HDADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000727952434 1076296021 /nfs/dbraw/zinc/29/60/21/1076296021.db2.gz MGDIIRVHTQJUMI-UHFFFAOYSA-N 1 0 403.451 1.564 20 0 HDADRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 ZINC000727951986 1076296546 /nfs/dbraw/zinc/29/65/46/1076296546.db2.gz KWNBJGCSPMBZQW-UHFFFAOYSA-N 1 0 421.929 1.157 20 0 HDADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)NCCOc2cccnc2)CC1 ZINC000734067015 1076300645 /nfs/dbraw/zinc/30/06/45/1076300645.db2.gz CWXFHDRAGWEGQK-UHFFFAOYSA-N 1 0 403.527 1.484 20 0 HDADRO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000728019681 1076305662 /nfs/dbraw/zinc/30/56/62/1076305662.db2.gz GMVRIEHVQCSVRY-UUGSPAKMSA-N 1 0 417.579 1.707 20 0 HDADRO Cc1ccc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@H]45)[C@H]3C2)cc1 ZINC001083151476 1076316935 /nfs/dbraw/zinc/31/69/35/1076316935.db2.gz AVLKFHDSTUZNBH-RTOMLYRKSA-N 1 0 400.519 1.501 20 0 HDADRO C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[N@@H+]3CCC[C@@H](C4OCCO4)C3)CC2)C1 ZINC000728053701 1076320396 /nfs/dbraw/zinc/32/03/96/1076320396.db2.gz PZUXLUNCFQEZOG-PKOBYXMFSA-N 1 0 407.555 1.568 20 0 HDADRO CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000728056934 1076323551 /nfs/dbraw/zinc/32/35/51/1076323551.db2.gz VILSJCJTRIJYAL-OAHLLOKOSA-N 1 0 416.569 1.494 20 0 HDADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000728073731 1076333531 /nfs/dbraw/zinc/33/35/31/1076333531.db2.gz XSWKVLCMRUKJQF-SPMFNHFHSA-N 1 0 410.584 1.303 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc(Br)cnc2Cl)C1 ZINC000728078231 1076334762 /nfs/dbraw/zinc/33/47/62/1076334762.db2.gz VMWKPRSXVYRTGC-SNVBAGLBSA-N 1 0 403.708 1.815 20 0 HDADRO CCOc1ccc(N2C[C@H](C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2=O)cc1 ZINC000728078110 1076334969 /nfs/dbraw/zinc/33/49/69/1076334969.db2.gz STKMZFALZWLBDV-DLBZAZTESA-N 1 0 416.522 1.142 20 0 HDADRO O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000728140078 1076341662 /nfs/dbraw/zinc/34/16/62/1076341662.db2.gz PAFRAMJPFNGTQE-UHFFFAOYSA-N 1 0 404.486 1.688 20 0 HDADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 ZINC000728151990 1076348030 /nfs/dbraw/zinc/34/80/30/1076348030.db2.gz KYGHWSOOBSPDST-SIXWZSSISA-N 1 0 400.504 1.668 20 0 HDADRO COc1cc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc(OC)c1OCC(N)=O ZINC000028311776 1076360950 /nfs/dbraw/zinc/36/09/50/1076360950.db2.gz YIMNFVBOVIORGM-AWEZNQCLSA-N 1 0 411.462 1.999 20 0 HDADRO CC(=O)Nc1ccc(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1C ZINC000729882818 1076375578 /nfs/dbraw/zinc/37/55/78/1076375578.db2.gz QMAWVOUGJHTEGQ-UHFFFAOYSA-N 1 0 402.495 1.653 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC000729945323 1076396729 /nfs/dbraw/zinc/39/67/29/1076396729.db2.gz HHIUMLLVDJHZRE-UHFFFAOYSA-N 1 0 415.445 1.718 20 0 HDADRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)C1 ZINC000729983344 1076406878 /nfs/dbraw/zinc/40/68/78/1076406878.db2.gz OQFLBGHJWDVRDA-AWEZNQCLSA-N 1 0 419.931 1.363 20 0 HDADRO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCOC)C2)C1 ZINC000730036390 1076414061 /nfs/dbraw/zinc/41/40/61/1076414061.db2.gz ROFLBKGELURHEY-VQIMIIECSA-N 1 0 402.495 1.411 20 0 HDADRO CNC(=O)C1(C(=O)OCC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CCC1 ZINC000730046681 1076420643 /nfs/dbraw/zinc/42/06/43/1076420643.db2.gz XEOIXYZPSXMJKR-UHFFFAOYSA-N 1 0 401.507 1.489 20 0 HDADRO O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000730085444 1076433074 /nfs/dbraw/zinc/43/30/74/1076433074.db2.gz LRYDNKGDWGVWHL-YTQUADARSA-N 1 0 405.926 1.746 20 0 HDADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000730087165 1076441905 /nfs/dbraw/zinc/44/19/05/1076441905.db2.gz WHZCALXOUWETCG-HOTGVXAUSA-N 1 0 421.954 1.945 20 0 HDADRO NC(C[NH+]1CCCCCC1)=NOCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000730100611 1076453793 /nfs/dbraw/zinc/45/37/93/1076453793.db2.gz SJMGGOHRNYSDHL-QGZVFWFLSA-N 1 0 414.572 1.319 20 0 HDADRO C[NH+](C)CCN1CCC(NC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000730116406 1076462768 /nfs/dbraw/zinc/46/27/68/1076462768.db2.gz YEDGMODFFPMPNQ-KRWDZBQOSA-N 1 0 411.591 1.959 20 0 HDADRO O=C(Nc1ccccc1)NC1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000730125438 1076465441 /nfs/dbraw/zinc/46/54/41/1076465441.db2.gz HUFJXEYXFUSHGL-OALUTQOASA-N 1 0 401.511 1.845 20 0 HDADRO CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000730219209 1076480536 /nfs/dbraw/zinc/48/05/36/1076480536.db2.gz WKPHYIYBTPSJHC-HUUCEWRRSA-N 1 0 412.556 1.237 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000730227299 1076485165 /nfs/dbraw/zinc/48/51/65/1076485165.db2.gz AQAWYECSJVCHPS-CQSZACIVSA-N 1 0 417.579 1.960 20 0 HDADRO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+]([C@@H](C)C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000730266567 1076507873 /nfs/dbraw/zinc/50/78/73/1076507873.db2.gz YJHFUKDBVPLEBX-GJZGRUSLSA-N 1 0 410.559 1.724 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)/C=C\c1ccccc1Br ZINC000730269021 1076508799 /nfs/dbraw/zinc/50/87/99/1076508799.db2.gz LNYLLOYOVALBGE-YRBHFNIASA-N 1 0 402.358 1.975 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@H]3CSCN3C(C)=O)cc2)CC1 ZINC000730305807 1076521340 /nfs/dbraw/zinc/52/13/40/1076521340.db2.gz QJOQIDCNNWADPU-GOSISDBHSA-N 1 0 420.535 1.232 20 0 HDADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000730292908 1076530682 /nfs/dbraw/zinc/53/06/82/1076530682.db2.gz IJWAJAUZEKAQIT-MISIWFIQSA-N 1 0 410.584 1.161 20 0 HDADRO CCC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000730317828 1076535272 /nfs/dbraw/zinc/53/52/72/1076535272.db2.gz PREJJTYWWACCPC-BPQIPLTHSA-N 1 0 419.547 1.620 20 0 HDADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)N1CC[NH+](C)CC1 ZINC000730385054 1076565855 /nfs/dbraw/zinc/56/58/55/1076565855.db2.gz MROMSYPWOWGUHU-GOSISDBHSA-N 1 0 416.501 1.338 20 0 HDADRO CC(C)[N@@H+](CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@@H](C)O ZINC000730419149 1076574615 /nfs/dbraw/zinc/57/46/15/1076574615.db2.gz GFOOKIHSXLYURN-MOVXZBDNSA-N 1 0 409.552 1.223 20 0 HDADRO CC(C)[N@@H+](CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@H](C)O ZINC000730419152 1076575154 /nfs/dbraw/zinc/57/51/54/1076575154.db2.gz GFOOKIHSXLYURN-WAFIBAPDSA-N 1 0 409.552 1.223 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000730559945 1076594992 /nfs/dbraw/zinc/59/49/92/1076594992.db2.gz OJTWOTVMFUITAV-OJLWIZQOSA-N 1 0 420.579 1.700 20 0 HDADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)n(C)c1 ZINC000730548100 1076598500 /nfs/dbraw/zinc/59/85/00/1076598500.db2.gz UDWZATWJEANIMW-UHFFFAOYSA-N 1 0 421.567 1.655 20 0 HDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000730547935 1076598567 /nfs/dbraw/zinc/59/85/67/1076598567.db2.gz NNHUWBKTVNGYRY-HSZRJFAPSA-N 1 0 421.501 1.365 20 0 HDADRO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(CC[NH+](C)C)Cc3ccccn3)C2=O)cc1 ZINC000730548057 1076598658 /nfs/dbraw/zinc/59/86/58/1076598658.db2.gz RDXKNEMTENORDS-QHCPKHFHSA-N 1 0 423.517 1.747 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2F)cc1 ZINC000730679627 1076636816 /nfs/dbraw/zinc/63/68/16/1076636816.db2.gz ANHPUISENQUAPI-LJQANCHMSA-N 1 0 403.454 1.945 20 0 HDADRO NC(=O)[C@@H]1CC(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)=NN1c1ccc(F)cc1 ZINC000730764471 1076647545 /nfs/dbraw/zinc/64/75/45/1076647545.db2.gz XPVQTORFLCPBCT-MJGOQNOKSA-N 1 0 401.486 1.723 20 0 HDADRO O=C(c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730796621 1076652593 /nfs/dbraw/zinc/65/25/93/1076652593.db2.gz MJKWTWBPBWAAIF-MRXNPFEDSA-N 1 0 403.504 1.694 20 0 HDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)c(OC)cc2NC(=O)c2ccco2)C1 ZINC000730785636 1076656891 /nfs/dbraw/zinc/65/68/91/1076656891.db2.gz CSOLKAOMJLWFCC-AWEZNQCLSA-N 1 0 417.462 2.000 20 0 HDADRO CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000730825195 1076662666 /nfs/dbraw/zinc/66/26/66/1076662666.db2.gz MMIJJXAEHRUCQH-CVEARBPZSA-N 1 0 411.547 1.273 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000730825973 1076663392 /nfs/dbraw/zinc/66/33/92/1076663392.db2.gz SYOAKRHAPLHGOW-ZBFHGGJFSA-N 1 0 416.444 1.625 20 0 HDADRO CCOCC[N@H+](CC)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000730808345 1076665214 /nfs/dbraw/zinc/66/52/14/1076665214.db2.gz JCCBUVRNCJEPGY-LICLKQGHSA-N 1 0 409.552 1.490 20 0 HDADRO NS(=O)(=O)c1ccc(CC[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000730938321 1076698009 /nfs/dbraw/zinc/69/80/09/1076698009.db2.gz XYKLIHBISXNPNS-UHFFFAOYSA-N 1 0 405.495 1.864 20 0 HDADRO Cc1ccc(NC(=O)C2CC[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC2)nc1 ZINC000730938357 1076698131 /nfs/dbraw/zinc/69/81/31/1076698131.db2.gz YNBYBEQBHFCVMC-UHFFFAOYSA-N 1 0 402.520 1.931 20 0 HDADRO COC(=O)c1ccc(N2CC[N@H+](CCc3ccc(S(N)(=O)=O)cc3)[C@H](C)C2)cc1 ZINC000730940175 1076699001 /nfs/dbraw/zinc/69/90/01/1076699001.db2.gz ZYVNVJYPFAXVJA-MRXNPFEDSA-N 1 0 417.531 1.874 20 0 HDADRO COC(=O)N[C@H](C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)C ZINC000730974637 1076702541 /nfs/dbraw/zinc/70/25/41/1076702541.db2.gz OBWBEVKDUGXVFB-ROUUACIJSA-N 1 0 404.511 1.381 20 0 HDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1 ZINC000731007014 1076709244 /nfs/dbraw/zinc/70/92/44/1076709244.db2.gz DXXDYDINOCKILO-OAHLLOKOSA-N 1 0 401.504 1.353 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3ccc(-n4ccnc4)nc3)c2)C1 ZINC000731008617 1076709576 /nfs/dbraw/zinc/70/95/76/1076709576.db2.gz KRYASNDCTUOOHB-FQEVSTJZSA-N 1 0 418.501 1.895 20 0 HDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000731008127 1076710024 /nfs/dbraw/zinc/71/00/24/1076710024.db2.gz YVZFBMXACMMWFO-HNNXBMFYSA-N 1 0 415.531 1.743 20 0 HDADRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 ZINC000731024869 1076712907 /nfs/dbraw/zinc/71/29/07/1076712907.db2.gz JNDAHKFKIHRWAD-GOEBONIOSA-N 1 0 421.519 1.082 20 0 HDADRO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]([NH2+]C(C)C)C2)C1=O ZINC000731033447 1076714728 /nfs/dbraw/zinc/71/47/28/1076714728.db2.gz UZKMBBRCDQZVNF-UWJYYQICSA-N 1 0 401.511 1.337 20 0 HDADRO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@@H]([NH2+]C(C)C)C2)C1=O ZINC000731033444 1076714755 /nfs/dbraw/zinc/71/47/55/1076714755.db2.gz UZKMBBRCDQZVNF-DYESRHJHSA-N 1 0 401.511 1.337 20 0 HDADRO Cc1nc(COc2ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCCCC3)cc2)no1 ZINC000731125254 1076734050 /nfs/dbraw/zinc/73/40/50/1076734050.db2.gz DWVZWSNCKCONOV-CQSZACIVSA-N 1 0 401.467 1.886 20 0 HDADRO COCCOC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000731134352 1076737140 /nfs/dbraw/zinc/73/71/40/1076737140.db2.gz IOSQJASKEAUDGM-KRWDZBQOSA-N 1 0 404.467 1.421 20 0 HDADRO NC(=O)CCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000731190218 1076743973 /nfs/dbraw/zinc/74/39/73/1076743973.db2.gz GSDGNTRQVRWQGC-KRWDZBQOSA-N 1 0 409.490 1.538 20 0 HDADRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000731224305 1076767719 /nfs/dbraw/zinc/76/77/19/1076767719.db2.gz PPJVRSMIZUOKEQ-LBPRGKRZSA-N 1 0 406.533 1.512 20 0 HDADRO C[C@@H](NC(=O)COC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)C(=O)N(C)C ZINC000731256979 1076771541 /nfs/dbraw/zinc/77/15/41/1076771541.db2.gz PGNITWITZFZIIK-IAGOWNOFSA-N 1 0 419.522 1.690 20 0 HDADRO CCOC(=O)Cn1cc(C[NH2+][C@@H](CO)Cc2ccccc2C)c(-c2cnn(C)c2)n1 ZINC001474449745 1126204710 /nfs/dbraw/zinc/20/47/10/1126204710.db2.gz ZZRWCLVIAKDRJZ-HXUWFJFHSA-N 1 0 411.506 1.848 20 0 HDADRO O=C(c1cccnc1N1CCN2CC[NH2+]C[C@H]2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164399197 718836591 /nfs/dbraw/zinc/83/65/91/718836591.db2.gz QOVHONZJWZEFGX-NRFANRHFSA-N 1 0 420.561 1.133 20 0 HDADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCN3CC[NH2+]C[C@@H]3C2)n1 ZINC001164403518 718837054 /nfs/dbraw/zinc/83/70/54/718837054.db2.gz KRHWPXVPNGPPFA-IQIBNGDESA-N 1 0 401.511 1.346 20 0 HDADRO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CCOCC23C[NH2+]C3)C1=O ZINC001164400920 718860392 /nfs/dbraw/zinc/86/03/92/718860392.db2.gz AZQILDYOXAHGBY-IBGZPJMESA-N 1 0 424.908 1.195 20 0 HDADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)cnc1Cl ZINC001164408824 718866317 /nfs/dbraw/zinc/86/63/17/718866317.db2.gz NJPGCOXTDNDMJC-YPMHNXCESA-N 1 0 409.886 1.888 20 0 HDADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164422839 718914565 /nfs/dbraw/zinc/91/45/65/718914565.db2.gz BPQVQFPCYWOAGX-INIZCTEOSA-N 1 0 405.829 1.652 20 0 HDADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN([C@H](F)Oc1cncc(Cl)n1)C2 ZINC001164434792 718970935 /nfs/dbraw/zinc/97/09/35/718970935.db2.gz VQKLDGKSNLOOEV-MJBXVCDLSA-N 1 0 412.771 1.779 20 0 HDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc(C(=O)OC)nc1Cl ZINC001164618889 719014182 /nfs/dbraw/zinc/01/41/82/719014182.db2.gz UMKSUQGSONICLG-TVYUQYBPSA-N 1 0 403.813 1.796 20 0 HDADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4c(n3)N(C)[C@@H](C)C(=O)N4)CC2)CC1 ZINC001164617959 719027460 /nfs/dbraw/zinc/02/74/60/719027460.db2.gz SJKWULHZXWMNBQ-AWEZNQCLSA-N 1 0 416.526 1.497 20 0 HDADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c3C(C)(C)C(=O)N4)CC2)CC1 ZINC001164618380 719030981 /nfs/dbraw/zinc/03/09/81/719030981.db2.gz VDALMAJZWLLXEW-UHFFFAOYSA-N 1 0 401.511 1.950 20 0 HDADRO Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(c2cc(C[NH+](C)C)ccn2)C3)nn1 ZINC001164635178 719266136 /nfs/dbraw/zinc/26/61/36/719266136.db2.gz HVRNXTGRVKTWCA-UGKGYDQZSA-N 1 0 412.538 1.966 20 0 HDADRO C[NH+]1CCN(c2cccc(N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)CC4CC4)C3)n2)CC1 ZINC001164654800 719325327 /nfs/dbraw/zinc/32/53/27/719325327.db2.gz MYWSFLFSNPQKPK-SFYKDHMMSA-N 1 0 413.566 1.734 20 0 HDADRO CCOC[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)Cc2nn(CC3CC3)cc21 ZINC001164664029 719362665 /nfs/dbraw/zinc/36/26/65/719362665.db2.gz NZRFOQHKEKVFSL-GOSISDBHSA-N 1 0 411.554 1.975 20 0 HDADRO CCOC(=O)c1nc2ccn(C)c2c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679647 719633926 /nfs/dbraw/zinc/63/39/26/719633926.db2.gz KAPJGLGSPRVAGR-UHFFFAOYSA-N 1 0 411.510 1.817 20 0 HDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(C(=O)NC3CCCC3)nn1)CC2 ZINC001164689847 719748157 /nfs/dbraw/zinc/74/81/57/719748157.db2.gz LUKLYKNNXUQQKA-UHFFFAOYSA-N 1 0 400.527 1.330 20 0 HDADRO CN1CC(=O)Nc2cnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc21 ZINC001164696639 719894451 /nfs/dbraw/zinc/89/44/51/719894451.db2.gz GLMMYTOQKVDRAS-UHFFFAOYSA-N 1 0 414.535 1.798 20 0 HDADRO Cc1cc(N2CCCC2)nc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)[nH+]1 ZINC001164705506 719926285 /nfs/dbraw/zinc/92/62/85/719926285.db2.gz ZOPKAJFQBSIYKT-UHFFFAOYSA-N 1 0 424.553 1.069 20 0 HDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)nc(S(C)(=O)=O)n1)C2 ZINC001164809967 720118778 /nfs/dbraw/zinc/11/87/78/720118778.db2.gz IZVCUJYXYIROSD-DNVCBOLYSA-N 1 0 410.540 1.073 20 0 HDADRO Cn1nnc2c1CCN(c1nc(Cl)nc3cc[nH]c31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164711943 720164161 /nfs/dbraw/zinc/16/41/61/720164161.db2.gz DYBIYDVPHUOIRE-OAHLLOKOSA-N 1 0 416.917 1.956 20 0 HDADRO Cn1nnc2c1CCN(c1c[nH]c3ncnc(Cl)c13)[C@H]2COCC[NH+]1CCCC1 ZINC001164716090 720171102 /nfs/dbraw/zinc/17/11/02/720171102.db2.gz XPGJDPFGIQKWRO-HNNXBMFYSA-N 1 0 416.917 1.908 20 0 HDADRO Cn1nnc2c1CCN(c1c[nH]c3ncnc(Cl)c13)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716093 720171288 /nfs/dbraw/zinc/17/12/88/720171288.db2.gz XPGJDPFGIQKWRO-OAHLLOKOSA-N 1 0 416.917 1.908 20 0 HDADRO Cn1nnc2c1CCN(c1ccc3ccc(=O)n(C)c3n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717713 720183674 /nfs/dbraw/zinc/18/36/74/720183674.db2.gz LUEZNMVTMKFVLV-SFHVURJKSA-N 1 0 423.521 1.278 20 0 HDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1S(N)(=O)=O)C2 ZINC001164813681 720187344 /nfs/dbraw/zinc/18/73/44/720187344.db2.gz DLSUECKSGOAMGC-RDTXWAMCSA-N 1 0 414.959 1.567 20 0 HDADRO CCn1cnc2c1ncnc2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164713777 720197015 /nfs/dbraw/zinc/19/70/15/720197015.db2.gz DLDYEEDVJHSONB-INIZCTEOSA-N 1 0 411.514 1.191 20 0 HDADRO Cc1noc(-c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2)n1 ZINC001164717191 720198922 /nfs/dbraw/zinc/19/89/22/720198922.db2.gz UNLIUSPYRGGOQM-SFHVURJKSA-N 1 0 424.509 1.785 20 0 HDADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1[C@@H](C)CC(=O)N3)CCC2 ZINC001164813415 720224524 /nfs/dbraw/zinc/22/45/24/720224524.db2.gz LTNRAHXSEJDMBB-AWEZNQCLSA-N 1 0 411.510 1.730 20 0 HDADRO CCOC(=O)c1cncnc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819914 720285689 /nfs/dbraw/zinc/28/56/89/720285689.db2.gz TUKKIISMIYDAIV-QZTJIDSGSA-N 1 0 401.511 1.565 20 0 HDADRO COC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164824477 720292315 /nfs/dbraw/zinc/29/23/15/720292315.db2.gz RAOYSRVJAMJKAQ-CVEARBPZSA-N 1 0 421.929 1.828 20 0 HDADRO CCOC(=O)c1cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncn1 ZINC001164818598 720308463 /nfs/dbraw/zinc/30/84/63/720308463.db2.gz ASIAGPAEBZBETB-MSOLQXFVSA-N 1 0 401.511 1.565 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)ccc2C(N)=O)CC1 ZINC001164825417 720319650 /nfs/dbraw/zinc/31/96/50/720319650.db2.gz DUAGZJZFDLKLIA-CVEARBPZSA-N 1 0 405.930 1.745 20 0 HDADRO COC(=O)c1nc(Cl)cnc1N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829685 720320306 /nfs/dbraw/zinc/32/03/06/720320306.db2.gz NAPREEQLJIFKTO-LSDHHAIUSA-N 1 0 421.929 1.828 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccnc(-n3ccccc3=O)n2)CC1 ZINC001164831152 720343178 /nfs/dbraw/zinc/34/31/78/720343178.db2.gz XWNWCGNAFNWWSF-RTBURBONSA-N 1 0 422.533 1.539 20 0 HDADRO Cc1cnc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)c(C[NH3+])c1 ZINC001164828728 720465540 /nfs/dbraw/zinc/46/55/40/720465540.db2.gz AGXDDBOBPRWUTJ-SFHVURJKSA-N 1 0 400.527 1.035 20 0 HDADRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3ccccc3nc2N2CCOCC2)C1 ZINC001164727443 720514072 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NMVSUVFVJRLBAF-UHFFFAOYSA-N 1 0 402.543 1.214 20 0 HDADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)n1C ZINC001164926604 721876733 /nfs/dbraw/zinc/87/67/33/721876733.db2.gz SAPJJYZOETWQGQ-UONOGXRCSA-N 1 0 406.918 1.623 20 0 HDADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)nc1 ZINC001164935477 721881323 /nfs/dbraw/zinc/88/13/23/721881323.db2.gz WYQBUUKYWXDELK-QXAKKESOSA-N 1 0 409.600 1.763 20 0 HDADRO C[C@H]1C(=O)NCCN1c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165039193 721882999 /nfs/dbraw/zinc/88/29/99/721882999.db2.gz YGDWKJSLVBKQSZ-LSDHHAIUSA-N 1 0 403.527 1.205 20 0 HDADRO Cn1ccc(CN2CCOCC23CCN(c2nccc(C4CC[NH2+]CC4)n2)CC3)n1 ZINC001164936214 721906986 /nfs/dbraw/zinc/90/69/86/721906986.db2.gz MQMQOMKQWZJBSB-UHFFFAOYSA-N 1 0 411.554 1.549 20 0 HDADRO CC(C)(C)C(=O)Nc1ccnc(N2CCN(C(N)=O)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165044615 721941323 /nfs/dbraw/zinc/94/13/23/721941323.db2.gz OVGIHDJHEHFJAY-OAHLLOKOSA-N 1 0 418.542 1.081 20 0 HDADRO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]12 ZINC001164943703 721965109 /nfs/dbraw/zinc/96/51/09/721965109.db2.gz FRNKVCCQVNHZHH-ZJSXRUAMSA-N 1 0 420.561 1.997 20 0 HDADRO CC(C)(C)C(=O)Nc1ccnc(N2CCC3(C2)OCCO3)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165048567 721985334 /nfs/dbraw/zinc/98/53/34/721985334.db2.gz ZKYOTEUFMBHAIG-MRXNPFEDSA-N 1 0 418.538 1.834 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4[C@@H](Oc5ncccc5F)CC[C@@H]43)nn2)CC1 ZINC001164962710 722028024 /nfs/dbraw/zinc/02/80/24/722028024.db2.gz RJZLBHFCULFEEA-ZWOKBUDYSA-N 1 0 414.485 1.578 20 0 HDADRO Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]23)cn1 ZINC001164956468 722031738 /nfs/dbraw/zinc/03/17/38/722031738.db2.gz GULQAOHHIRXBIQ-HBMCJLEFSA-N 1 0 424.549 1.682 20 0 HDADRO NC(=O)c1cnc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959412 722054131 /nfs/dbraw/zinc/05/41/31/722054131.db2.gz IXBDFHPFWZSPKO-UHFFFAOYSA-N 1 0 416.913 1.743 20 0 HDADRO CN(C)C(=O)c1cncc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164963280 722060470 /nfs/dbraw/zinc/06/04/70/722060470.db2.gz VIWIPYOHUMXPMO-UHFFFAOYSA-N 1 0 410.522 1.692 20 0 HDADRO CC(=O)N1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164972030 722080717 /nfs/dbraw/zinc/08/07/17/722080717.db2.gz XSNGNWJKHLFFKM-QHAWAJNXSA-N 1 0 423.565 1.546 20 0 HDADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164983069 722126467 /nfs/dbraw/zinc/12/64/67/722126467.db2.gz XXGRPZCUOGYKBN-AEFFLSMTSA-N 1 0 422.489 1.867 20 0 HDADRO CC1(C)C(=O)Nc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164979676 722137301 /nfs/dbraw/zinc/13/73/01/722137301.db2.gz LSOLBWBAHKUSFN-IRXDYDNUSA-N 1 0 408.506 1.829 20 0 HDADRO O=C(NC1CC1)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164984904 722147812 /nfs/dbraw/zinc/14/78/12/722147812.db2.gz YJAKTWMCEGGFFL-PXNSSMCTSA-N 1 0 408.506 1.491 20 0 HDADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164989253 722189067 /nfs/dbraw/zinc/18/90/67/722189067.db2.gz BBODORHWEXLCGS-UHFFFAOYSA-N 1 0 409.534 1.531 20 0 HDADRO C[NH+](C)Cc1ccnc(N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)c1 ZINC001165000777 722218976 /nfs/dbraw/zinc/21/89/76/722218976.db2.gz YRFICRKISLQOAI-JOCHJYFZSA-N 1 0 408.506 1.970 20 0 HDADRO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]2C1 ZINC001165005159 722244238 /nfs/dbraw/zinc/24/42/38/722244238.db2.gz SMRFZWTVTLIZRG-PZJWPPBQSA-N 1 0 409.534 1.993 20 0 HDADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)c(F)c3c1C(=O)NC3)CCC2 ZINC001165002278 722254157 /nfs/dbraw/zinc/25/41/57/722254157.db2.gz MYCCCKQYZXYGDT-UHFFFAOYSA-N 1 0 422.892 1.803 20 0 HDADRO CNC(=O)c1cc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165004150 722257994 /nfs/dbraw/zinc/25/79/94/722257994.db2.gz NYBQLTLJDTZXCL-UHFFFAOYSA-N 1 0 407.906 1.175 20 0 HDADRO COc1nn(C)c2nc(C)c(CCC(=O)N3CCN(CC[NH+](C)C)CC3)c(C)c12 ZINC000509071715 1073456711 /nfs/dbraw/zinc/45/67/11/1073456711.db2.gz RFVZADQXLMOEHV-UHFFFAOYSA-N 1 0 402.543 1.232 20 0 HDADRO O=C(NC[C@H]1CSCCN1Cc1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429045246 1073460682 /nfs/dbraw/zinc/46/06/82/1073460682.db2.gz SMLRVVONRUBQRY-RTWAWAEBSA-N 1 0 418.607 1.968 20 0 HDADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cn(CC(=O)C(C)(C)C)nn2)cc1 ZINC000673636848 1073466104 /nfs/dbraw/zinc/46/61/04/1073466104.db2.gz DDPGLZXLYMSWTB-UHFFFAOYSA-N 1 0 400.483 1.437 20 0 HDADRO FC(F)(F)Cn1nnnc1CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000429054050 1073476107 /nfs/dbraw/zinc/47/61/07/1073476107.db2.gz HHYOJTUNWYWZCU-INIZCTEOSA-N 1 0 424.475 1.665 20 0 HDADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000429055164 1073482631 /nfs/dbraw/zinc/48/26/31/1073482631.db2.gz SGGAFCYNXLMQSG-HXUWFJFHSA-N 1 0 412.538 1.528 20 0 HDADRO Cn1cncc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001004585054 1073491150 /nfs/dbraw/zinc/49/11/50/1073491150.db2.gz WOFBFIAFCCDVJI-SJQORLFUSA-N 1 0 404.474 1.733 20 0 HDADRO COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000429060203 1073493774 /nfs/dbraw/zinc/49/37/74/1073493774.db2.gz LLSHAMJKXBGJIE-IEBWSBKVSA-N 1 0 409.552 1.732 20 0 HDADRO Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429061157 1073495829 /nfs/dbraw/zinc/49/58/29/1073495829.db2.gz QQNKXVJMAGNHIH-QGZVFWFLSA-N 1 0 411.531 1.607 20 0 HDADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001299281971 1073515061 /nfs/dbraw/zinc/51/50/61/1073515061.db2.gz VOUAQTDANVEDQV-AEFFLSMTSA-N 1 0 412.575 1.983 20 0 HDADRO C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C[N@@H+]1Cc1ccccc1 ZINC000509099791 1073518572 /nfs/dbraw/zinc/51/85/72/1073518572.db2.gz XMAVSPLCHPOBMW-BHIYHBOVSA-N 1 0 409.552 1.400 20 0 HDADRO C[C@H](CNC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)C[NH+]1CCN(C)CC1 ZINC000509097350 1073521450 /nfs/dbraw/zinc/52/14/50/1073521450.db2.gz JMKBSUTXVRQGFJ-MOXGXCLJSA-N 1 0 421.973 1.795 20 0 HDADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000429081709 1073526844 /nfs/dbraw/zinc/52/68/44/1073526844.db2.gz PWAHOZAEANDCIZ-IXDOHACOSA-N 1 0 400.531 1.369 20 0 HDADRO COC(=O)Cn1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000429084837 1073531863 /nfs/dbraw/zinc/53/18/63/1073531863.db2.gz XMWDEPHBNVXANC-MAUKXSAKSA-N 1 0 400.483 1.161 20 0 HDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000625183259 1073543162 /nfs/dbraw/zinc/54/31/62/1073543162.db2.gz MEHZOFPVPPKVMD-CABCVRRESA-N 1 0 401.554 1.128 20 0 HDADRO Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000625182640 1073551655 /nfs/dbraw/zinc/55/16/55/1073551655.db2.gz KHHZTAFDIFXJNZ-KRWDZBQOSA-N 1 0 401.511 1.698 20 0 HDADRO O=C(Cc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1)N1CCOCC1 ZINC000429093177 1073554239 /nfs/dbraw/zinc/55/42/39/1073554239.db2.gz ACUKDHXIBRAJLM-IBGZPJMESA-N 1 0 416.522 1.274 20 0 HDADRO O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000429104044 1073588857 /nfs/dbraw/zinc/58/88/57/1073588857.db2.gz OUIWRFIWVLBXCU-LJQANCHMSA-N 1 0 413.522 1.075 20 0 HDADRO Cc1nnc(CN(C)CC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)n1C ZINC000509119172 1073590153 /nfs/dbraw/zinc/59/01/53/1073590153.db2.gz AXYQFUWWGISHRL-IAGOWNOFSA-N 1 0 414.554 1.481 20 0 HDADRO CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(NC(=[NH2+])N2CCN(C)CC2)c1 ZINC001168740016 1073598326 /nfs/dbraw/zinc/59/83/26/1073598326.db2.gz ATRZPKYHJIYJOZ-QGZVFWFLSA-N 1 0 418.473 1.611 20 0 HDADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CCc4ccc(S(N)(=O)=O)cc43)c2)CC1 ZINC000673672624 1073627984 /nfs/dbraw/zinc/62/79/84/1073627984.db2.gz ITSPGWNKNHVOKG-UHFFFAOYSA-N 1 0 414.531 1.284 20 0 HDADRO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000673673687 1073630011 /nfs/dbraw/zinc/63/00/11/1073630011.db2.gz UGEMIDRMJXKRQN-KRWDZBQOSA-N 1 0 414.554 1.462 20 0 HDADRO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000673710406 1073650118 /nfs/dbraw/zinc/65/01/18/1073650118.db2.gz ZPTDOVUPNAOYJC-BDTNDASRSA-N 1 0 416.566 1.873 20 0 HDADRO CN(C)c1ccc(N2CCC([NH2+][C@@H]3CCN(CCN4CCOCC4)C3)CC2)cc1 ZINC000766022608 1073664183 /nfs/dbraw/zinc/66/41/83/1073664183.db2.gz FORNGKXNXSSDCV-OAQYLSRUSA-N 1 0 401.599 1.718 20 0 HDADRO O=C(N[C@H](CCCO)c1ccccc1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000509127613 1073668999 /nfs/dbraw/zinc/66/89/99/1073668999.db2.gz DRSBARFYJVARFN-AZUAARDMSA-N 1 0 403.523 1.187 20 0 HDADRO COC(=O)C[C@](C)([NH2+]C[C@@H](O)Cn1c(=O)onc1-c1ccccc1)c1ccccn1 ZINC000509129310 1073679373 /nfs/dbraw/zinc/67/93/73/1073679373.db2.gz YMBHBBLTEANXCJ-IERDGZPVSA-N 1 0 412.446 1.327 20 0 HDADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)CC1 ZINC000429123098 1073698262 /nfs/dbraw/zinc/69/82/62/1073698262.db2.gz SMUIEFCUAVDWRS-OALUTQOASA-N 1 0 402.539 1.231 20 0 HDADRO CN(C(=O)c1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1)C1CCOCC1 ZINC000429124080 1073700773 /nfs/dbraw/zinc/70/07/73/1073700773.db2.gz SXOUGNIQAGFNBK-UHFFFAOYSA-N 1 0 418.538 1.858 20 0 HDADRO O=C(NCCC[NH+]1CCCC1)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509136994 1073701747 /nfs/dbraw/zinc/70/17/47/1073701747.db2.gz JKTPJMLXXVRMRO-UHFFFAOYSA-N 1 0 406.911 1.543 20 0 HDADRO O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)NCC[NH+]1CCCCC1 ZINC000509136557 1073703401 /nfs/dbraw/zinc/70/34/01/1073703401.db2.gz IMKQHDDZEYUQCF-UHFFFAOYSA-N 1 0 406.911 1.543 20 0 HDADRO CCN(CCCNC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C)S(C)(=O)=O ZINC000673772252 1073704374 /nfs/dbraw/zinc/70/43/74/1073704374.db2.gz UDCJYXISWXMWRG-GOSISDBHSA-N 1 0 410.584 1.964 20 0 HDADRO C[C@@H]([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H]1OCCc2sccc21 ZINC000429127323 1073705074 /nfs/dbraw/zinc/70/50/74/1073705074.db2.gz LKCOFHXCLPQJLG-ZUOKHONESA-N 1 0 403.504 1.521 20 0 HDADRO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NC[C@H]1CS(=O)(=O)CCO1 ZINC000509138728 1073713828 /nfs/dbraw/zinc/71/38/28/1073713828.db2.gz MNMVNDZOYTVVDK-IBGZPJMESA-N 1 0 409.552 1.675 20 0 HDADRO CCS(=O)(=O)N(C)CCCNC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000673770074 1073714307 /nfs/dbraw/zinc/71/43/07/1073714307.db2.gz HIOGYCHRAGUCPZ-SFHVURJKSA-N 1 0 410.584 1.964 20 0 HDADRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000429132404 1073716712 /nfs/dbraw/zinc/71/67/12/1073716712.db2.gz ZSEQTVGUDWKUDY-KPZWWZAWSA-N 1 0 409.533 1.935 20 0 HDADRO CN1CCOc2ccc(NC(=O)C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)cc21 ZINC000673783409 1073721713 /nfs/dbraw/zinc/72/17/13/1073721713.db2.gz SVRPZFNILIJUKT-QGZVFWFLSA-N 1 0 402.495 1.167 20 0 HDADRO COC[C@@]1(C)NC(=O)N(C[N@H+](CCCOc2ccccc2)C2CCOCC2)C1=O ZINC000766029513 1073733080 /nfs/dbraw/zinc/73/30/80/1073733080.db2.gz BCPCBRNRJJZPFB-OAQYLSRUSA-N 1 0 405.495 1.851 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCc2cn3cccc(C)c3n2)CC1 ZINC000673779574 1073734783 /nfs/dbraw/zinc/73/47/83/1073734783.db2.gz MPCWQYUXFLWOOP-UHFFFAOYSA-N 1 0 400.527 1.381 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)C1 ZINC000673788864 1073735483 /nfs/dbraw/zinc/73/54/83/1073735483.db2.gz COJPOQWNTQHJFE-INIZCTEOSA-N 1 0 402.499 1.175 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000673790038 1073736738 /nfs/dbraw/zinc/73/67/38/1073736738.db2.gz XWFXZIOXHTVIRX-QGZVFWFLSA-N 1 0 405.495 1.746 20 0 HDADRO CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000673809768 1073755132 /nfs/dbraw/zinc/75/51/32/1073755132.db2.gz FNQZKCKLASFJKU-UHFFFAOYSA-N 1 0 400.464 1.638 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCN3c3ncccn3)cc2)C1 ZINC000673816389 1073760727 /nfs/dbraw/zinc/76/07/27/1073760727.db2.gz CYPVJBWJCRRFRY-IEBWSBKVSA-N 1 0 408.506 1.781 20 0 HDADRO CC1CC[NH+](C[C@H](O)CNC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000429138782 1073761712 /nfs/dbraw/zinc/76/17/12/1073761712.db2.gz FUMCCPWYSKHURR-OAHLLOKOSA-N 1 0 417.959 1.636 20 0 HDADRO 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C[C@@H](NC(=O)CNC(=O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1)c1ccc(F)cc1 ZINC000543493382 1073817858 /nfs/dbraw/zinc/81/78/58/1073817858.db2.gz HUASCGIWZMXXAX-KDOFPFPSSA-N 1 0 406.502 1.533 20 0 HDADRO COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)c(OC)c1OC ZINC000673846473 1073821262 /nfs/dbraw/zinc/82/12/62/1073821262.db2.gz PLAIVUCCDOFVPB-INIZCTEOSA-N 1 0 405.495 1.481 20 0 HDADRO NC(=O)C[C@@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1CCOCC1 ZINC000543494420 1073824264 /nfs/dbraw/zinc/82/42/64/1073824264.db2.gz GZEBWXQMBBNCLP-JKSUJKDBSA-N 1 0 415.412 1.951 20 0 HDADRO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861182 1073829554 /nfs/dbraw/zinc/82/95/54/1073829554.db2.gz CQGPJJJTHLMXCN-KRWDZBQOSA-N 1 0 406.494 1.995 20 0 HDADRO CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673865327 1073831874 /nfs/dbraw/zinc/83/18/74/1073831874.db2.gz MFPPSMCRSWIVCV-UHFFFAOYSA-N 1 0 422.555 1.594 20 0 HDADRO 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COC(=O)c1cccc(NC(=O)CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000543521176 1073987749 /nfs/dbraw/zinc/98/77/49/1073987749.db2.gz AQRZBWXJECKTGY-UHFFFAOYSA-N 1 0 402.539 1.761 20 0 HDADRO CCn1c(C[NH2+]C(C)(C)CC(N)=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000543524133 1073995030 /nfs/dbraw/zinc/99/50/30/1073995030.db2.gz UBXVQYTVGUWPDU-UHFFFAOYSA-N 1 0 421.567 1.974 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)c1 ZINC000673985465 1074001050 /nfs/dbraw/zinc/00/10/50/1074001050.db2.gz TXCDCKKHJCSVFF-DQLDELGASA-N 1 0 418.538 1.523 20 0 HDADRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000543524649 1074005270 /nfs/dbraw/zinc/00/52/70/1074005270.db2.gz MKCARFXTOYYAEO-HUUCEWRRSA-N 1 0 422.551 1.445 20 0 HDADRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN1CCNC1=O ZINC000543534040 1074027100 /nfs/dbraw/zinc/02/71/00/1074027100.db2.gz LKZRTRXLRQBQEG-ZACQAIPSSA-N 1 0 415.538 1.633 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCN1CCc2ccccc2C1=O ZINC000466588496 1074038635 /nfs/dbraw/zinc/03/86/35/1074038635.db2.gz JKPFZRCKRDLKOP-UHFFFAOYSA-N 1 0 409.490 1.667 20 0 HDADRO C[NH+](C)CCn1c2cc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)ccc2oc1=O ZINC000058738043 1074057847 /nfs/dbraw/zinc/05/78/47/1074057847.db2.gz HEVMOVBSALQPKW-UHFFFAOYSA-N 1 0 421.457 1.964 20 0 HDADRO O=C(Nc1nncs1)C1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC001626093651 1074074195 /nfs/dbraw/zinc/07/41/95/1074074195.db2.gz VFPSSBZJEISLMO-HNNXBMFYSA-N 1 0 409.581 1.933 20 0 HDADRO O=C(Nc1ccccc1CN1CCNC1=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000543553342 1074078845 /nfs/dbraw/zinc/07/88/45/1074078845.db2.gz NEFMBGBQVGDXLS-UHFFFAOYSA-N 1 0 413.522 1.627 20 0 HDADRO CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001626093823 1074079628 /nfs/dbraw/zinc/07/96/28/1074079628.db2.gz WZDQBHMCZACTDA-IAGOWNOFSA-N 1 0 413.565 1.808 20 0 HDADRO COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000674023167 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AXWMTIWGSVJIJV-UHFFFAOYSA-N 1 0 415.538 1.046 20 0 HDADRO C[C@H]([NH2+][C@H]1Cc2cccc(O)c2C1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000429234658 1074452128 /nfs/dbraw/zinc/45/21/28/1074452128.db2.gz ZFXJTVSJGJZQHV-UWJYYQICSA-N 1 0 409.530 1.986 20 0 HDADRO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 ZINC000674584450 1074463658 /nfs/dbraw/zinc/46/36/58/1074463658.db2.gz RGSRSTMKRAIDGH-VGOFRKELSA-N 1 0 416.522 1.858 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000674583910 1074464684 /nfs/dbraw/zinc/46/46/84/1074464684.db2.gz NCVPCRWCTCYABJ-VGSWGCGISA-N 1 0 413.522 1.035 20 0 HDADRO Cc1cc(C)cc(CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000509230976 1074473354 /nfs/dbraw/zinc/47/33/54/1074473354.db2.gz CWZJXIOSLBITPC-CTNGQTDRSA-N 1 0 400.567 1.447 20 0 HDADRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)N1CCOCC1 ZINC000674621850 1074482291 /nfs/dbraw/zinc/48/22/91/1074482291.db2.gz ZEOHEFKXCHXKGT-PMACEKPBSA-N 1 0 402.539 1.835 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Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)o1 ZINC000674638282 1074497574 /nfs/dbraw/zinc/49/75/74/1074497574.db2.gz FHWRQXJEFKEHRL-YWZLYKJASA-N 1 0 405.499 1.382 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1=O ZINC000674644633 1074502970 /nfs/dbraw/zinc/50/29/70/1074502970.db2.gz XIDVLTIBDZHKGF-LAUBAEHRSA-N 1 0 407.559 1.860 20 0 HDADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NS(=O)(=O)c2ccc3c(c2)OCO3)C1 ZINC000509234073 1074508882 /nfs/dbraw/zinc/50/88/82/1074508882.db2.gz MANKZNDALZOSEK-HNNXBMFYSA-N 1 0 417.487 1.913 20 0 HDADRO C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000674665450 1074511305 /nfs/dbraw/zinc/51/13/05/1074511305.db2.gz SQLJUFHTDYPLIQ-OAHLLOKOSA-N 1 0 402.520 1.979 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)cn1 ZINC000674697808 1074527645 /nfs/dbraw/zinc/52/76/45/1074527645.db2.gz WYENMABUQTUBEX-UHFFFAOYSA-N 1 0 400.483 1.998 20 0 HDADRO Cc1ccc(CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c(N2CCOCC2)c1 ZINC000674703710 1074529532 /nfs/dbraw/zinc/52/95/32/1074529532.db2.gz PFVOKLAVVCLRAK-UHFFFAOYSA-N 1 0 403.571 1.657 20 0 HDADRO Cc1cnc([C@@H](C)NC(=O)C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)s1 ZINC000674712268 1074531659 /nfs/dbraw/zinc/53/16/59/1074531659.db2.gz OADOZDMRJBEUCK-MRXNPFEDSA-N 1 0 407.584 1.646 20 0 HDADRO COc1cc(OC)cc(OCCCNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000674707416 1074535569 /nfs/dbraw/zinc/53/55/69/1074535569.db2.gz FQWYLTYPLBFXON-PMACEKPBSA-N 1 0 407.511 1.713 20 0 HDADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000674777571 1074552879 /nfs/dbraw/zinc/55/28/79/1074552879.db2.gz IUJSHHNGJSZGKQ-KRWDZBQOSA-N 1 0 419.551 1.130 20 0 HDADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000674764076 1074558535 /nfs/dbraw/zinc/55/85/35/1074558535.db2.gz WDPZXKLSPSLOLV-UHFFFAOYSA-N 1 0 408.550 1.903 20 0 HDADRO CN(c1ncc(I)cn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000766076421 1074583713 /nfs/dbraw/zinc/58/37/13/1074583713.db2.gz HKLGBINTHTYSDD-AWEZNQCLSA-N 1 0 401.296 1.686 20 0 HDADRO C[NH+]1CCC(OCC(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1 ZINC001128834595 1074585226 /nfs/dbraw/zinc/58/52/26/1074585226.db2.gz DZQFKCRXBPRHQG-UHFFFAOYSA-N 1 0 408.442 1.836 20 0 HDADRO COc1ccc(C(=O)N2CCC([NH2+]C[C@@H](O)COC3CCOCC3)CC2)c(OC)c1 ZINC000674845543 1074591359 /nfs/dbraw/zinc/59/13/59/1074591359.db2.gz UWPSZLOAJSWNBU-QGZVFWFLSA-N 1 0 422.522 1.455 20 0 HDADRO O=S(=O)(CC[NH2+][C@H]1CCN(c2ccccc2)C1)N1CCN(c2ccccn2)CC1 ZINC000674879929 1074600555 /nfs/dbraw/zinc/60/05/55/1074600555.db2.gz LSCDBGYXUNARHM-IBGZPJMESA-N 1 0 415.563 1.402 20 0 HDADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)cn2)CC1 ZINC000674916502 1074613661 /nfs/dbraw/zinc/61/36/61/1074613661.db2.gz PLEJUPXKNZSGMR-RTBURBONSA-N 1 0 403.527 1.313 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000674917455 1074614616 /nfs/dbraw/zinc/61/46/16/1074614616.db2.gz JTQZAWZDSLLPTD-VXKWHMMOSA-N 1 0 416.566 1.914 20 0 HDADRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000674918480 1074620523 /nfs/dbraw/zinc/62/05/23/1074620523.db2.gz SPLUZFALMFWSMX-SFTDATJTSA-N 1 0 402.539 1.788 20 0 HDADRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(CCO)CCN1CCOCC1 ZINC000485474964 1074621283 /nfs/dbraw/zinc/62/12/83/1074621283.db2.gz BHSTZEIASMPLFS-FRIKZZABSA-N 1 0 416.566 1.518 20 0 HDADRO Cc1c(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000674948381 1074635390 /nfs/dbraw/zinc/63/53/90/1074635390.db2.gz TZBSFHGGHQXJMD-WOJBJXKFSA-N 1 0 411.506 1.584 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000674971722 1074654814 /nfs/dbraw/zinc/65/48/14/1074654814.db2.gz HOOHROQKZZYFAH-FQEVSTJZSA-N 1 0 415.582 1.545 20 0 HDADRO CC(C)c1cc(NC(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)no1 ZINC000442507010 1074657532 /nfs/dbraw/zinc/65/75/32/1074657532.db2.gz IHVRHJVHMOVKPR-OAQYLSRUSA-N 1 0 400.479 1.832 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC(OCCCO)CC2)CC1 ZINC000674986142 1074661256 /nfs/dbraw/zinc/66/12/56/1074661256.db2.gz MFFFCFRSCFGJCC-UHFFFAOYSA-N 1 0 412.575 1.186 20 0 HDADRO COc1ccccc1N1CC[C@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000674997675 1074675176 /nfs/dbraw/zinc/67/51/76/1074675176.db2.gz PFLBRPCSYXFPKV-OALUTQOASA-N 1 0 401.555 1.695 20 0 HDADRO Cc1ccc(NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c(OCC[NH+](C)C)c1 ZINC000675002356 1074683336 /nfs/dbraw/zinc/68/33/36/1074683336.db2.gz BBLZLSYULBLJED-MJGOQNOKSA-N 1 0 405.495 1.280 20 0 HDADRO COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c(OC)c1 ZINC000467678372 1074684664 /nfs/dbraw/zinc/68/46/64/1074684664.db2.gz YWMLZMPDZRXHOX-KGLIPLIRSA-N 1 0 405.451 1.124 20 0 HDADRO O=C(CNC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1)Nc1ccccc1Br ZINC000429315181 1074700427 /nfs/dbraw/zinc/70/04/27/1074700427.db2.gz IRUZBNXKVZPQGD-CYBMUJFWSA-N 1 0 418.291 1.966 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC000675087627 1074702966 /nfs/dbraw/zinc/70/29/66/1074702966.db2.gz SZWJKLNJMXYVDL-UKRRQHHQSA-N 1 0 409.449 1.170 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCc3ccccc3C[N@H+](C)C(C)C)CCN2C1=O ZINC000675087400 1074704749 /nfs/dbraw/zinc/70/47/49/1074704749.db2.gz OTDBKSBEWYNFSV-GOSISDBHSA-N 1 0 401.511 1.705 20 0 HDADRO COc1ccc(CN(C)C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1OC ZINC000675087114 1074705322 /nfs/dbraw/zinc/70/53/22/1074705322.db2.gz CHPDFXQPBFIENZ-UHFFFAOYSA-N 1 0 421.538 1.668 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)CCN2C1=O ZINC000675096237 1074708638 /nfs/dbraw/zinc/70/86/38/1074708638.db2.gz WYAWCBCGCRLGND-OALUTQOASA-N 1 0 413.522 1.810 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NCC3([NH+]4CCSCC4)CCCC3)CCN2C1=O ZINC000675089456 1074712439 /nfs/dbraw/zinc/71/24/39/1074712439.db2.gz AIJFRFCPTCZSFS-HNNXBMFYSA-N 1 0 409.556 1.026 20 0 HDADRO CC(C)n1ccc(NC(=O)C(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000507785408 1074714317 /nfs/dbraw/zinc/71/43/17/1074714317.db2.gz VXNUSFOWTPWUPM-FQEVSTJZSA-N 1 0 424.549 1.821 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)nn1[C@@H](C)C1CC1 ZINC000544203237 1074715488 /nfs/dbraw/zinc/71/54/88/1074715488.db2.gz HYKBCKKOHLYBET-PKOBYXMFSA-N 1 0 416.570 1.730 20 0 HDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000466664868 1074717686 /nfs/dbraw/zinc/71/76/86/1074717686.db2.gz GLSPSRHYDMFEOD-ZIAGYGMSSA-N 1 0 401.479 1.671 20 0 HDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101830 1074718108 /nfs/dbraw/zinc/71/81/08/1074718108.db2.gz APXAGMSDHTZARH-JKSUJKDBSA-N 1 0 406.962 1.781 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C[N@@H+]1Cc1ccccc1 ZINC000675102627 1074718825 /nfs/dbraw/zinc/71/88/25/1074718825.db2.gz KILNMTZCXQUCGP-RHSMWYFYSA-N 1 0 420.510 1.935 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)CCN2C1=O ZINC000675105077 1074721185 /nfs/dbraw/zinc/72/11/85/1074721185.db2.gz XRQGAWVBGYKIAO-GOSISDBHSA-N 1 0 414.510 1.247 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)CCN2C1=O ZINC000675106760 1074721502 /nfs/dbraw/zinc/72/15/02/1074721502.db2.gz NMHKOPCIGRYXHM-SJLPKXTDSA-N 1 0 401.511 1.575 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CCN2C1=O ZINC000675108143 1074723740 /nfs/dbraw/zinc/72/37/40/1074723740.db2.gz MSDAIWOWBFUMQF-QRQLOZEOSA-N 1 0 413.522 1.717 20 0 HDADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1=O ZINC000675124714 1074725223 /nfs/dbraw/zinc/72/52/23/1074725223.db2.gz YPMINPXECWNIBC-JCYILVPMSA-N 1 0 414.506 1.050 20 0 HDADRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000504612032 1074725528 /nfs/dbraw/zinc/72/55/28/1074725528.db2.gz FSAUHKAWCCZOIO-UHFFFAOYSA-N 1 0 418.501 1.830 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000675121562 1074727389 /nfs/dbraw/zinc/72/73/89/1074727389.db2.gz ODQQAQGFWNEENY-UHFFFAOYSA-N 1 0 415.307 1.669 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)nn1-c1ccc(F)cc1F ZINC000582989368 1074727688 /nfs/dbraw/zinc/72/76/88/1074727688.db2.gz QQUHFXXPHHTDQP-HNNXBMFYSA-N 1 0 403.433 2.094 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)nn1-c1ccc(F)cc1F ZINC000560152148 1074729462 /nfs/dbraw/zinc/72/94/62/1074729462.db2.gz RWLLLVNQEPOSQD-FQEVSTJZSA-N 1 0 403.433 1.952 20 0 HDADRO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)C1=O ZINC000675128767 1074734462 /nfs/dbraw/zinc/73/44/62/1074734462.db2.gz IPHIDGUVETYWNQ-INIZCTEOSA-N 1 0 416.522 1.297 20 0 HDADRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)Nc1ccccc1CN1CCNC1=O ZINC000543615385 1074735005 /nfs/dbraw/zinc/73/50/05/1074735005.db2.gz ZSTXXUFEUBXGND-PMACEKPBSA-N 1 0 423.517 1.969 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCOCC2)nn1-c1cccc(Cl)c1 ZINC000539639462 1074739821 /nfs/dbraw/zinc/73/98/21/1074739821.db2.gz BZADJZVQPOIZNJ-UHFFFAOYSA-N 1 0 419.913 2.000 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000477034890 1074740653 /nfs/dbraw/zinc/74/06/53/1074740653.db2.gz PSCQRCOIUCNODZ-KRWDZBQOSA-N 1 0 402.539 1.502 20 0 HDADRO COc1ccc(-c2cncc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)c2)cc1 ZINC000675141372 1074741227 /nfs/dbraw/zinc/74/12/27/1074741227.db2.gz RAKMLMZPBAMFNN-OAQYLSRUSA-N 1 0 410.518 1.894 20 0 HDADRO Cc1c(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000675188285 1074752331 /nfs/dbraw/zinc/75/23/31/1074752331.db2.gz JJKLZSFFYMNHMF-HKUYNNGSSA-N 1 0 408.506 1.447 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000477037983 1074753640 /nfs/dbraw/zinc/75/36/40/1074753640.db2.gz YOJCJJHSRYFDRT-AZUAARDMSA-N 1 0 404.555 1.331 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000477038233 1074754674 /nfs/dbraw/zinc/75/46/74/1074754674.db2.gz ZUIJQCDNKSSDDX-GDBMZVCRSA-N 1 0 408.930 1.798 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000477038238 1074754808 /nfs/dbraw/zinc/75/48/08/1074754808.db2.gz ZUIJQCDNKSSDDX-HOCLYGCPSA-N 1 0 408.930 1.798 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000675198453 1074755686 /nfs/dbraw/zinc/75/56/86/1074755686.db2.gz VMGKWOBVLKPPAA-QGZVFWFLSA-N 1 0 423.583 1.301 20 0 HDADRO CCO[C@H](C)c1noc(CN2CCN(C(=O)N[C@H](CC)C[NH+]3CCCC3)CC2)n1 ZINC000675200516 1074756106 /nfs/dbraw/zinc/75/61/06/1074756106.db2.gz UUCAEXNCOZLFRH-IAGOWNOFSA-N 1 0 408.547 1.869 20 0 HDADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000675221279 1074763248 /nfs/dbraw/zinc/76/32/48/1074763248.db2.gz WSPGASAOMMDXLV-INIZCTEOSA-N 1 0 413.522 1.851 20 0 HDADRO Cn1nc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(=O)c2ccccc21 ZINC000429323928 1074767624 /nfs/dbraw/zinc/76/76/24/1074767624.db2.gz CABQWDHMXPJURH-SFHVURJKSA-N 1 0 406.486 1.954 20 0 HDADRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000543619413 1074772776 /nfs/dbraw/zinc/77/27/76/1074772776.db2.gz ORAZBVDXCZYRHO-UHFFFAOYSA-N 1 0 410.462 1.424 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000477062975 1074773506 /nfs/dbraw/zinc/77/35/06/1074773506.db2.gz ZAGGCICJCHHDRT-HKUYNNGSSA-N 1 0 406.596 1.567 20 0 HDADRO Cc1cc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)nn1-c1ccc(F)cc1F ZINC000582146094 1074774507 /nfs/dbraw/zinc/77/45/07/1074774507.db2.gz IMWUJWBSHYMAHD-CYBMUJFWSA-N 1 0 407.465 2.490 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000477063247 1074774629 /nfs/dbraw/zinc/77/46/29/1074774629.db2.gz ZUSFHLPEPXEUCU-HNNXBMFYSA-N 1 0 410.509 1.892 20 0 HDADRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nn1-c1ccc(F)cc1F ZINC000573244516 1074778715 /nfs/dbraw/zinc/77/87/15/1074778715.db2.gz JFLYTMDYRAXHAM-RDJZCZTQSA-N 1 0 403.433 2.140 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000477070244 1074779202 /nfs/dbraw/zinc/77/92/02/1074779202.db2.gz RVOZEKWDANSUIO-RTBURBONSA-N 1 0 403.571 1.160 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000477059533 1074780697 /nfs/dbraw/zinc/78/06/97/1074780697.db2.gz CFSNJHXKXGVOKC-QGZVFWFLSA-N 1 0 402.539 1.388 20 0 HDADRO CNC(=O)c1cc(Oc2ccccc2NC(=O)N2CCN(CCO)[C@@H](C)C2)ccn1 ZINC000429329332 1074780939 /nfs/dbraw/zinc/78/09/39/1074780939.db2.gz QHSYPANAJUJBNY-HNNXBMFYSA-N 1 0 413.478 1.764 20 0 HDADRO O=C(CCNS(=O)(=O)c1cccs1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000675282216 1074787458 /nfs/dbraw/zinc/78/74/58/1074787458.db2.gz WKXVJTRESMYAJJ-MRXNPFEDSA-N 1 0 415.581 1.520 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000477081419 1074788588 /nfs/dbraw/zinc/78/85/88/1074788588.db2.gz LYPREXUZPBUXPO-OAHLLOKOSA-N 1 0 406.502 1.393 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000477081853 1074788941 /nfs/dbraw/zinc/78/89/41/1074788941.db2.gz NGFIGYMTOLTJKB-KRWDZBQOSA-N 1 0 420.554 1.589 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000477087385 1074790446 /nfs/dbraw/zinc/79/04/46/1074790446.db2.gz WYBKPWZNLMIPPJ-YOEHRIQHSA-N 1 0 407.490 1.395 20 0 HDADRO CCC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC)C(=O)N1CCc2sccc2C1 ZINC000477096208 1074791927 /nfs/dbraw/zinc/79/19/27/1074791927.db2.gz GNPHORGRCFUFDQ-NVXWUHKLSA-N 1 0 422.595 1.764 20 0 HDADRO Cc1cc(NC(=O)C2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)no1 ZINC000426531055 1074807969 /nfs/dbraw/zinc/80/79/69/1074807969.db2.gz GRQIAOLCCPHUEG-QZTJIDSGSA-N 1 0 419.526 1.721 20 0 HDADRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675326776 1074807829 /nfs/dbraw/zinc/80/78/29/1074807829.db2.gz ZXKICLDEIXIXQK-DQYPLSBCSA-N 1 0 404.898 1.160 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC[C@@H]21 ZINC000766108692 1074812842 /nfs/dbraw/zinc/81/28/42/1074812842.db2.gz KWERAVGLVFJLBA-ABAIWWIYSA-N 1 0 416.341 1.653 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC[C@@H]21 ZINC000766106925 1074815100 /nfs/dbraw/zinc/81/51/00/1074815100.db2.gz GASTWDMPHAKOON-ZRNYENFQSA-N 1 0 401.507 1.701 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC[C@@H]21 ZINC000766109887 1074816999 /nfs/dbraw/zinc/81/69/99/1074816999.db2.gz QPSWFAUIMJLONV-DOMZBBRYSA-N 1 0 405.300 1.981 20 0 HDADRO CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429333370 1074819663 /nfs/dbraw/zinc/81/96/63/1074819663.db2.gz YTAXDWBRRSJGAZ-QZTJIDSGSA-N 1 0 411.568 1.358 20 0 HDADRO CCN1C[C@@H](CN(C)C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)Oc2ccccc21 ZINC000670503598 1074821576 /nfs/dbraw/zinc/82/15/76/1074821576.db2.gz AYSGBNWJKRHALY-GOSISDBHSA-N 1 0 404.555 1.967 20 0 HDADRO CCN1C[C@H](CN(C)C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)Oc2ccccc21 ZINC000670503599 1074821804 /nfs/dbraw/zinc/82/18/04/1074821804.db2.gz AYSGBNWJKRHALY-SFHVURJKSA-N 1 0 404.555 1.967 20 0 HDADRO CS(=O)(=O)Cc1cc(F)ccc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000675372930 1075091625 /nfs/dbraw/zinc/09/16/25/1075091625.db2.gz XCAKMVBETYRSJU-AWEZNQCLSA-N 1 0 413.515 1.993 20 0 HDADRO CN(Cc1nnc2n1CCC2)C(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000143108287 1075091929 /nfs/dbraw/zinc/09/19/29/1075091929.db2.gz VVXRPMMGDBXRRB-UHFFFAOYSA-N 1 0 414.535 1.370 20 0 HDADRO CCCCCn1cc(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c(C)n1 ZINC000427293525 1075092798 /nfs/dbraw/zinc/09/27/98/1075092798.db2.gz CGBZIFKIEIJKJQ-UHFFFAOYSA-N 1 0 415.542 2.100 20 0 HDADRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000670510735 1075094590 /nfs/dbraw/zinc/09/45/90/1075094590.db2.gz QVNIBOWWWFIPQN-QZTJIDSGSA-N 1 0 404.555 1.561 20 0 HDADRO CCCCN(C)S(=O)(=O)c1cccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000575857589 1075096481 /nfs/dbraw/zinc/09/64/81/1075096481.db2.gz KGADZHOURNAESK-UHFFFAOYSA-N 1 0 422.555 2.509 20 0 HDADRO Cc1cc(NC(=O)CN2CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)no1 ZINC000483998853 1075109296 /nfs/dbraw/zinc/10/92/96/1075109296.db2.gz BONDMCSISCYDLN-UHFFFAOYSA-N 1 0 418.542 1.656 20 0 HDADRO Cc1cc(NC(=O)CN2CCN(C(=O)NC[C@@H]3CCCC[N@H+]3CC(C)C)CC2)no1 ZINC000439202718 1075110232 /nfs/dbraw/zinc/11/02/32/1075110232.db2.gz FYYDMHIPJLLWQE-SFHVURJKSA-N 1 0 420.558 1.759 20 0 HDADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)C1 ZINC000446746970 1075117687 /nfs/dbraw/zinc/11/76/87/1075117687.db2.gz YBAINRYOVUNMOF-OAHLLOKOSA-N 1 0 402.474 1.844 20 0 HDADRO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675379811 1075119206 /nfs/dbraw/zinc/11/92/06/1075119206.db2.gz PBOTVHODYOIKDV-IIYDPXPESA-N 1 0 422.888 1.444 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C(C)C ZINC000675379453 1075119509 /nfs/dbraw/zinc/11/95/09/1075119509.db2.gz DCBRFXGUKMPWBP-INIZCTEOSA-N 1 0 412.893 1.547 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2cc(F)ccc2OC(F)F)CC1 ZINC000675396079 1075125308 /nfs/dbraw/zinc/12/53/08/1075125308.db2.gz DKNAZIWMNJJFTB-UHFFFAOYSA-N 1 0 402.417 1.508 20 0 HDADRO C[C@@H](c1ccccc1)n1ccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC000675405296 1075129295 /nfs/dbraw/zinc/12/92/95/1075129295.db2.gz YYCMOZZWKGWBCX-PKOBYXMFSA-N 1 0 413.522 1.784 20 0 HDADRO Cc1cc(NC(=O)CSCC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)no1 ZINC000467034144 1075134810 /nfs/dbraw/zinc/13/48/10/1075134810.db2.gz RBMGLMZBHGLKCG-PBHICJAKSA-N 1 0 402.520 2.434 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000675413005 1075136782 /nfs/dbraw/zinc/13/67/82/1075136782.db2.gz AHTFXZQVNMZYPV-DYVFJYSZSA-N 1 0 424.904 1.690 20 0 HDADRO CCCOc1ncccc1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427021851 1075138081 /nfs/dbraw/zinc/13/80/81/1075138081.db2.gz KWJBBOQSEBYPAO-UHFFFAOYSA-N 1 0 400.483 1.589 20 0 HDADRO CCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000428324311 1075139489 /nfs/dbraw/zinc/13/94/89/1075139489.db2.gz DVAMNYWUIZOMFJ-UHFFFAOYSA-N 1 0 405.524 2.554 20 0 HDADRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000675418967 1075140462 /nfs/dbraw/zinc/14/04/62/1075140462.db2.gz UUXOJYKEYDUPLC-HXUWFJFHSA-N 1 0 414.550 1.137 20 0 HDADRO COCC[NH+]1CCC(NC(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)CC1 ZINC000143657242 1075143091 /nfs/dbraw/zinc/14/30/91/1075143091.db2.gz DBRREYJAXLUMJX-GASCZTMLSA-N 1 0 411.572 1.985 20 0 HDADRO COCCCn1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000444518849 1075143310 /nfs/dbraw/zinc/14/33/10/1075143310.db2.gz FDZREZCMITXMIY-LJQANCHMSA-N 1 0 413.522 1.981 20 0 HDADRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CC[NH+](C)CC1 ZINC000675438414 1075146529 /nfs/dbraw/zinc/14/65/29/1075146529.db2.gz DKRZDJOWMLSTGT-SJKOYZFVSA-N 1 0 424.904 1.547 20 0 HDADRO O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670527143 1075151469 /nfs/dbraw/zinc/15/14/69/1075151469.db2.gz GYQNTBOOZVRYCY-LJQANCHMSA-N 1 0 406.571 1.225 20 0 HDADRO Cc1cc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)nn1C1CCCCC1 ZINC000555007483 1075156252 /nfs/dbraw/zinc/15/62/52/1075156252.db2.gz KZEVJJIOEUZWAX-UHFFFAOYSA-N 1 0 402.543 2.469 20 0 HDADRO O=S(=O)(CC[C@@H]1CCCO1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000675458915 1075157171 /nfs/dbraw/zinc/15/71/71/1075157171.db2.gz ZZFFUXZEVNFLFV-UXHICEINSA-N 1 0 422.595 1.815 20 0 HDADRO CCCc1c(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cnn1-c1ccccc1C ZINC000551180446 1075163581 /nfs/dbraw/zinc/16/35/81/1075163581.db2.gz ZJJYPECUQRGNKQ-UHFFFAOYSA-N 1 0 423.521 2.469 20 0 HDADRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c2ccccc2O1 ZINC000675472539 1075166891 /nfs/dbraw/zinc/16/68/91/1075166891.db2.gz PDLGANSOWLTZQN-OAHLLOKOSA-N 1 0 418.519 1.769 20 0 HDADRO C[C@@H]([NH2+]CCCC(C)(C)CO)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766143435 1075169586 /nfs/dbraw/zinc/16/95/86/1075169586.db2.gz ZYITXYAETURQIE-CQSZACIVSA-N 1 0 406.570 1.862 20 0 HDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000490501261 1075171178 /nfs/dbraw/zinc/17/11/78/1075171178.db2.gz RIUHKLPGOAZXAM-CQSZACIVSA-N 1 0 405.886 1.691 20 0 HDADRO COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)C1 ZINC000540741130 1075171811 /nfs/dbraw/zinc/17/18/11/1075171811.db2.gz IRZIZHMLZJTCBD-CQSZACIVSA-N 1 0 405.886 1.610 20 0 HDADRO O=C(CN1CCC[N@H+](C[C@H]2CCCO2)CC1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000675497062 1075177363 /nfs/dbraw/zinc/17/73/63/1075177363.db2.gz VDCRTFDCNIDQRO-MRXNPFEDSA-N 1 0 419.917 1.441 20 0 HDADRO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675498129 1075179359 /nfs/dbraw/zinc/17/93/59/1075179359.db2.gz MTSUHZFPLWAQPR-FQEVSTJZSA-N 1 0 423.561 1.741 20 0 HDADRO O=C(CN1CCN(c2cc[nH+]cc2)CC1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000675500074 1075180407 /nfs/dbraw/zinc/18/04/07/1075180407.db2.gz XCWUNXJWINRWSM-UHFFFAOYSA-N 1 0 413.566 1.891 20 0 HDADRO CC(C)(C)N1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1=O ZINC000429357807 1075186490 /nfs/dbraw/zinc/18/64/90/1075186490.db2.gz PUKNMOBJJNOKFD-SFHVURJKSA-N 1 0 402.539 1.842 20 0 HDADRO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC(S(C)(=O)=O)CC2)CC1 ZINC000675505892 1075187117 /nfs/dbraw/zinc/18/71/17/1075187117.db2.gz XQIJGDBSLZZQDA-UHFFFAOYSA-N 1 0 407.580 1.585 20 0 HDADRO C[NH+](C)C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000675511042 1075189824 /nfs/dbraw/zinc/18/98/24/1075189824.db2.gz AMIVSBGGODBGCL-MRXNPFEDSA-N 1 0 403.504 1.711 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)c2ccccc2O1 ZINC000675511902 1075190663 /nfs/dbraw/zinc/19/06/63/1075190663.db2.gz ZBUXWYVSYPMKMI-AOMKIAJQSA-N 1 0 408.458 1.711 20 0 HDADRO CNC(=O)N[C@H]1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000467559502 1075192671 /nfs/dbraw/zinc/19/26/71/1075192671.db2.gz IBKJOJVBYZURRR-HKUYNNGSSA-N 1 0 403.527 1.935 20 0 HDADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCN1CCCS1(=O)=O ZINC000675534049 1075193103 /nfs/dbraw/zinc/19/31/03/1075193103.db2.gz ZRMIDYYVKYFWCW-RUYXUALKSA-N 1 0 422.595 1.868 20 0 HDADRO CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000675534331 1075193142 /nfs/dbraw/zinc/19/31/42/1075193142.db2.gz JVWYSIUBQMFQBF-UHFFFAOYSA-N 1 0 412.556 1.117 20 0 HDADRO CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000675536861 1075194280 /nfs/dbraw/zinc/19/42/80/1075194280.db2.gz LXELNUGUBHKVRJ-CRAIPNDOSA-N 1 0 409.552 1.747 20 0 HDADRO CCC1CCC2(CC1)NC(=O)N(CC(=O)NC1CC[NH+]([C@H]3CCOC3)CC1)C2=O ZINC000675538010 1075194938 /nfs/dbraw/zinc/19/49/38/1075194938.db2.gz OTSIXHNQCHOKEC-LBKMDBTOSA-N 1 0 406.527 1.247 20 0 HDADRO O=C(CNC(=O)c1cccc(Br)c1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675538403 1075194966 /nfs/dbraw/zinc/19/49/66/1075194966.db2.gz XGFFJJGGMIBMBF-MRXNPFEDSA-N 1 0 410.312 1.548 20 0 HDADRO Cc1cc(=O)c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)nn1-c1ccccc1F ZINC000675538073 1075195161 /nfs/dbraw/zinc/19/51/61/1075195161.db2.gz BOSWGTCFTYOGGR-MRXNPFEDSA-N 1 0 400.454 1.663 20 0 HDADRO O=C(CNC(=O)c1ccc(Br)o1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675537531 1075195190 /nfs/dbraw/zinc/19/51/90/1075195190.db2.gz DNOCHEZTGJUQRX-GFCCVEGCSA-N 1 0 400.273 1.141 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCOc3ccc(C(F)(F)F)cn3)CC2)C1 ZINC000675542712 1075198773 /nfs/dbraw/zinc/19/87/73/1075198773.db2.gz BSYJNWBYQBBPGA-MRXNPFEDSA-N 1 0 415.460 1.901 20 0 HDADRO COCCn1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000507593447 1075204878 /nfs/dbraw/zinc/20/48/78/1075204878.db2.gz MUVYBXKUAONPGI-JOCHJYFZSA-N 1 0 411.506 1.593 20 0 HDADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000675547529 1075205852 /nfs/dbraw/zinc/20/58/52/1075205852.db2.gz VPGSAFIRKHNROH-LMMKCTJWSA-N 1 0 422.595 1.866 20 0 HDADRO CN1CCN(c2ncc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cn2)CC1 ZINC000675552499 1075207309 /nfs/dbraw/zinc/20/73/09/1075207309.db2.gz GEDNCYHAJIVBKQ-ZWKOTPCHSA-N 1 0 409.456 1.853 20 0 HDADRO CC(C)[N@H+](CCO)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000675570803 1075208712 /nfs/dbraw/zinc/20/87/12/1075208712.db2.gz CTZAAKVUWLXCPB-HZPDHXFCSA-N 1 0 413.540 1.126 20 0 HDADRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cc(C2CC2)n(C)n1)c1cccc(OC)c1 ZINC000574444477 1075209308 /nfs/dbraw/zinc/20/93/08/1075209308.db2.gz UIXZEYOTEMFHQT-IBGZPJMESA-N 1 0 413.522 2.444 20 0 HDADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000675580604 1075212267 /nfs/dbraw/zinc/21/22/67/1075212267.db2.gz KMQVAOKHNFIJPZ-SVFBPWRDSA-N 1 0 419.614 1.978 20 0 HDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675603505 1075218687 /nfs/dbraw/zinc/21/86/87/1075218687.db2.gz YEPBRGUMQUDSPP-KRWDZBQOSA-N 1 0 416.522 1.603 20 0 HDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000675603494 1075218776 /nfs/dbraw/zinc/21/87/76/1075218776.db2.gz XZTHHGMAGVOYQD-GOSISDBHSA-N 1 0 416.522 1.473 20 0 HDADRO CN(C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675606092 1075222543 /nfs/dbraw/zinc/22/25/43/1075222543.db2.gz VACWVDOOIMCINU-JTHBVZDNSA-N 1 0 414.594 1.811 20 0 HDADRO COCCn1ncc2ccc(NC(=O)C(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)cc21 ZINC000675607417 1075223306 /nfs/dbraw/zinc/22/33/06/1075223306.db2.gz CSRAVJMTRHYEOT-SFHVURJKSA-N 1 0 401.511 1.954 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)nc2)cn1 ZINC000675607085 1075223660 /nfs/dbraw/zinc/22/36/60/1075223660.db2.gz BEPULUHLIVZGDR-UHFFFAOYSA-N 1 0 400.361 1.358 20 0 HDADRO CCOc1cc2c(cc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)O[C@@H](C)C2 ZINC000675607588 1075224359 /nfs/dbraw/zinc/22/43/59/1075224359.db2.gz KFUDCYULXMYXOH-ZDUSSCGKSA-N 1 0 401.467 1.744 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)cn1 ZINC000675607791 1075224994 /nfs/dbraw/zinc/22/49/94/1075224994.db2.gz IAOWRVYJNZGHAI-UHFFFAOYSA-N 1 0 412.494 1.694 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cn1 ZINC000675608806 1075225809 /nfs/dbraw/zinc/22/58/09/1075225809.db2.gz WURJITZFFNLSBT-UHFFFAOYSA-N 1 0 409.454 1.010 20 0 HDADRO Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)no1 ZINC000557023241 1075226191 /nfs/dbraw/zinc/22/61/91/1075226191.db2.gz RQPIPSYHGGKDLZ-WMLDXEAASA-N 1 0 418.519 2.249 20 0 HDADRO C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675591567 1075230401 /nfs/dbraw/zinc/23/04/01/1075230401.db2.gz KHPMTOKTKBFMLF-GOSISDBHSA-N 1 0 415.494 1.257 20 0 HDADRO CCN1CC[NH+](CCCCNC(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)CC1 ZINC000430001094 1075231695 /nfs/dbraw/zinc/23/16/95/1075231695.db2.gz QMTXKUCHUVGBFV-UHFFFAOYSA-N 1 0 414.554 2.479 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@H+](CC)C2CC2)c1 ZINC000509354367 1075232197 /nfs/dbraw/zinc/23/21/97/1075232197.db2.gz JBVJJJIYODZYDQ-UHFFFAOYSA-N 1 0 403.570 1.480 20 0 HDADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C1 ZINC000675595555 1075233626 /nfs/dbraw/zinc/23/36/26/1075233626.db2.gz VLFJRDQWBIEVAI-NUJGCVRESA-N 1 0 405.543 1.873 20 0 HDADRO COC[C@@H](C)n1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000445160419 1075234659 /nfs/dbraw/zinc/23/46/59/1075234659.db2.gz PNUONUBFZDHJIE-VQIMIIECSA-N 1 0 401.511 2.369 20 0 HDADRO O=C(Nc1ncn(Cc2ccccc2)n1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000533459946 1075235418 /nfs/dbraw/zinc/23/54/18/1075235418.db2.gz NYFHZWWISRBYCI-MJGOQNOKSA-N 1 0 408.506 1.740 20 0 HDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675597638 1075236082 /nfs/dbraw/zinc/23/60/82/1075236082.db2.gz NCUAZKOKAHSCAD-INIZCTEOSA-N 1 0 405.524 1.653 20 0 HDADRO CCN1C[C@H](CN(C)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)Oc2ccccc21 ZINC000603771895 1075238507 /nfs/dbraw/zinc/23/85/07/1075238507.db2.gz UGDWINQWPQLQLU-KRWDZBQOSA-N 1 0 420.473 1.952 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000509357690 1075241109 /nfs/dbraw/zinc/24/11/09/1075241109.db2.gz UEURVASIQGDDKP-OAHLLOKOSA-N 1 0 405.586 1.726 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000804220228 1075241933 /nfs/dbraw/zinc/24/19/33/1075241933.db2.gz QLIMSQJFWRQXBV-INIZCTEOSA-N 1 0 412.575 1.986 20 0 HDADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)n1 ZINC000443842695 1075248138 /nfs/dbraw/zinc/24/81/38/1075248138.db2.gz MWAONOFJEDJSII-FRQCXROJSA-N 1 0 401.511 2.145 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000675714222 1075259576 /nfs/dbraw/zinc/25/95/76/1075259576.db2.gz ZHRGJVVAHCOGJI-NHCUHLMSSA-N 1 0 401.555 1.679 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000804221144 1075262962 /nfs/dbraw/zinc/26/29/62/1075262962.db2.gz RPCQHYQHGRQZFD-ULQDDVLXSA-N 1 0 412.575 1.985 20 0 HDADRO C[C@H](CNC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1)C[NH+]1CCN(C)CC1 ZINC000429374044 1075263360 /nfs/dbraw/zinc/26/33/60/1075263360.db2.gz UIUIFEPCARFQMB-IAGOWNOFSA-N 1 0 400.527 1.904 20 0 HDADRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000675756231 1075264875 /nfs/dbraw/zinc/26/48/75/1075264875.db2.gz KPBBESNGGAOMMQ-UHFFFAOYSA-N 1 0 405.318 1.993 20 0 HDADRO CCOC(=O)Cc1csc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000051235968 1075267054 /nfs/dbraw/zinc/26/70/54/1075267054.db2.gz GZMVLOSEZYFNET-UHFFFAOYSA-N 1 0 409.556 1.929 20 0 HDADRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1cccc(-n2cnnn2)c1 ZINC000675780738 1075267941 /nfs/dbraw/zinc/26/79/41/1075267941.db2.gz NVPKUJCZIFCDCY-ZDUSSCGKSA-N 1 0 406.899 1.945 20 0 HDADRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000675781563 1075268291 /nfs/dbraw/zinc/26/82/91/1075268291.db2.gz OPMWDPVAFWKWOV-CQSZACIVSA-N 1 0 423.560 1.886 20 0 HDADRO COc1cc(C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)ccc1OCC(=O)N(C)C ZINC000675775498 1075269407 /nfs/dbraw/zinc/26/94/07/1075269407.db2.gz UATAJTWXUIHLBJ-OAHLLOKOSA-N 1 0 410.478 1.989 20 0 HDADRO CCOC(=O)Cc1nnc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000462273221 1075272030 /nfs/dbraw/zinc/27/20/30/1075272030.db2.gz QQYQFMHXZLJRFE-ZFWWWQNUSA-N 1 0 403.508 2.286 20 0 HDADRO CO[C@H](c1ccccc1F)[C@H](C)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427303769 1075272876 /nfs/dbraw/zinc/27/28/76/1075272876.db2.gz DBRWEEBGBOBVQA-LIRRHRJNSA-N 1 0 417.485 2.120 20 0 HDADRO C[C@@H]1CN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001129068633 1075274826 /nfs/dbraw/zinc/27/48/26/1075274826.db2.gz PPZWFYOCMQPNBC-INIZCTEOSA-N 1 0 417.535 1.111 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000675819330 1075276923 /nfs/dbraw/zinc/27/69/23/1075276923.db2.gz YOMDFRPIBZJFPU-GOSISDBHSA-N 1 0 407.559 1.162 20 0 HDADRO O=S(=O)(NCC1CC1)c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nc1 ZINC000541933434 1075278666 /nfs/dbraw/zinc/27/86/66/1075278666.db2.gz LVZXEVMBSIUXGR-LJQANCHMSA-N 1 0 416.547 1.949 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)Cn3cnc4c3CCCC4)c2)C1 ZINC000543647403 1075280294 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ZINC000731401005 1075330047 /nfs/dbraw/zinc/33/00/47/1075330047.db2.gz IUJLQAOWHSFRMX-RCCFBDPRSA-N 1 0 423.535 1.624 20 0 HDADRO COc1cc2c(cc1OC)CCN(C(=O)C(=O)Nc1ccn(-c3cc[nH+]cc3)n1)CC2 ZINC000507153548 1075342198 /nfs/dbraw/zinc/34/21/98/1075342198.db2.gz HSIUZBDMEQVUPD-UHFFFAOYSA-N 1 0 421.457 1.850 20 0 HDADRO Cc1c(C(=O)N2CCS[C@H]3COCC[C@@H]32)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000676072614 1075343031 /nfs/dbraw/zinc/34/30/31/1075343031.db2.gz NFTFUZBDKVTPEG-OALUTQOASA-N 1 0 413.547 1.910 20 0 HDADRO CN(Cc1csc(Br)c1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676092374 1075352170 /nfs/dbraw/zinc/35/21/70/1075352170.db2.gz FJBJAZDWQHDWPT-UHFFFAOYSA-N 1 0 414.329 1.866 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cn1 ZINC000676092575 1075352175 /nfs/dbraw/zinc/35/21/75/1075352175.db2.gz IORBXNLBYAYEBY-QZTJIDSGSA-N 1 0 403.458 1.559 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1 ZINC000676092598 1075352203 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20 0 HDADRO Cc1nsc(N2CCCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)n1 ZINC000676097376 1075361962 /nfs/dbraw/zinc/36/19/62/1075361962.db2.gz POIWOIMKGLJOJS-UHFFFAOYSA-N 1 0 412.479 1.105 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000676098919 1075363166 /nfs/dbraw/zinc/36/31/66/1075363166.db2.gz HNIWPMMQPWSGMN-ZDUSSCGKSA-N 1 0 412.400 1.879 20 0 HDADRO COc1ccc(C2(NC(=O)Nc3ccn(CC[NH+](C)C)n3)CCOCC2)cc1F ZINC000444894895 1075364655 /nfs/dbraw/zinc/36/46/55/1075364655.db2.gz AZWBHAJATTZLOY-UHFFFAOYSA-N 1 0 405.474 2.420 20 0 HDADRO CCOc1ccc(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1F ZINC000426917959 1075368859 /nfs/dbraw/zinc/36/88/59/1075368859.db2.gz XGEDTPLMKHRTNA-UHFFFAOYSA-N 1 0 403.458 1.943 20 0 HDADRO COc1ccccc1OCCN(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731502968 1075369578 /nfs/dbraw/zinc/36/95/78/1075369578.db2.gz URNUGVVWQBSBHR-UHFFFAOYSA-N 1 0 406.527 1.658 20 0 HDADRO CNS(=O)(=O)c1cc(NC(=O)C[NH2+][C@H](CC(N)=O)C2CCCCC2)ccc1C ZINC000544456608 1075370116 /nfs/dbraw/zinc/37/01/16/1075370116.db2.gz KWKQLODHCQNRKR-MRXNPFEDSA-N 1 0 410.540 1.256 20 0 HDADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000731479493 1075371502 /nfs/dbraw/zinc/37/15/02/1075371502.db2.gz VNUQIIRONUIJMS-RMKNXTFCSA-N 1 0 422.551 1.130 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cc(Cl)c3c(c2)OCCO3)cn1 ZINC000676089846 1075372216 /nfs/dbraw/zinc/37/22/16/1075372216.db2.gz NYQGYDULYQGBDA-UHFFFAOYSA-N 1 0 407.858 1.124 20 0 HDADRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(F)c1 ZINC000676089574 1075372619 /nfs/dbraw/zinc/37/26/19/1075372619.db2.gz JQRKZBPLIWUUSV-SFHVURJKSA-N 1 0 419.420 1.984 20 0 HDADRO CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000676090034 1075373368 /nfs/dbraw/zinc/37/33/68/1075373368.db2.gz QSUKPXMHFIBLDE-OAHLLOKOSA-N 1 0 414.510 1.228 20 0 HDADRO COc1cc(C)c(CN(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1OC ZINC000676091019 1075375618 /nfs/dbraw/zinc/37/56/18/1075375618.db2.gz UWDCPQUUUILMQT-UHFFFAOYSA-N 1 0 403.483 1.367 20 0 HDADRO CCOc1ccccc1C(=O)N1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000438710150 1075380345 /nfs/dbraw/zinc/38/03/45/1075380345.db2.gz CLBDWXUEKUJDCR-UHFFFAOYSA-N 1 0 414.510 1.833 20 0 HDADRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000804087986 1075387110 /nfs/dbraw/zinc/38/71/10/1075387110.db2.gz MQYHYNOFSJYSNL-ZACQAIPSSA-N 1 0 410.559 1.787 20 0 HDADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000804091461 1075389036 /nfs/dbraw/zinc/38/90/36/1075389036.db2.gz NLLSUKBHNLFEDI-JKSUJKDBSA-N 1 0 410.559 1.881 20 0 HDADRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804091458 1075389153 /nfs/dbraw/zinc/38/91/53/1075389153.db2.gz NLLSUKBHNLFEDI-HOTGVXAUSA-N 1 0 410.559 1.881 20 0 HDADRO CS(=O)(=O)NCCNC(=S)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000731570429 1075390777 /nfs/dbraw/zinc/39/07/77/1075390777.db2.gz SIBAUIPWQJMAKU-INIZCTEOSA-N 1 0 419.016 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NC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000543659986 1075408734 /nfs/dbraw/zinc/40/87/34/1075408734.db2.gz ZMBUOBWMRPALGU-FQEVSTJZSA-N 1 0 401.532 1.798 20 0 HDADRO Cc1cn(-c2ccccc2)nc1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000608536539 1075409658 /nfs/dbraw/zinc/40/96/58/1075409658.db2.gz KRSVZCUOFKWXLU-KRWDZBQOSA-N 1 0 411.506 1.736 20 0 HDADRO C[NH+]1CCN(c2ccc(CNC(=O)C(F)(F)Oc3ccc(C=O)cc3)cn2)CC1 ZINC000731604641 1075410243 /nfs/dbraw/zinc/41/02/43/1075410243.db2.gz QEDZHQPYDIKBEN-UHFFFAOYSA-N 1 0 404.417 1.934 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000676169654 1075410628 /nfs/dbraw/zinc/41/06/28/1075410628.db2.gz YIMGBFNDCRSMSF-RTBURBONSA-N 1 0 407.559 1.297 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000446723093 1075421865 /nfs/dbraw/zinc/42/18/65/1075421865.db2.gz NBWFTPLKARGVCB-INIZCTEOSA-N 1 0 414.485 1.988 20 0 HDADRO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nn1 ZINC000551733094 1075423321 /nfs/dbraw/zinc/42/33/21/1075423321.db2.gz RJBLQPPSFIFHGC-QZTJIDSGSA-N 1 0 409.490 1.937 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000485046259 1075423771 /nfs/dbraw/zinc/42/37/71/1075423771.db2.gz ZNFZWOHHTIOJES-UHFFFAOYSA-N 1 0 400.458 1.786 20 0 HDADRO CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)c1 ZINC000676183913 1075424467 /nfs/dbraw/zinc/42/44/67/1075424467.db2.gz YCVSZKTZMUTLBR-INIZCTEOSA-N 1 0 421.519 1.457 20 0 HDADRO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000543663376 1075425421 /nfs/dbraw/zinc/42/54/21/1075425421.db2.gz MOSCOGISKIEFAU-UHFFFAOYSA-N 1 0 413.526 1.427 20 0 HDADRO NC(=O)c1csc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000676199898 1075434069 /nfs/dbraw/zinc/43/40/69/1075434069.db2.gz OHLLKPUPOOWRBG-HNNXBMFYSA-N 1 0 409.533 1.594 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000731657187 1075440338 /nfs/dbraw/zinc/44/03/38/1075440338.db2.gz YQOKOOOEEZIUIT-KRWDZBQOSA-N 1 0 423.521 1.910 20 0 HDADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)Cn1nnc3ccccc3c1=O)c1ccccc1O2 ZINC000676241838 1075443110 /nfs/dbraw/zinc/44/31/10/1075443110.db2.gz HXJJLJHMNNDZOP-LJQANCHMSA-N 1 0 419.485 1.896 20 0 HDADRO COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(OC)c1 ZINC001006072150 1075443273 /nfs/dbraw/zinc/44/32/73/1075443273.db2.gz BNHXUCDBDFWBJF-NAHQNRHBSA-N 1 0 401.507 1.906 20 0 HDADRO C[C@H](NC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)[C@@H]1CN(C)CCO1 ZINC000676243787 1075445166 /nfs/dbraw/zinc/44/51/66/1075445166.db2.gz XUEYWNNGXSVETF-JBACZVJFSA-N 1 0 403.571 1.384 20 0 HDADRO CCN(C(=O)[C@H](C)N1CCC(OCC[NH+](CC)CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000466720882 1075447853 /nfs/dbraw/zinc/44/78/53/1075447853.db2.gz SDCIVFVKDSLBNL-ZWKOTPCHSA-N 1 0 417.616 1.233 20 0 HDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000676231349 1075449515 /nfs/dbraw/zinc/44/95/15/1075449515.db2.gz FEGNYTCACBOOAI-KBPBESRZSA-N 1 0 403.458 1.871 20 0 HDADRO COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c(C)c1OC ZINC000510811029 1075456033 /nfs/dbraw/zinc/45/60/33/1075456033.db2.gz JQGDZIIJBKQNMH-AWEZNQCLSA-N 1 0 403.483 1.586 20 0 HDADRO COc1ccc([C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C2CC2)cc1 ZINC000427118048 1075457420 /nfs/dbraw/zinc/45/74/20/1075457420.db2.gz SFJDSTPFPRQLQD-HXUWFJFHSA-N 1 0 411.506 2.364 20 0 HDADRO CS(=O)(=O)CCN1CCC(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000731680699 1075464212 /nfs/dbraw/zinc/46/42/12/1075464212.db2.gz SOJUOFVNQHVRCI-UHFFFAOYSA-N 1 0 422.595 1.243 20 0 HDADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000731682474 1075464708 /nfs/dbraw/zinc/46/47/08/1075464708.db2.gz SPGBNWUGVQQNMW-HDICACEKSA-N 1 0 416.632 1.553 20 0 HDADRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000676247349 1075464980 /nfs/dbraw/zinc/46/49/80/1075464980.db2.gz HWAJVZFSFRANEV-SJORKVTESA-N 1 0 400.531 1.370 20 0 HDADRO Cc1ccc([C@H](CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)[NH+](C)C)cc1 ZINC000731683489 1075465494 /nfs/dbraw/zinc/46/54/94/1075465494.db2.gz BCXPSXINQHXZAT-IBGZPJMESA-N 1 0 410.584 1.406 20 0 HDADRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)C1 ZINC000547274433 1075471132 /nfs/dbraw/zinc/47/11/32/1075471132.db2.gz XVOXAJQMUMCCBT-CRAIPNDOSA-N 1 0 410.312 1.237 20 0 HDADRO Cc1conc1NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000481853478 1075484426 /nfs/dbraw/zinc/48/44/26/1075484426.db2.gz OECGGNXLCOCOTJ-SFHVURJKSA-N 1 0 412.490 1.967 20 0 HDADRO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)[C@H]3CN(C)CCO3)c2C1 ZINC000676280576 1075485895 /nfs/dbraw/zinc/48/58/95/1075485895.db2.gz JQEFMFREUBUMAX-GQIGUUNPSA-N 1 0 402.539 1.821 20 0 HDADRO COc1cccc(OCCCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000427086646 1075489995 /nfs/dbraw/zinc/48/99/95/1075489995.db2.gz KTPCJYBQSKGPJO-UHFFFAOYSA-N 1 0 415.494 1.682 20 0 HDADRO CC[NH+](CC)[C@H](CNC(=O)N1CCN(CC(=O)N(C)C)CC1)c1cccc(OC)c1 ZINC000676289229 1075491173 /nfs/dbraw/zinc/49/11/73/1075491173.db2.gz WUVJNNNJDGKPPS-HXUWFJFHSA-N 1 0 419.570 1.494 20 0 HDADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000711753906 1075491412 /nfs/dbraw/zinc/49/14/12/1075491412.db2.gz AELRACZNDQWOCR-PKOBYXMFSA-N 1 0 412.577 1.002 20 0 HDADRO Cc1nc(NCCC[NH+]2CCN(c3cccc(C)c3)CC2)sc1S(N)(=O)=O ZINC000578672302 1075494722 /nfs/dbraw/zinc/49/47/22/1075494722.db2.gz YDZCKWSKFDYILQ-UHFFFAOYSA-N 1 0 409.581 2.032 20 0 HDADRO C[C@@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H]1CN(C)CCO1 ZINC000676294972 1075498424 /nfs/dbraw/zinc/49/84/24/1075498424.db2.gz GWKTWACEAJFHJS-NLWGTHIKSA-N 1 0 404.555 1.905 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000676295554 1075498779 /nfs/dbraw/zinc/49/87/79/1075498779.db2.gz PYOPZAINKBZMAJ-QGZVFWFLSA-N 1 0 402.495 1.110 20 0 HDADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000676296118 1075498845 /nfs/dbraw/zinc/49/88/45/1075498845.db2.gz WOEQWFLUZRWVDY-SFHVURJKSA-N 1 0 401.555 1.627 20 0 HDADRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2nccc(N3CCOCC3)n2)CC1 ZINC000676307647 1075505594 /nfs/dbraw/zinc/50/55/94/1075505594.db2.gz YAZBZXVMXAABBP-UHFFFAOYSA-N 1 0 402.543 1.132 20 0 HDADRO C[C@H]1CCC[C@@](CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC000731757052 1075512936 /nfs/dbraw/zinc/51/29/36/1075512936.db2.gz SMMXCTGIPKCRCO-QFBILLFUSA-N 1 0 402.605 1.305 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)N[C@H]3CCN(c4ncccc4F)C3)CC2)CC1 ZINC000543670892 1075513610 /nfs/dbraw/zinc/51/36/10/1075513610.db2.gz UMXPSUCIQLOVAB-SFHVURJKSA-N 1 0 418.561 1.859 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCc2nc(C3CC3)no2)CC1 ZINC000731759222 1075514235 /nfs/dbraw/zinc/51/42/35/1075514235.db2.gz ODUGYYNYRQBGBA-UHFFFAOYSA-N 1 0 406.531 1.573 20 0 HDADRO COc1ccccc1[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427083751 1075516190 /nfs/dbraw/zinc/51/61/90/1075516190.db2.gz COUFEFMUPWFQNE-MRXNPFEDSA-N 1 0 411.506 2.113 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000731765426 1075518413 /nfs/dbraw/zinc/51/84/13/1075518413.db2.gz MQOBUUJYEJUVMW-LJQANCHMSA-N 1 0 421.501 1.299 20 0 HDADRO O=C(CNS(=O)(=O)c1ccc(Cl)s1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676344465 1075518731 /nfs/dbraw/zinc/51/87/31/1075518731.db2.gz MZQRJKQZBMDWAH-LBPRGKRZSA-N 1 0 407.945 1.049 20 0 HDADRO O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccnc1 ZINC000676345933 1075519147 /nfs/dbraw/zinc/51/91/47/1075519147.db2.gz XZQYJTXZTOLGGR-FCHUYYIVSA-N 1 0 422.529 1.792 20 0 HDADRO CCc1ccc([C@@H](CNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[NH+](C)C)cc1 ZINC000448533829 1075523509 /nfs/dbraw/zinc/52/35/09/1075523509.db2.gz ZJRCCJYINDJAIO-OAHLLOKOSA-N 1 0 411.428 2.365 20 0 HDADRO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000731843794 1075529607 /nfs/dbraw/zinc/52/96/07/1075529607.db2.gz YJOMVTUFFDMLMX-NVXWUHKLSA-N 1 0 400.527 1.697 20 0 HDADRO C[C@@H]([NH2+]C1(CNC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CCOCC1)c1ccccc1 ZINC000429430707 1075530591 /nfs/dbraw/zinc/53/05/91/1075530591.db2.gz BDLMOQONCJGKNE-SJLPKXTDSA-N 1 0 400.523 1.949 20 0 HDADRO C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CC(=O)N(C3CC3)C2)CCOCC1)c1ccccc1 ZINC000429430709 1075530602 /nfs/dbraw/zinc/53/06/02/1075530602.db2.gz BDLMOQONCJGKNE-WMZOPIPTSA-N 1 0 400.523 1.949 20 0 HDADRO C[NH+](C)[C@@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 ZINC000731847347 1075531051 /nfs/dbraw/zinc/53/10/51/1075531051.db2.gz HNAFLOGLXXQZTG-MRXNPFEDSA-N 1 0 407.540 1.122 20 0 HDADRO CCC[NH+]1CCC(N(C)CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)CC1 ZINC000731847174 1075531078 /nfs/dbraw/zinc/53/10/78/1075531078.db2.gz SHCIFINJZRGHID-JOCHJYFZSA-N 1 0 415.538 1.681 20 0 HDADRO C[C@@H](NC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1)C1CC[NH+](C)CC1 ZINC000676359150 1075532516 /nfs/dbraw/zinc/53/25/16/1075532516.db2.gz LJVHGOABMNZGIS-NVXWUHKLSA-N 1 0 414.506 1.423 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000676387142 1075534163 /nfs/dbraw/zinc/53/41/63/1075534163.db2.gz YZPZJXHACQGQCF-QZTJIDSGSA-N 1 0 412.600 1.137 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000676386599 1075534420 /nfs/dbraw/zinc/53/44/20/1075534420.db2.gz LEGCTFYXWQNOSE-HZPDHXFCSA-N 1 0 400.479 1.177 20 0 HDADRO C[C@@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCN1c1nccn2cnnc12 ZINC000676377865 1075537296 /nfs/dbraw/zinc/53/72/96/1075537296.db2.gz HERSZUJHJDYOLP-CQSZACIVSA-N 1 0 404.438 1.448 20 0 HDADRO CCc1nc2cc(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)ccc2n1C1CC1 ZINC000571228727 1075540160 /nfs/dbraw/zinc/54/01/60/1075540160.db2.gz PSSRPOXFICASIP-UHFFFAOYSA-N 1 0 423.521 1.947 20 0 HDADRO O=C(CCn1cc[nH]c(=O)c1=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000731838045 1075544705 /nfs/dbraw/zinc/54/47/05/1075544705.db2.gz SVEZMYDOVLVQQJ-QGZVFWFLSA-N 1 0 404.898 1.751 20 0 HDADRO CSC1(CNC(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CC[NH+](C)CC1 ZINC000582995148 1075547587 /nfs/dbraw/zinc/54/75/87/1075547587.db2.gz IOXDEBGKGCYOTD-UHFFFAOYSA-N 1 0 401.536 1.814 20 0 HDADRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)Nc2ccn(CC[NH+](C)C)n2)s1 ZINC000554466911 1075547609 /nfs/dbraw/zinc/54/76/09/1075547609.db2.gz VOYLTIOLFKLKQC-RYUDHWBXSA-N 1 0 408.532 1.643 20 0 HDADRO CSC1(CNC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)CC[NH+](C)CC1 ZINC000582153122 1075547670 /nfs/dbraw/zinc/54/76/70/1075547670.db2.gz CXGNJIAHEUXKFC-ZDUSSCGKSA-N 1 0 400.570 1.987 20 0 HDADRO CCC[NH+]1CCC(CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 ZINC000804147602 1075548194 /nfs/dbraw/zinc/54/81/94/1075548194.db2.gz JSZBHLKZMXEPIC-HXUWFJFHSA-N 1 0 407.536 1.979 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000731873755 1075549067 /nfs/dbraw/zinc/54/90/67/1075549067.db2.gz ZYPJRDXHBFZIQG-VXKWHMMOSA-N 1 0 424.545 1.886 20 0 HDADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000676419140 1075549103 /nfs/dbraw/zinc/54/91/03/1075549103.db2.gz RJWWKVJJSJTBLO-IBGZPJMESA-N 1 0 417.941 1.857 20 0 HDADRO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000543674037 1075550374 /nfs/dbraw/zinc/55/03/74/1075550374.db2.gz PIDHVMCZINMWJC-RTBURBONSA-N 1 0 407.603 1.693 20 0 HDADRO Cc1c(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cnn1-c1ccccc1 ZINC000676452587 1075558674 /nfs/dbraw/zinc/55/86/74/1075558674.db2.gz KBKQJNAGQQFOQJ-LJQANCHMSA-N 1 0 410.522 1.358 20 0 HDADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)cc2)CC1 ZINC000731904302 1075564014 /nfs/dbraw/zinc/56/40/14/1075564014.db2.gz PKXRJUFVNDTMMT-UHFFFAOYSA-N 1 0 404.474 1.975 20 0 HDADRO C[C@@H](CCNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)[N@H+](C)Cc1ccccc1 ZINC000429280640 1075567815 /nfs/dbraw/zinc/56/78/15/1075567815.db2.gz QMVPUGLEDCXFAH-HNNXBMFYSA-N 1 0 424.505 2.409 20 0 HDADRO CC(=O)Nc1cccc(NC(=S)NNC2=[NH+]CC3=CNN(C(C)(C)C)C3=N2)c1 ZINC000731948103 1075572861 /nfs/dbraw/zinc/57/28/61/1075572861.db2.gz 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HQMCPIHXRODWLO-OAHLLOKOSA-N 1 0 418.885 1.942 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000438701420 1075735833 /nfs/dbraw/zinc/73/58/33/1075735833.db2.gz OQLVCNIJNGOOEO-CQSZACIVSA-N 1 0 419.917 2.376 20 0 HDADRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509259126 1075737601 /nfs/dbraw/zinc/73/76/01/1075737601.db2.gz RRFSALFISABAAU-HOTGVXAUSA-N 1 0 414.597 1.932 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)c2n[nH]c3ccc(I)cc32)n1 ZINC000463636416 1075741066 /nfs/dbraw/zinc/74/10/66/1075741066.db2.gz SQGREZIHQSVOAX-UHFFFAOYSA-N 1 0 424.246 2.178 20 0 HDADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000484987984 1075741655 /nfs/dbraw/zinc/74/16/55/1075741655.db2.gz OKGWMCUWOJYYBC-UHFFFAOYSA-N 1 0 416.555 1.535 20 0 HDADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Nc2ccn(CC(F)(F)F)n2)cc1 ZINC000448307993 1075741810 /nfs/dbraw/zinc/74/18/10/1075741810.db2.gz ORYBWMKATBIUSM-CYBMUJFWSA-N 1 0 401.389 2.391 20 0 HDADRO CN(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000477091464 1075746269 /nfs/dbraw/zinc/74/62/69/1075746269.db2.gz RSZMGWNYEFBXAW-UHFFFAOYSA-N 1 0 405.524 1.581 20 0 HDADRO CC[NH+]1CCN(c2ccc(CNC(=O)N3CCCC[C@@H]3C3OCCO3)cn2)CC1 ZINC000732446189 1075746801 /nfs/dbraw/zinc/74/68/01/1075746801.db2.gz IILDVBWUKGVUOX-GOSISDBHSA-N 1 0 403.527 1.661 20 0 HDADRO CN(CCn1cccn1)C(=O)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000732485617 1075747928 /nfs/dbraw/zinc/74/79/28/1075747928.db2.gz FYIAUEDRKNJGRJ-UHFFFAOYSA-N 1 0 416.501 1.650 20 0 HDADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1 ZINC000584771648 1075749056 /nfs/dbraw/zinc/74/90/56/1075749056.db2.gz WCVFRKUZAYMYHN-HUUCEWRRSA-N 1 0 415.460 2.008 20 0 HDADRO C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000732459073 1075750044 /nfs/dbraw/zinc/75/00/44/1075750044.db2.gz NDASBRFCEGZKFV-JKSUJKDBSA-N 1 0 413.563 1.484 20 0 HDADRO 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ZINC000521417088 1075762366 /nfs/dbraw/zinc/76/23/66/1075762366.db2.gz UBCHOZABSHGBPU-CQSZACIVSA-N 1 0 407.522 1.819 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CCC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000487027222 1075762656 /nfs/dbraw/zinc/76/26/56/1075762656.db2.gz LXDRHUGOEOZYON-IBGZPJMESA-N 1 0 421.549 1.937 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1nc(C(F)(F)F)cs1 ZINC000427751711 1075764286 /nfs/dbraw/zinc/76/42/86/1075764286.db2.gz HNLNBRJRALPKGT-VIFPVBQESA-N 1 0 410.381 2.559 20 0 HDADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000433686475 1075766917 /nfs/dbraw/zinc/76/69/17/1075766917.db2.gz TXYSEOMVXHYADT-JOCHJYFZSA-N 1 0 421.505 1.978 20 0 HDADRO COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCCC[C@@H]1CN1CCCC1=O ZINC000732488315 1075775563 /nfs/dbraw/zinc/77/55/63/1075775563.db2.gz RWJTTZFMAGSQCM-QGZVFWFLSA-N 1 0 416.522 1.699 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1)C1CC1 ZINC000804223544 1075776023 /nfs/dbraw/zinc/77/60/23/1075776023.db2.gz FAOLYDRBZBLJJS-JQHSSLGASA-N 1 0 422.570 1.739 20 0 HDADRO CN1CCC(CNC(=O)C(=O)Nc2ccn(-c3ccccc3)n2)([NH+]2CCCCC2)CC1 ZINC000442445171 1075776857 /nfs/dbraw/zinc/77/68/57/1075776857.db2.gz MRGIYFNTLLUKSX-UHFFFAOYSA-N 1 0 424.549 1.877 20 0 HDADRO C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)Nc3ccn(-c4ccccc4)n3)cn2)CC1 ZINC000441899963 1075777792 /nfs/dbraw/zinc/77/77/92/1075777792.db2.gz QIVDZJFGYIHBRL-UHFFFAOYSA-N 1 0 420.473 2.318 20 0 HDADRO C[C@@H](NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H](O)c1ccc(F)cc1 ZINC000732489359 1075777877 /nfs/dbraw/zinc/77/78/77/1075777877.db2.gz ITANIDVFUAJLEZ-AUUYWEPGSA-N 1 0 403.454 1.943 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H](c3nccs3)c3ccccc3)n2)CC1 ZINC000426939615 1075780186 /nfs/dbraw/zinc/78/01/86/1075780186.db2.gz GVYNBIGTUXQEMD-GOSISDBHSA-N 1 0 424.530 2.451 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H](c3nccs3)c3ccccc3)n2)CC1 ZINC000426939616 1075780822 /nfs/dbraw/zinc/78/08/22/1075780822.db2.gz GVYNBIGTUXQEMD-SFHVURJKSA-N 1 0 424.530 2.451 20 0 HDADRO C[C@H](O)C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccccc1 ZINC000427550796 1075783089 /nfs/dbraw/zinc/78/30/89/1075783089.db2.gz UMHDPJGBNNJVQG-WMZOPIPTSA-N 1 0 413.522 1.759 20 0 HDADRO CN(C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732559233 1075785134 /nfs/dbraw/zinc/78/51/34/1075785134.db2.gz JHSANORPCVZHGD-IAGOWNOFSA-N 1 0 412.600 1.923 20 0 HDADRO CON(C)S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000732559218 1075785165 /nfs/dbraw/zinc/78/51/65/1075785165.db2.gz IYDUGUKZCDGNGI-GOSISDBHSA-N 1 0 424.567 1.109 20 0 HDADRO CN(C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732559234 1075785197 /nfs/dbraw/zinc/78/51/97/1075785197.db2.gz JHSANORPCVZHGD-IRXDYDNUSA-N 1 0 412.600 1.923 20 0 HDADRO CN(C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732559232 1075785318 /nfs/dbraw/zinc/78/53/18/1075785318.db2.gz JHSANORPCVZHGD-DLBZAZTESA-N 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CC(C)N(C)c1cnn([C@@H]2CCC[N@H+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)C2)c(=O)c1 ZINC000486823288 1075790418 /nfs/dbraw/zinc/79/04/18/1075790418.db2.gz KKLIVKYHNRITBZ-RCLSDMTESA-N 1 0 421.586 1.195 20 0 HDADRO C[NH+]1CCN(c2ccc(NC(=O)CCC(=O)N3CC(=O)Nc4ccccc43)cn2)CC1 ZINC000030031036 1075793325 /nfs/dbraw/zinc/79/33/25/1075793325.db2.gz GDASHZBWVAQDAM-UHFFFAOYSA-N 1 0 422.489 1.537 20 0 HDADRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000804238674 1075794069 /nfs/dbraw/zinc/79/40/69/1075794069.db2.gz IJOWYEVXWGVQBL-PBHCIXSXSA-N 1 0 424.586 1.985 20 0 HDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000804239178 1075794575 /nfs/dbraw/zinc/79/45/75/1075794575.db2.gz VQFNOIGZVSEEAX-XWTGJVNOSA-N 1 0 424.586 1.986 20 0 HDADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000438322473 1075795996 /nfs/dbraw/zinc/79/59/96/1075795996.db2.gz OETLQNPAPZTFFI-PMACEKPBSA-N 1 0 418.586 2.334 20 0 HDADRO 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CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000733359058 1076051703 /nfs/dbraw/zinc/05/17/03/1076051703.db2.gz XIRICDIMVDGBFC-YLJYHZDGSA-N 1 0 414.550 1.919 20 0 HDADRO O=C(NCCC[NH+]1CCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000053560155 1076058769 /nfs/dbraw/zinc/05/87/69/1076058769.db2.gz VKMHXCDDJYGJAX-UHFFFAOYSA-N 1 0 414.959 1.842 20 0 HDADRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC001082755540 1076063744 /nfs/dbraw/zinc/06/37/44/1076063744.db2.gz MAKXVKNGOVXUHJ-FGTAOJJYSA-N 1 0 403.548 1.637 20 0 HDADRO CC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000733424108 1076066273 /nfs/dbraw/zinc/06/62/73/1076066273.db2.gz TWSZLDSEDRTYCR-SFHVURJKSA-N 1 0 419.547 1.976 20 0 HDADRO C[NH+]1CCN(c2ccccc2NC(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000727160634 1076072185 /nfs/dbraw/zinc/07/21/85/1076072185.db2.gz HAYBRRHJTRORNP-UHFFFAOYSA-N 1 0 417.535 1.549 20 0 HDADRO Cc1ccc(C)c(C(=O)C(C(=S)NCCNS(C)(=O)=O)[n+]2ccccc2)c1 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Cc1ccc(N2C[C@@H](C(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)CC2=O)cc1 ZINC000727333706 1076094949 /nfs/dbraw/zinc/09/49/49/1076094949.db2.gz LQXKEGKXRTZKEM-FQEVSTJZSA-N 1 0 422.529 1.956 20 0 HDADRO COC(=O)N[C@H](C(=O)OCC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C(C)C ZINC000733555486 1076097811 /nfs/dbraw/zinc/09/78/11/1076097811.db2.gz QZOKUMVSTKBAAH-FQEVSTJZSA-N 1 0 419.522 1.953 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000727334273 1076098821 /nfs/dbraw/zinc/09/88/21/1076098821.db2.gz VYYBYQSJWKDMHM-SFHVURJKSA-N 1 0 418.538 1.994 20 0 HDADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000727401216 1076114391 /nfs/dbraw/zinc/11/43/91/1076114391.db2.gz JJNQOJJXBOVUEV-UHFFFAOYSA-N 1 0 418.519 1.280 20 0 HDADRO CCOC(=O)C1=C(CN2CC[C@H](C[NH+](C)C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000733614647 1076130235 /nfs/dbraw/zinc/13/02/35/1076130235.db2.gz SZFVUQMQRBSPCN-QRWLVFNGSA-N 1 0 416.522 1.750 20 0 HDADRO 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C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000730134218 1076460286 /nfs/dbraw/zinc/46/02/86/1076460286.db2.gz SPVRFESUYLMKHY-AWEZNQCLSA-N 1 0 408.934 1.034 20 0 HDADRO COc1ccccc1[C@H](NC(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1nccn1C ZINC000730115589 1076462279 /nfs/dbraw/zinc/46/22/79/1076462279.db2.gz LVJMJGAXYQRGRZ-APWZRJJASA-N 1 0 400.527 1.453 20 0 HDADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000730212893 1076478268 /nfs/dbraw/zinc/47/82/68/1076478268.db2.gz HYGSDFVRBUBAFY-INIZCTEOSA-N 1 0 405.470 1.570 20 0 HDADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000730217332 1076479691 /nfs/dbraw/zinc/47/96/91/1076479691.db2.gz JICGYLBVTMOADM-HNNXBMFYSA-N 1 0 407.486 1.911 20 0 HDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000730219283 1076481212 /nfs/dbraw/zinc/48/12/12/1076481212.db2.gz YIBSSCRUSBSSPD-WOJBJXKFSA-N 1 0 412.534 1.622 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)N/C=C1/c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000730203972 1076482340 /nfs/dbraw/zinc/48/23/40/1076482340.db2.gz ZVIIEKQIHPQKKP-SWEXZPIWSA-N 1 0 405.502 1.835 20 0 HDADRO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000730228093 1076485064 /nfs/dbraw/zinc/48/50/64/1076485064.db2.gz MSDUXEKRLVUWQK-BZUAXINKSA-N 1 0 418.538 1.664 20 0 HDADRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000730263442 1076505461 /nfs/dbraw/zinc/50/54/61/1076505461.db2.gz UDWSVLABYISFSM-CQSZACIVSA-N 1 0 412.512 1.262 20 0 HDADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000730285086 1076512944 /nfs/dbraw/zinc/51/29/44/1076512944.db2.gz HYFDWISMRNHXAL-UHFFFAOYSA-N 1 0 401.511 1.182 20 0 HDADRO Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000730286232 1076514637 /nfs/dbraw/zinc/51/46/37/1076514637.db2.gz HCNJFWJXBQEJOO-MRXNPFEDSA-N 1 0 402.568 1.684 20 0 HDADRO CN1CC[NH+](CC2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 ZINC000730291088 1076515662 /nfs/dbraw/zinc/51/56/62/1076515662.db2.gz TUEOSTFBDGEQDP-SFHVURJKSA-N 1 0 402.514 1.665 20 0 HDADRO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000730323496 1076540095 /nfs/dbraw/zinc/54/00/95/1076540095.db2.gz IVXNNQJKIJSGGD-ZGKREOHOSA-N 1 0 409.552 1.530 20 0 HDADRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000730391377 1076559360 /nfs/dbraw/zinc/55/93/60/1076559360.db2.gz NBKMXKQHVDYEAZ-MRXNPFEDSA-N 1 0 420.510 1.691 20 0 HDADRO C[C@H]1C[NH+](CCCNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)C[C@H](C)O1 ZINC000730385791 1076566089 /nfs/dbraw/zinc/56/60/89/1076566089.db2.gz YPXFWVZLBRTVEZ-GJZGRUSLSA-N 1 0 403.458 1.565 20 0 HDADRO COC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000730391042 1076571411 /nfs/dbraw/zinc/57/14/11/1076571411.db2.gz SNHZBZRXLGMBON-UHFFFAOYSA-N 1 0 416.522 1.615 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000730559713 1076595158 /nfs/dbraw/zinc/59/51/58/1076595158.db2.gz JQDYTVQVFRRLLY-IAGOWNOFSA-N 1 0 412.600 1.925 20 0 HDADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000730548247 1076598624 /nfs/dbraw/zinc/59/86/24/1076598624.db2.gz XROZAMZOFZSAIG-UHFFFAOYSA-N 1 0 420.510 1.865 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000730562967 1076603563 /nfs/dbraw/zinc/60/35/63/1076603563.db2.gz OLCUEOANHHTENX-CVEARBPZSA-N 1 0 420.476 1.778 20 0 HDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000730562968 1076603619 /nfs/dbraw/zinc/60/36/19/1076603619.db2.gz OLCUEOANHHTENX-HOTGVXAUSA-N 1 0 420.476 1.778 20 0 HDADRO COCC(=O)Nc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000730682203 1076632147 /nfs/dbraw/zinc/63/21/47/1076632147.db2.gz QPPVDXHRHDWEQX-UHFFFAOYSA-N 1 0 413.478 1.195 20 0 HDADRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)C1 ZINC000730787597 1076658025 /nfs/dbraw/zinc/65/80/25/1076658025.db2.gz NEVWNHYCJDQWSA-AWEZNQCLSA-N 1 0 417.959 1.819 20 0 HDADRO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC000730791156 1076659987 /nfs/dbraw/zinc/65/99/87/1076659987.db2.gz RCPOPNUWABEAQI-UHFFFAOYSA-N 1 0 417.959 1.867 20 0 HDADRO C[N@@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)C[C@H]1CCCOC1 ZINC000730808087 1076665898 /nfs/dbraw/zinc/66/58/98/1076665898.db2.gz BEKBKZNQGVVCNI-DYESRHJHSA-N 1 0 402.495 1.319 20 0 HDADRO COC1CC[NH+](C(C)(C)CNC(=O)Cc2c(C)[nH]c3nn(C)c(=O)c-3c2C)CC1 ZINC000730841596 1076670756 /nfs/dbraw/zinc/67/07/56/1076670756.db2.gz LJDZIUNZEZSQHR-UHFFFAOYSA-N 1 0 403.527 1.427 20 0 HDADRO NS(=O)(=O)c1ccc(CCN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000730937674 1076697527 /nfs/dbraw/zinc/69/75/27/1076697527.db2.gz BFUZSRPHCGOIAB-UHFFFAOYSA-N 1 0 409.474 1.463 20 0 HDADRO O=S(=O)(c1ccc(NC(=S)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1)N1CCOCC1 ZINC000730958643 1076701124 /nfs/dbraw/zinc/70/11/24/1076701124.db2.gz ZOMKFZQUKZYPLJ-QGZVFWFLSA-N 1 0 424.592 1.478 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3cnn(-c4ccccc4)n3)c2)C1 ZINC000730975078 1076702448 /nfs/dbraw/zinc/70/24/48/1076702448.db2.gz WBRLDZYTOUDMFT-LJQANCHMSA-N 1 0 418.501 1.895 20 0 HDADRO COC(=O)N[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1)C(C)C ZINC000731002879 1076708155 /nfs/dbraw/zinc/70/81/55/1076708155.db2.gz AMVSCDLDQKGDLD-SFHVURJKSA-N 1 0 412.575 1.841 20 0 HDADRO C[NH+]1CCN(CC2CCN(C(=O)c3sccc3S(=O)(=O)C(F)F)CC2)CC1 ZINC000731058546 1076720383 /nfs/dbraw/zinc/72/03/83/1076720383.db2.gz IVLKEYYXNYVSMV-UHFFFAOYSA-N 1 0 421.535 1.844 20 0 HDADRO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nnn1-c1ccc(OC(F)F)cc1 ZINC000731188698 1076742157 /nfs/dbraw/zinc/74/21/57/1076742157.db2.gz JFJSCEHKNXKMKE-GOEBONIOSA-N 1 0 407.421 1.770 20 0 HDADRO CCCC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000731214427 1076749335 /nfs/dbraw/zinc/74/93/35/1076749335.db2.gz NROFYNRJFGLCHR-VQCBNXJZSA-N 1 0 404.554 1.256 20 0 HDADRO NS(=O)(=O)c1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)co1 ZINC001473641212 1126198148 /nfs/dbraw/zinc/19/81/48/1126198148.db2.gz IVJRZPZIXICKMQ-MRXNPFEDSA-N 1 0 415.309 1.699 20 0 HDADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164401779 718838093 /nfs/dbraw/zinc/83/80/93/718838093.db2.gz AOSLESQMIGEJRY-KUHUBIRLSA-N 1 0 423.924 1.086 20 0 HDADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1C[C@@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001164401719 718852837 /nfs/dbraw/zinc/85/28/37/718852837.db2.gz CUXYCGDNTRGARH-NXXSPTCGSA-N 1 0 424.908 1.011 20 0 HDADRO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@@]1(F)N1CCOCC12C[NH2+]C2 ZINC001164406184 718860481 /nfs/dbraw/zinc/86/04/81/718860481.db2.gz TZLVVYUNYCPMKW-GOSISDBHSA-N 1 0 410.881 1.171 20 0 HDADRO FC(F)(c1ccc2ncnc(Cl)c2n1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164414994 718885132 /nfs/dbraw/zinc/88/51/32/718885132.db2.gz CZDPAMLBQMMKQX-UHFFFAOYSA-N 1 0 406.828 1.914 20 0 HDADRO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164424734 718918577 /nfs/dbraw/zinc/91/85/77/718918577.db2.gz PAYMMAIYKHGDIJ-HZPDHXFCSA-N 1 0 410.824 1.521 20 0 HDADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1[C@@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164618276 719018520 /nfs/dbraw/zinc/01/85/20/719018520.db2.gz RYOFLGPRQPQKNZ-IDYSPNNHSA-N 1 0 408.808 1.665 20 0 HDADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1 ZINC001164616185 719020234 /nfs/dbraw/zinc/02/02/34/719020234.db2.gz KNWDQXXDUHKZPA-ZMLRMANQSA-N 1 0 423.869 1.413 20 0 HDADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)cc4c3C(=O)NC4=O)CC2)CC1 ZINC001164618560 719031399 /nfs/dbraw/zinc/03/13/99/719031399.db2.gz YKUJKWLFYSUHNS-UHFFFAOYSA-N 1 0 400.479 1.518 20 0 HDADRO CN1CCc2nc(Cl)nc(N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)c2C1 ZINC001164641841 719267026 /nfs/dbraw/zinc/26/70/26/719267026.db2.gz WZWDRHRKTONGDM-UHFFFAOYSA-N 1 0 412.885 1.880 20 0 HDADRO C[N@@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)NCCSCc3ccco3)C[C@H]21 ZINC001164671500 719409586 /nfs/dbraw/zinc/40/95/86/719409586.db2.gz PSIJYTPCHXXACQ-QZTJIDSGSA-N 1 0 402.520 1.857 20 0 HDADRO CC(C)N(C)Cc1nn(-c2ncc3c(n2)N2CCC[C@@H]2C(=O)N3C)c2c1CC[NH2+]C2 ZINC001164683206 719622944 /nfs/dbraw/zinc/62/29/44/719622944.db2.gz RJMSOMZBJYOQJY-MRXNPFEDSA-N 1 0 410.526 1.093 20 0 HDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3[nH]c(C(=O)OC)cc31)CC2 ZINC001164686780 719729746 /nfs/dbraw/zinc/72/97/46/719729746.db2.gz SFYDITXFGKGGRK-UHFFFAOYSA-N 1 0 420.901 1.579 20 0 HDADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(/C=C\C(=O)OC)cc3cc[nH]c31)CC2 ZINC001164684739 719735462 /nfs/dbraw/zinc/73/54/62/719735462.db2.gz KGBZDPPBYKSHRM-PLNGDYQASA-N 1 0 411.506 1.930 20 0 HDADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164700988 719844434 /nfs/dbraw/zinc/84/44/34/719844434.db2.gz LLQLOLVSWQFMMC-YJYMSZOUSA-N 1 0 409.918 1.008 20 0 HDADRO COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1cccc(N2CCC([NH3+])CC2)n1 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CCC[N@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)CC(N)=O ZINC000429127675 1073709706 /nfs/dbraw/zinc/70/97/06/1073709706.db2.gz KXNCQIHNAICRTN-UHFFFAOYSA-N 1 0 404.920 1.116 20 0 HDADRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)C1 ZINC000429126028 1073713170 /nfs/dbraw/zinc/71/31/70/1073713170.db2.gz GYNTVJMGXYRFOF-GOSISDBHSA-N 1 0 404.511 1.780 20 0 HDADRO C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@@H]1OCCc2sccc21 ZINC000429133270 1073728383 /nfs/dbraw/zinc/72/83/83/1073728383.db2.gz NSVZUSMIXPWPEE-KUHUBIRLSA-N 1 0 403.504 1.918 20 0 HDADRO COC[C@]1(C)NC(=O)N(C[N@H+](CCCOc2ccccc2)C2CCOCC2)C1=O ZINC000766029511 1073732841 /nfs/dbraw/zinc/73/28/41/1073732841.db2.gz BCPCBRNRJJZPFB-NRFANRHFSA-N 1 0 405.495 1.851 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000429134467 1073737797 /nfs/dbraw/zinc/73/77/97/1073737797.db2.gz KFKJTJCDBGOXSW-DLBZAZTESA-N 1 0 411.572 1.123 20 0 HDADRO C[C@@H]1CN(C(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000509149965 1073745443 /nfs/dbraw/zinc/74/54/43/1073745443.db2.gz FAJXJGLLCIVFCV-NRSPTQNISA-N 1 0 416.566 1.101 20 0 HDADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)N[C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000429139300 1073748466 /nfs/dbraw/zinc/74/84/66/1073748466.db2.gz FBKXZPLQYPSLRP-LJQANCHMSA-N 1 0 414.550 1.883 20 0 HDADRO CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000673800834 1073748938 /nfs/dbraw/zinc/74/89/38/1073748938.db2.gz CHZZBRUJOPSZCH-CTNGQTDRSA-N 1 0 405.564 1.925 20 0 HDADRO CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000429137053 1073750325 /nfs/dbraw/zinc/75/03/25/1073750325.db2.gz AXPUVJHXHZFUGH-APWZRJJASA-N 1 0 408.568 1.620 20 0 HDADRO CCS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000429137060 1073750809 /nfs/dbraw/zinc/75/08/09/1073750809.db2.gz AXPUVJHXHZFUGH-QFBILLFUSA-N 1 0 408.568 1.620 20 0 HDADRO CCS(=O)(=O)N1CC(CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000429136880 1073751833 /nfs/dbraw/zinc/75/18/33/1073751833.db2.gz RUOCEAHPYCKGHA-UHFFFAOYSA-N 1 0 414.597 1.541 20 0 HDADRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766031314 1073753478 /nfs/dbraw/zinc/75/34/78/1073753478.db2.gz WOLYWRDTZTYEJI-CYBMUJFWSA-N 1 0 417.553 1.109 20 0 HDADRO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766033094 1073762391 /nfs/dbraw/zinc/76/23/91/1073762391.db2.gz YVVJFLPTWKEDCW-RDTXWAMCSA-N 1 0 412.533 1.796 20 0 HDADRO COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000429146547 1073777879 /nfs/dbraw/zinc/77/78/79/1073777879.db2.gz YCWCDYJULDSEMW-SFHVURJKSA-N 1 0 409.552 1.877 20 0 HDADRO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000057177707 1073796417 /nfs/dbraw/zinc/79/64/17/1073796417.db2.gz ZNSUFMXNZIRMNX-UHFFFAOYSA-N 1 0 419.570 1.570 20 0 HDADRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000543490728 1073800492 /nfs/dbraw/zinc/80/04/92/1073800492.db2.gz RGJYABPKXNDWAK-QAPCUYQASA-N 1 0 403.523 1.919 20 0 HDADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCCN3c3ncccn3)c2)CC1 ZINC000673831870 1073801441 /nfs/dbraw/zinc/80/14/41/1073801441.db2.gz DINXAOLILRLDBB-LJQANCHMSA-N 1 0 408.506 1.781 20 0 HDADRO COC(=O)c1cccc(CCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000509162959 1073808274 /nfs/dbraw/zinc/80/82/74/1073808274.db2.gz DMIIZYBYNPUSFZ-GOSISDBHSA-N 1 0 404.511 1.258 20 0 HDADRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@H](CC(N)=O)C2CCOCC2)c1 ZINC000543494369 1073824428 /nfs/dbraw/zinc/82/44/28/1073824428.db2.gz GAXXFKZHWAYNQE-RTBURBONSA-N 1 0 419.522 1.628 20 0 HDADRO CN(C(=O)CN1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1)C1CCCCC1 ZINC000673865274 1073831707 /nfs/dbraw/zinc/83/17/07/1073831707.db2.gz LBZBAFIGMQKPSJ-UHFFFAOYSA-N 1 0 419.574 1.385 20 0 HDADRO C[C@@H]1CN(c2ccc(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)cn2)C[C@H](C)O1 ZINC000673869704 1073833915 /nfs/dbraw/zinc/83/39/15/1073833915.db2.gz UJDWUFBZSADREF-IYBDPMFKSA-N 1 0 401.515 1.775 20 0 HDADRO CN(Cc1ccccc1)C(=O)N1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673870626 1073834965 /nfs/dbraw/zinc/83/49/65/1073834965.db2.gz CMNMQLWZDQRHFP-UHFFFAOYSA-N 1 0 413.526 1.846 20 0 HDADRO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)C1 ZINC000673871087 1073836728 /nfs/dbraw/zinc/83/67/28/1073836728.db2.gz HRGNKYGLMHPBBU-QZTJIDSGSA-N 1 0 419.574 1.289 20 0 HDADRO CCO[C@H](C)c1noc(CN(C)C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)n1 ZINC000673873234 1073840042 /nfs/dbraw/zinc/84/00/42/1073840042.db2.gz ZRGPFURYZFTWFY-GFCCVEGCSA-N 1 0 404.471 1.992 20 0 HDADRO Cc1ccc([C@@H](CNC(=O)Nc2cnn(CC[NH+](C)C)c2)N2CCOCC2)cc1 ZINC000673867523 1073845121 /nfs/dbraw/zinc/84/51/21/1073845121.db2.gz OMYBTCSSOFVOPZ-HXUWFJFHSA-N 1 0 400.527 1.948 20 0 HDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)CC1 ZINC000673887618 1073847012 /nfs/dbraw/zinc/84/70/12/1073847012.db2.gz ZGRYUVRUUNFSJX-UHFFFAOYSA-N 1 0 416.856 1.473 20 0 HDADRO NC(=O)C[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)C1CCOCC1 ZINC000543498411 1073858037 /nfs/dbraw/zinc/85/80/37/1073858037.db2.gz ZXNRUSXFJFGQBC-HOCLYGCPSA-N 1 0 401.301 1.449 20 0 HDADRO COc1ccc([C@@H]2CCCN2C(=O)CN2CC[NH+](C(C)(C)CO)CC2)cc1OC ZINC000673896554 1073866567 /nfs/dbraw/zinc/86/65/67/1073866567.db2.gz WPWXVVMMNPUCDV-SFHVURJKSA-N 1 0 405.539 1.756 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)CC1=O ZINC001299288679 1073875305 /nfs/dbraw/zinc/87/53/05/1073875305.db2.gz ATCKTHSGMMXPRY-IDHHARJASA-N 1 0 400.479 1.183 20 0 HDADRO CC(C)OCCS(=O)(=O)NCC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000673908194 1073876631 /nfs/dbraw/zinc/87/66/31/1073876631.db2.gz OVYYIKMDLOHIOT-SFHVURJKSA-N 1 0 411.568 1.454 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3csc(-c4ccco4)n3)CC2)C1 ZINC000673928196 1073898089 /nfs/dbraw/zinc/89/80/89/1073898089.db2.gz FSTXAEIPSONDQJ-INIZCTEOSA-N 1 0 417.535 1.258 20 0 HDADRO C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000543507331 1073899032 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ZINC000670485197 1074577048 /nfs/dbraw/zinc/57/70/48/1074577048.db2.gz YKZFVHZTZYPOSJ-UHFFFAOYSA-N 1 0 406.958 1.973 20 0 HDADRO CCn1c(CNC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)nc2ccccc21 ZINC000785474635 1074588041 /nfs/dbraw/zinc/58/80/41/1074588041.db2.gz RCCAGBKBRYAYOX-IBGZPJMESA-N 1 0 414.554 1.061 20 0 HDADRO CC[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674872207 1074593157 /nfs/dbraw/zinc/59/31/57/1074593157.db2.gz MYWPIVFTHFWLRZ-RTWAWAEBSA-N 1 0 415.582 1.833 20 0 HDADRO Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000674876139 1074598966 /nfs/dbraw/zinc/59/89/66/1074598966.db2.gz BWRHLTWJSVBFLD-KRWDZBQOSA-N 1 0 405.524 1.042 20 0 HDADRO CC[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)[C@@H](C)C1 ZINC000674898643 1074606151 /nfs/dbraw/zinc/60/61/51/1074606151.db2.gz RZZCSFRBUGCBBL-LIRRHRJNSA-N 1 0 410.474 1.973 20 0 HDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCO[C@@H]([C@@H]4CCCO4)C3)CC2)cc1 ZINC000674913851 1074612107 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QSOLTAMGSRTYRZ-HBMCJLEFSA-N 1 0 402.539 1.565 20 0 HDADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000674916897 1074627556 /nfs/dbraw/zinc/62/75/56/1074627556.db2.gz GXAMURUBFUDOHN-VXKWHMMOSA-N 1 0 416.566 1.784 20 0 HDADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000674979516 1074652215 /nfs/dbraw/zinc/65/22/15/1074652215.db2.gz AQFGOOQXDWIRIB-NHCUHLMSSA-N 1 0 403.523 1.733 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000674985703 1074660094 /nfs/dbraw/zinc/66/00/94/1074660094.db2.gz IUNDJJJDIRUMGN-QZTJIDSGSA-N 1 0 410.559 1.203 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccc4c(c3)NC(=O)CCN4C)CC2)CC1 ZINC000543609994 1074661593 /nfs/dbraw/zinc/66/15/93/1074661593.db2.gz SGSPOYZNJJWKHT-UHFFFAOYSA-N 1 0 413.566 1.955 20 0 HDADRO COC1CC[NH+](CCNC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000674996951 1074673999 /nfs/dbraw/zinc/67/39/99/1074673999.db2.gz NTBOBOOGMISVDI-IBGZPJMESA-N 1 0 402.539 1.630 20 0 HDADRO 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ZINC000675090532 1074713363 /nfs/dbraw/zinc/71/33/63/1074713363.db2.gz ZENPHXKJWJVMDS-UHFFFAOYSA-N 1 0 407.486 1.552 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)CC1 ZINC000675090444 1074713558 /nfs/dbraw/zinc/71/35/58/1074713558.db2.gz GOCUJBTUVAGWST-QGZVFWFLSA-N 1 0 405.539 1.787 20 0 HDADRO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(O)c1 ZINC000429317477 1074714924 /nfs/dbraw/zinc/71/49/24/1074714924.db2.gz KOJDXKMTYHAQCF-OAHLLOKOSA-N 1 0 419.503 1.702 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000804218242 1074718970 /nfs/dbraw/zinc/71/89/70/1074718970.db2.gz QTGDUHIXESWDAP-FJIDUMEYSA-N 1 0 424.586 1.985 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)CCN2C1=O ZINC000675102156 1074719327 /nfs/dbraw/zinc/71/93/27/1074719327.db2.gz PQABKHJYTDITAZ-WBVHZDCISA-N 1 0 401.511 1.794 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+](C)C)CCN2C1=O ZINC000675107552 1074722561 /nfs/dbraw/zinc/72/25/61/1074722561.db2.gz SXXFLJPICUZXLO-HZPDHXFCSA-N 1 0 407.902 1.621 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000477029591 1074722888 /nfs/dbraw/zinc/72/28/88/1074722888.db2.gz BXVZSHLVTHDDPS-KRWDZBQOSA-N 1 0 402.539 1.596 20 0 HDADRO O=C(NCCCNc1ccc(C(F)(F)F)cn1)NCC1CC[NH+](CCO)CC1 ZINC000476294327 1074732905 /nfs/dbraw/zinc/73/29/05/1074732905.db2.gz GGUAMFJUUNQYLF-UHFFFAOYSA-N 1 0 403.449 1.906 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(C)cc3OCC[NH+](C)C)CCN2C1=O ZINC000675141710 1074741268 /nfs/dbraw/zinc/74/12/68/1074741268.db2.gz LNFKXYXEKIDXLH-MRXNPFEDSA-N 1 0 403.483 1.436 20 0 HDADRO COc1ccc(-c2cncc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)c2)cc1 ZINC000675141371 1074741315 /nfs/dbraw/zinc/74/13/15/1074741315.db2.gz RAKMLMZPBAMFNN-NRFANRHFSA-N 1 0 410.518 1.894 20 0 HDADRO COC(=O)C[C@@](C)(NC(=O)Nc1ccn(CC[NH+](C)C)n1)c1cccc(OC)c1 ZINC000584521666 1074741394 /nfs/dbraw/zinc/74/13/94/1074741394.db2.gz MMOQTRZYSMNGPG-HXUWFJFHSA-N 1 0 403.483 2.053 20 0 HDADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000501647492 1074746939 /nfs/dbraw/zinc/74/69/39/1074746939.db2.gz XCIBVJFKUIVDSC-VQIMIIECSA-N 1 0 401.507 1.114 20 0 HDADRO O=C1c2ccc(Br)cc2C(=O)N1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000766094028 1074750634 /nfs/dbraw/zinc/75/06/34/1074750634.db2.gz PKCKCEKJPQGHLZ-ZDUSSCGKSA-N 1 0 408.296 1.657 20 0 HDADRO C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675189832 1074752005 /nfs/dbraw/zinc/75/20/05/1074752005.db2.gz DCECIUAHWLMGNH-NVXWUHKLSA-N 1 0 408.493 2.000 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000675194057 1074753639 /nfs/dbraw/zinc/75/36/39/1074753639.db2.gz JISWMUPUSSBAHT-FQEVSTJZSA-N 1 0 413.566 1.777 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nn1C1CCCCC1 ZINC000567285751 1074754382 /nfs/dbraw/zinc/75/43/82/1074754382.db2.gz JHBJZSMSDIKDMQ-GOSISDBHSA-N 1 0 405.543 2.108 20 0 HDADRO 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O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000675290385 1074782572 /nfs/dbraw/zinc/78/25/72/1074782572.db2.gz MEYYLIKXVNMAQA-MOPGFXCFSA-N 1 0 416.497 1.130 20 0 HDADRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccn(CCN2CCOCC2)n1 ZINC000436354288 1074784156 /nfs/dbraw/zinc/78/41/56/1074784156.db2.gz BSPBXZXMYFQQSD-IBGZPJMESA-N 1 0 404.559 2.134 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1(c2ccc(OC)cc2)CCOCC1 ZINC000477081396 1074788535 /nfs/dbraw/zinc/78/85/35/1074788535.db2.gz LRNVDFCQZCJJCI-KRWDZBQOSA-N 1 0 405.539 1.706 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000477092734 1074791464 /nfs/dbraw/zinc/79/14/64/1074791464.db2.gz CSKZOFFIIKCUOY-QFBILLFUSA-N 1 0 424.973 1.676 20 0 HDADRO COC(=O)c1c(CC(C)C)csc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000574089098 1074796262 /nfs/dbraw/zinc/79/62/62/1074796262.db2.gz IRWDRTMPAJOGBI-UHFFFAOYSA-N 1 0 421.523 2.069 20 0 HDADRO COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 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420.901 1.815 20 0 HDADRO C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000675412977 1075137493 /nfs/dbraw/zinc/13/74/93/1075137493.db2.gz ZQIBKITWSLRGLY-QZTJIDSGSA-N 1 0 418.538 1.183 20 0 HDADRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000675433367 1075142720 /nfs/dbraw/zinc/14/27/20/1075142720.db2.gz NKFUQLXMVDYVJI-DYVFJYSZSA-N 1 0 422.888 1.301 20 0 HDADRO O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675433509 1075144365 /nfs/dbraw/zinc/14/43/65/1075144365.db2.gz UQTHVIKLYVZHFE-IIYDPXPESA-N 1 0 422.888 1.444 20 0 HDADRO CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@H](c3ccco3)N(C)C)CC2)CC1 ZINC000670526030 1075149332 /nfs/dbraw/zinc/14/93/32/1075149332.db2.gz QSZCEOCTBIKKOS-LJQANCHMSA-N 1 0 419.570 1.016 20 0 HDADRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1(CC)CC ZINC000429347577 1075154214 /nfs/dbraw/zinc/15/42/14/1075154214.db2.gz WRFVZROIVOZPGL-IRXDYDNUSA-N 1 0 413.540 1.855 20 0 HDADRO 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424.339 1.939 20 0 HDADRO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675539030 1075195941 /nfs/dbraw/zinc/19/59/41/1075195941.db2.gz RTCMQVFRAPMICC-IBGZPJMESA-N 1 0 412.538 1.808 20 0 HDADRO COc1ccc(-n2cnnc2SCC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000675541043 1075196930 /nfs/dbraw/zinc/19/69/30/1075196930.db2.gz OGDKXBBUSNPDBZ-QGZVFWFLSA-N 1 0 417.535 1.738 20 0 HDADRO Cc1cc(NC(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)nn1[C@H](C)C1CC1 ZINC000543322889 1075199691 /nfs/dbraw/zinc/19/96/91/1075199691.db2.gz GHSDZHAFLYIFDB-CQSZACIVSA-N 1 0 402.503 1.681 20 0 HDADRO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)cc1 ZINC000448533478 1075203479 /nfs/dbraw/zinc/20/34/79/1075203479.db2.gz WGPXWTQWHQHICP-UHFFFAOYSA-N 1 0 411.428 2.542 20 0 HDADRO COCCn1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000444494526 1075206786 /nfs/dbraw/zinc/20/67/86/1075206786.db2.gz AXBQRHVDRRGCDP-LJQANCHMSA-N 1 0 413.522 1.667 20 0 HDADRO CC(C)[N@H+](CCO)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000675570798 1075208321 /nfs/dbraw/zinc/20/83/21/1075208321.db2.gz CTZAAKVUWLXCPB-HOTGVXAUSA-N 1 0 413.540 1.126 20 0 HDADRO COc1ncc(NC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)cc1C(N)=O ZINC000675571785 1075208705 /nfs/dbraw/zinc/20/87/05/1075208705.db2.gz PHFZZIITKBAFSL-UHFFFAOYSA-N 1 0 421.461 1.318 20 0 HDADRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1 ZINC000483955591 1075210224 /nfs/dbraw/zinc/21/02/24/1075210224.db2.gz ZJHPNJZYXMTLQY-MRXNPFEDSA-N 1 0 404.902 1.861 20 0 HDADRO CN(C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675576855 1075210321 /nfs/dbraw/zinc/21/03/21/1075210321.db2.gz TUFVSCLZOFCBMS-HMFYCAOWSA-N 1 0 413.522 1.623 20 0 HDADRO Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)no1 ZINC000610109459 1075211910 /nfs/dbraw/zinc/21/19/10/1075211910.db2.gz BBRFOSQJAKTAAZ-GFCCVEGCSA-N 1 0 419.507 1.842 20 0 HDADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429363016 1075218593 /nfs/dbraw/zinc/21/85/93/1075218593.db2.gz CIGUGJUHZVDTDV-CVEARBPZSA-N 1 0 420.579 1.418 20 0 HDADRO CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675605460 1075221238 /nfs/dbraw/zinc/22/12/38/1075221238.db2.gz MJBVEDAFZSSLSC-AZUAARDMSA-N 1 0 414.550 1.624 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C[N@@H+]1Cc1ccccc1 ZINC000466689130 1075221876 /nfs/dbraw/zinc/22/18/76/1075221876.db2.gz KJVSBIHNEAXESC-CRAIPNDOSA-N 1 0 405.462 1.380 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)C[N@@H+]1Cc1ccccc1 ZINC000466689131 1075222045 /nfs/dbraw/zinc/22/20/45/1075222045.db2.gz KJVSBIHNEAXESC-MAUKXSAKSA-N 1 0 405.462 1.380 20 0 HDADRO COc1ccc(Br)c(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000675608746 1075222755 /nfs/dbraw/zinc/22/27/55/1075222755.db2.gz VAQIWBLHIJVDNL-UHFFFAOYSA-N 1 0 410.272 1.793 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cn1 ZINC000675607345 1075223037 /nfs/dbraw/zinc/22/30/37/1075223037.db2.gz GIOAHYATTAJTIE-UHFFFAOYSA-N 1 0 400.483 1.550 20 0 HDADRO Cc1c(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cccc1C(=O)N1CCCC1 ZINC000675607539 1075224059 /nfs/dbraw/zinc/22/40/59/1075224059.db2.gz JIENOEODYUDUID-UHFFFAOYSA-N 1 0 412.494 1.566 20 0 HDADRO COCc1c(Br)cccc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000675608479 1075224354 /nfs/dbraw/zinc/22/43/54/1075224354.db2.gz ZZGWAGDFPNYOTL-UHFFFAOYSA-N 1 0 424.299 1.931 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cn1 ZINC000675608172 1075224786 /nfs/dbraw/zinc/22/47/86/1075224786.db2.gz UQPFUABVSKNYJE-UHFFFAOYSA-N 1 0 408.466 1.684 20 0 HDADRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)CC1 ZINC000446750086 1075224905 /nfs/dbraw/zinc/22/49/05/1075224905.db2.gz DSFLRFFKAWHJBR-UHFFFAOYSA-N 1 0 402.474 1.892 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cn1 ZINC000675607707 1075225074 /nfs/dbraw/zinc/22/50/74/1075225074.db2.gz NRXDKBURFBHLEM-SFHVURJKSA-N 1 0 401.467 1.580 20 0 HDADRO C[C@@H](c1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1)N1CCOCC1 ZINC000675608776 1075225835 /nfs/dbraw/zinc/22/58/35/1075225835.db2.gz WDKGSHFDYBETJD-INIZCTEOSA-N 1 0 414.510 1.415 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)Nc3cnn(CC(=O)NC4CC4)c3)CC2)CC1 ZINC000543638330 1075225903 /nfs/dbraw/zinc/22/59/03/1075225903.db2.gz XNSOAAKIRDORNM-UHFFFAOYSA-N 1 0 417.558 1.043 20 0 HDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000483952780 1075227192 /nfs/dbraw/zinc/22/71/92/1075227192.db2.gz HVUZCLFNPGQVGV-INIZCTEOSA-N 1 0 404.902 1.909 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cc4n(n3)CCCC4)cc2)CC1 ZINC000497872000 1075232593 /nfs/dbraw/zinc/23/25/93/1075232593.db2.gz BDHVTEDKZVUHMA-UHFFFAOYSA-N 1 0 424.549 1.612 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000675595217 1075232755 /nfs/dbraw/zinc/23/27/55/1075232755.db2.gz KLPGOADGSUNPEH-VQTJNVASSA-N 1 0 411.506 1.734 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)Nc3cc4n(n3)CCCC4)cc2)CC1 ZINC000508779024 1075232863 /nfs/dbraw/zinc/23/28/63/1075232863.db2.gz OGHZWHRHZBEYNF-UHFFFAOYSA-N 1 0 410.522 1.934 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc(F)cc1 ZINC000675594969 1075233043 /nfs/dbraw/zinc/23/30/43/1075233043.db2.gz RWZKYTZTBVAYTC-ROUUACIJSA-N 1 0 403.458 1.559 20 0 HDADRO CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 ZINC000675594973 1075233400 /nfs/dbraw/zinc/23/34/00/1075233400.db2.gz RXSHONBFEJBXPA-IBGZPJMESA-N 1 0 405.543 1.971 20 0 HDADRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)[C@@H](C)C1 ZINC000441046133 1075236260 /nfs/dbraw/zinc/23/62/60/1075236260.db2.gz ACYVVFKYEGVTRN-QFBILLFUSA-N 1 0 413.522 2.067 20 0 HDADRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C[C@@H]1C ZINC000443375017 1075237304 /nfs/dbraw/zinc/23/73/04/1075237304.db2.gz QUUVMNASJZUIJB-YOEHRIQHSA-N 1 0 418.929 2.250 20 0 HDADRO C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000675621865 1075242120 /nfs/dbraw/zinc/24/21/20/1075242120.db2.gz QCFAAXKJNYPASE-WCQYABFASA-N 1 0 400.292 1.846 20 0 HDADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)n1 ZINC000437253206 1075243332 /nfs/dbraw/zinc/24/33/32/1075243332.db2.gz SPZSZZYPQWAFMX-HNNXBMFYSA-N 1 0 405.474 1.759 20 0 HDADRO COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n1 ZINC000443842693 1075247049 /nfs/dbraw/zinc/24/70/49/1075247049.db2.gz MWAONOFJEDJSII-BXWFABGCSA-N 1 0 401.511 2.145 20 0 HDADRO Cc1cc2cc(NC(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)ccc2n(C)c1=O ZINC000551625818 1075260627 /nfs/dbraw/zinc/26/06/27/1075260627.db2.gz BZQDTZCXCDRMIR-UHFFFAOYSA-N 1 0 422.489 1.887 20 0 HDADRO CC[C@]1(C(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)CCNC1=O ZINC001129044674 1075262165 /nfs/dbraw/zinc/26/21/65/1075262165.db2.gz DDAUIIMDDVZXSW-QHCPKHFHSA-N 1 0 414.550 1.390 20 0 HDADRO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675730181 1075263779 /nfs/dbraw/zinc/26/37/79/1075263779.db2.gz TXXCRSDQOJLEND-UHFFFAOYSA-N 1 0 408.506 1.254 20 0 HDADRO CS(=O)(=O)N1CCC([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000675740803 1075266747 /nfs/dbraw/zinc/26/67/47/1075266747.db2.gz UYTCNRQBDAHFSH-SFHVURJKSA-N 1 0 401.960 1.727 20 0 HDADRO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000675771493 1075268792 /nfs/dbraw/zinc/26/87/92/1075268792.db2.gz UFAIYWALOBUMHD-UHFFFAOYSA-N 1 0 403.570 1.028 20 0 HDADRO O=C(CCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCN(c2ccccc2)CC1 ZINC000675786139 1075271549 /nfs/dbraw/zinc/27/15/49/1075271549.db2.gz MDMILESPBKZSRN-SFTDATJTSA-N 1 0 414.550 1.173 20 0 HDADRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCN(C4CCCCC4)C3=O)cn2)CC1 ZINC000675805741 1075273945 /nfs/dbraw/zinc/27/39/45/1075273945.db2.gz HSCDSCOKDKSENT-IBGZPJMESA-N 1 0 414.554 1.566 20 0 HDADRO C[C@H]1CN(C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001129068634 1075274837 /nfs/dbraw/zinc/27/48/37/1075274837.db2.gz PPZWFYOCMQPNBC-MRXNPFEDSA-N 1 0 417.535 1.111 20 0 HDADRO C[C@@H](CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C[NH+]1CCN(C)CC1 ZINC000429381810 1075276144 /nfs/dbraw/zinc/27/61/44/1075276144.db2.gz BICJXCCFMJLYMO-YJBOKZPZSA-N 1 0 407.946 1.628 20 0 HDADRO Cc1c([C@@H](C)[NH2+]CCN2CCN(S(C)(=O)=O)CC2)nnn1-c1ccc(C)cc1 ZINC000675817044 1075276453 /nfs/dbraw/zinc/27/64/53/1075276453.db2.gz LVWMBBAWNFWDDU-MRXNPFEDSA-N 1 0 406.556 1.112 20 0 HDADRO COc1c(C)cc(CN(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1C ZINC000426935913 1075276474 /nfs/dbraw/zinc/27/64/74/1075276474.db2.gz XGMMHSMVAGXGJE-UHFFFAOYSA-N 1 0 413.522 2.372 20 0 HDADRO CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1 ZINC001129073493 1075278332 /nfs/dbraw/zinc/27/83/32/1075278332.db2.gz GSFXNVAQWXJTLT-HOJAQTOUSA-N 1 0 419.547 1.595 20 0 HDADRO COc1c(Cl)cc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1Cl ZINC000551179863 1075283105 /nfs/dbraw/zinc/28/31/05/1075283105.db2.gz MZQXNAAFTNHMCR-UHFFFAOYSA-N 1 0 400.266 2.337 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000466705512 1075285106 /nfs/dbraw/zinc/28/51/06/1075285106.db2.gz OBNDKZMTSZGPSP-AEFFLSMTSA-N 1 0 424.501 1.659 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000466705514 1075285208 /nfs/dbraw/zinc/28/52/08/1075285208.db2.gz OBNDKZMTSZGPSP-SJLPKXTDSA-N 1 0 424.501 1.659 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000675893955 1075287739 /nfs/dbraw/zinc/28/77/39/1075287739.db2.gz ZGFDTFQFJPEVRS-QGZVFWFLSA-N 1 0 401.511 1.902 20 0 HDADRO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000551180392 1075293560 /nfs/dbraw/zinc/29/35/60/1075293560.db2.gz PKDBHKHJHKQQEG-UHFFFAOYSA-N 1 0 421.523 2.131 20 0 HDADRO Cc1ccc(NC(=O)C(=O)Nc2ccn(C(C)C)n2)cc1NC(=O)CC[NH+](C)C ZINC000567411021 1075295505 /nfs/dbraw/zinc/29/55/05/1075295505.db2.gz SXFCKDIBGGIRNX-UHFFFAOYSA-N 1 0 400.483 2.240 20 0 HDADRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000550800068 1075296725 /nfs/dbraw/zinc/29/67/25/1075296725.db2.gz KEHZQAQGSPXBOI-UHFFFAOYSA-N 1 0 414.510 2.315 20 0 HDADRO Cc1ccc(NC(=O)Nc2ccn(CC[NH+](C)C)n2)cc1C(=O)N1CCOCC1 ZINC000489240175 1075298900 /nfs/dbraw/zinc/29/89/00/1075298900.db2.gz LRALYHKCYDMCOQ-UHFFFAOYSA-N 1 0 400.483 1.870 20 0 HDADRO COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)[C@H]1C(C)C ZINC000429386153 1075306421 /nfs/dbraw/zinc/30/64/21/1075306421.db2.gz WMUSRTRXKSMTDA-UWVAXJGDSA-N 1 0 403.523 1.949 20 0 HDADRO C[C@H]1CN(C(=O)NC2CCN(c3nccs3)CC2)CCN1C1CC[NH+](C)CC1 ZINC000466708117 1075314775 /nfs/dbraw/zinc/31/47/75/1075314775.db2.gz PQIPAYWDRZKINH-INIZCTEOSA-N 1 0 406.600 1.922 20 0 HDADRO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(n2cccn2)CC1 ZINC000731355283 1075319289 /nfs/dbraw/zinc/31/92/89/1075319289.db2.gz PQZCRHZVHMTPRA-LSDHHAIUSA-N 1 0 405.524 1.433 20 0 HDADRO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000675994885 1075319223 /nfs/dbraw/zinc/31/92/23/1075319223.db2.gz LCHJMPBDLDQYGA-JZXOWHBKSA-N 1 0 402.605 1.855 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000675997057 1075320622 /nfs/dbraw/zinc/32/06/22/1075320622.db2.gz WUPFRMCTCDIMKQ-KRWDZBQOSA-N 1 0 424.567 1.586 20 0 HDADRO CO[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1Cl ZINC000676004184 1075322301 /nfs/dbraw/zinc/32/23/01/1075322301.db2.gz RMAZOKXARBQCKD-MSOLQXFVSA-N 1 0 408.930 1.976 20 0 HDADRO Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000676017649 1075325358 /nfs/dbraw/zinc/32/53/58/1075325358.db2.gz VJNZQGWQVKXNCZ-HZPDHXFCSA-N 1 0 404.902 1.551 20 0 HDADRO COc1cc2c(cc1F)CN(C(=O)C(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)CC2 ZINC000427304029 1075340637 /nfs/dbraw/zinc/34/06/37/1075340637.db2.gz GKJHQWCYQGNCKO-UHFFFAOYSA-N 1 0 415.469 1.821 20 0 HDADRO COC(=O)[C@H]1CC[N@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)[C@H]1C(C)C ZINC000429393361 1075345908 /nfs/dbraw/zinc/34/59/08/1075345908.db2.gz JWMSEZGFEUEBAY-ICSRJNTNSA-N 1 0 401.507 1.715 20 0 HDADRO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)Nc2ccn(CC(N)=O)n2)c1 ZINC000584851951 1075350371 /nfs/dbraw/zinc/35/03/71/1075350371.db2.gz FDKGMGOAWSWEMS-RTWAWAEBSA-N 1 0 417.513 2.531 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cn1 ZINC000676094405 1075356109 /nfs/dbraw/zinc/35/61/09/1075356109.db2.gz WTXMCMUJQXUHGE-KRWDZBQOSA-N 1 0 413.478 1.518 20 0 HDADRO CCN(Cc1ccc(OC)cc1OC)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676094174 1075357001 /nfs/dbraw/zinc/35/70/01/1075357001.db2.gz SLUDYIBJEVJIHJ-UHFFFAOYSA-N 1 0 403.483 1.449 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(c3cccc(F)c3F)CC2)cn1 ZINC000676095921 1075357062 /nfs/dbraw/zinc/35/70/62/1075357062.db2.gz FXPCQTHECAKFPY-UHFFFAOYSA-N 1 0 406.437 1.010 20 0 HDADRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)C2CCN(c3ccc4nncn4n3)CC2)C1 ZINC000731465672 1075357332 /nfs/dbraw/zinc/35/73/32/1075357332.db2.gz KZUIMGURPSTBEZ-SFHVURJKSA-N 1 0 405.506 1.860 20 0 HDADRO CCN1C(=O)c2ccc(C(=O)N3C[C@H]([NH+](C)C)Cc4ccccc43)cc2S1(=O)=O ZINC000731467559 1075358129 /nfs/dbraw/zinc/35/81/29/1075358129.db2.gz MNXAGMWDWJCWBX-MRXNPFEDSA-N 1 0 413.499 1.984 20 0 HDADRO CCN1C(=O)c2ccc(C(=O)N3C[C@@H]([NH+](C)C)Cc4ccccc43)cc2S1(=O)=O ZINC000731467558 1075358193 /nfs/dbraw/zinc/35/81/93/1075358193.db2.gz MNXAGMWDWJCWBX-INIZCTEOSA-N 1 0 413.499 1.984 20 0 HDADRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000676096925 1075358241 /nfs/dbraw/zinc/35/82/41/1075358241.db2.gz HLFNAZKAADILRX-ICSRJNTNSA-N 1 0 413.522 1.976 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cn1 ZINC000676096023 1075358409 /nfs/dbraw/zinc/35/84/09/1075358409.db2.gz ONUILCNRCQSZLZ-INIZCTEOSA-N 1 0 415.469 1.644 20 0 HDADRO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000676096690 1075359110 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424.848 1.781 20 0 HDADRO O=C(NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676088409 1075370930 /nfs/dbraw/zinc/37/09/30/1075370930.db2.gz DDKJIAJGIVFWMO-UHFFFAOYSA-N 1 0 412.494 1.357 20 0 HDADRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccccc1 ZINC000676088706 1075371141 /nfs/dbraw/zinc/37/11/41/1075371141.db2.gz DEZVEQNXZGTHIA-SFHVURJKSA-N 1 0 401.430 1.845 20 0 HDADRO CC(=O)[C@@H]1CC(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)=NN1c1ccccc1 ZINC000731480108 1075371179 /nfs/dbraw/zinc/37/11/79/1075371179.db2.gz ANCJJEHXXHVOEQ-FQEVSTJZSA-N 1 0 413.522 1.269 20 0 HDADRO Cc1nnnn1/C(=C/c1ccccc1)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000731481252 1075371475 /nfs/dbraw/zinc/37/14/75/1075371475.db2.gz QRZUCURTWPSXGZ-XDJHFCHBSA-N 1 0 411.510 1.039 20 0 HDADRO Cn1ccnc1[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1F ZINC000676089157 1075372979 /nfs/dbraw/zinc/37/29/79/1075372979.db2.gz FZZDJDMJESUALI-QGZVFWFLSA-N 1 0 413.457 1.162 20 0 HDADRO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000676089204 1075373357 /nfs/dbraw/zinc/37/33/57/1075373357.db2.gz IAHVIQSOHBPVGJ-HNNXBMFYSA-N 1 0 414.510 1.684 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cn1 ZINC000676090835 1075374148 /nfs/dbraw/zinc/37/41/48/1075374148.db2.gz IXSQVYODQYVQKC-QGZVFWFLSA-N 1 0 413.478 1.518 20 0 HDADRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000676090804 1075374175 /nfs/dbraw/zinc/37/41/75/1075374175.db2.gz HNONKGBLCGHOFT-UHFFFAOYSA-N 1 0 420.473 1.429 20 0 HDADRO COc1cc(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc(OC)c1OC ZINC000676090523 1075374853 /nfs/dbraw/zinc/37/48/53/1075374853.db2.gz XHUPXZGYLPZKHB-UHFFFAOYSA-N 1 0 411.418 1.548 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cn1 ZINC000676091479 1075376607 /nfs/dbraw/zinc/37/66/07/1075376607.db2.gz APZZNFFTIVJDMV-OAHLLOKOSA-N 1 0 410.478 1.931 20 0 HDADRO C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)C1 ZINC000676091206 1075377053 /nfs/dbraw/zinc/37/70/53/1075377053.db2.gz DLHSJLFWXJOHFL-MRXNPFEDSA-N 1 0 424.505 1.703 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCOC3(CCOCC3)C2)cc1 ZINC000676103120 1075383793 /nfs/dbraw/zinc/38/37/93/1075383793.db2.gz PYBSQKCZYMSKIZ-UHFFFAOYSA-N 1 0 405.495 1.364 20 0 HDADRO C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000804091084 1075385220 /nfs/dbraw/zinc/38/52/20/1075385220.db2.gz WFFAGJHNJUYASF-CVEARBPZSA-N 1 0 410.559 1.929 20 0 HDADRO C[N@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000804091086 1075385331 /nfs/dbraw/zinc/38/53/31/1075385331.db2.gz WFFAGJHNJUYASF-HZPDHXFCSA-N 1 0 410.559 1.929 20 0 HDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000804092387 1075391517 /nfs/dbraw/zinc/39/15/17/1075391517.db2.gz JWTORBYBXJHKDA-QZWWFDLISA-N 1 0 410.559 1.737 20 0 HDADRO COC(=O)[C@H]1CC[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)[C@H]1C(C)C ZINC000429400586 1075392059 /nfs/dbraw/zinc/39/20/59/1075392059.db2.gz OQFAKDRHKXWQTJ-AZOIQLNYSA-N 1 0 423.535 1.131 20 0 HDADRO NC(=O)c1cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)ccc1F ZINC000676124416 1075395573 /nfs/dbraw/zinc/39/55/73/1075395573.db2.gz IDJBKJYKNQXPDW-KXBFYZLASA-N 1 0 400.454 1.929 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)n2)cc1 ZINC000426937071 1075397544 /nfs/dbraw/zinc/39/75/44/1075397544.db2.gz MMPYPYRUFUQLKG-PKOBYXMFSA-N 1 0 411.506 1.821 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)[C@H]3C)n2)cc1 ZINC000509740897 1075397560 /nfs/dbraw/zinc/39/75/60/1075397560.db2.gz AQBWABMGMVMKAN-APWZRJJASA-N 1 0 411.506 1.964 20 0 HDADRO COc1ccc(Cn2ccc(NC(=O)CC[NH+]3CCN(c4ccccn4)CC3)n2)cc1 ZINC000428495716 1075407061 /nfs/dbraw/zinc/40/70/61/1075407061.db2.gz OKRKXOBDKAACSF-UHFFFAOYSA-N 1 0 420.517 2.486 20 0 HDADRO C[NH+]1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3cccnc3)cc2)CC1 ZINC000731600724 1075407057 /nfs/dbraw/zinc/40/70/57/1075407057.db2.gz SIHVEUFKCKSUMI-UHFFFAOYSA-N 1 0 403.508 1.141 20 0 HDADRO CN(C)c1nc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cs1 ZINC000676161289 1075414663 /nfs/dbraw/zinc/41/46/63/1075414663.db2.gz ZQVIOZMQJIJOFD-AEFFLSMTSA-N 1 0 403.552 1.891 20 0 HDADRO CCn1nc2c(cc1=O)CN(C(=O)NC1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CC2 ZINC000676167166 1075416753 /nfs/dbraw/zinc/41/67/53/1075416753.db2.gz JVVWJRGGXCKZDJ-OALUTQOASA-N 1 0 403.527 1.099 20 0 HDADRO C[NH+]1CCC(N2CCC(NC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)CC2)CC1 ZINC000731622924 1075417787 /nfs/dbraw/zinc/41/77/87/1075417787.db2.gz VPBUHZFVPUKEEH-UHFFFAOYSA-N 1 0 413.497 1.660 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000448483250 1075426503 /nfs/dbraw/zinc/42/65/03/1075426503.db2.gz IMQOKYRLTXLUCZ-QGZVFWFLSA-N 1 0 416.501 2.280 20 0 HDADRO COc1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)nn1 ZINC000556564013 1075433398 /nfs/dbraw/zinc/43/33/98/1075433398.db2.gz KFZMEJGJIMHRPV-UHFFFAOYSA-N 1 0 401.492 1.654 20 0 HDADRO NC(=O)c1csc(C[NH2+]Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000676199901 1075434038 /nfs/dbraw/zinc/43/40/38/1075434038.db2.gz OHLLKPUPOOWRBG-OAHLLOKOSA-N 1 0 409.533 1.594 20 0 HDADRO COC1CC[NH+](C2(CNCc3cnn([C@@]4(C)CCS(=O)(=O)C4)c3)CCCC2)CC1 ZINC000676199668 1075434128 /nfs/dbraw/zinc/43/41/28/1075434128.db2.gz KGEZOABZHSXCRD-FQEVSTJZSA-N 1 0 424.611 1.930 20 0 HDADRO Cc1cn(-c2ncccc2F)nc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000448328228 1075435570 /nfs/dbraw/zinc/43/55/70/1075435570.db2.gz CPBPWMUYPSNTHB-SJORKVTESA-N 1 0 402.474 2.214 20 0 HDADRO C[NH+]1CCC(O)(CNC(=O)NCc2csc(CNC(=O)c3ccccc3)n2)CC1 ZINC000429405089 1075436619 /nfs/dbraw/zinc/43/66/19/1075436619.db2.gz IONZVEVVNRETFX-UHFFFAOYSA-N 1 0 417.535 1.329 20 0 HDADRO CN1CCN(S(=O)(=O)N2CC[NH+](Cn3ccc(=S)c4ccccc43)CC2)CC1 ZINC000731658885 1075440643 /nfs/dbraw/zinc/44/06/43/1075440643.db2.gz PZXYHKGHNNQMDV-UHFFFAOYSA-N 1 0 421.592 1.438 20 0 HDADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000676242751 1075444663 /nfs/dbraw/zinc/44/46/63/1075444663.db2.gz AOQNBYVBRZWAHL-RXVVDRJESA-N 1 0 403.571 1.342 20 0 HDADRO COc1ccc(OC)c([C@H](C)NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000427112352 1075446322 /nfs/dbraw/zinc/44/63/22/1075446322.db2.gz BRSMKPXOGWILFG-AWEZNQCLSA-N 1 0 415.494 1.983 20 0 HDADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCC(=O)N1CCOc2ccccc21 ZINC000731687292 1075449307 /nfs/dbraw/zinc/44/93/07/1075449307.db2.gz LQDXLYKSKWWEEN-UHFFFAOYSA-N 1 0 402.539 1.677 20 0 HDADRO CC1CCC(NS(=O)(=O)CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000731687161 1075449778 /nfs/dbraw/zinc/44/97/78/1075449778.db2.gz FUBIOAJXYBUXPC-VMWRSERWSA-N 1 0 401.573 1.244 20 0 HDADRO CC(C)[C@@H](CNC(=O)CCC(=O)N1CCOc2ccccc21)[NH+]1CCN(C)CC1 ZINC000731687878 1075451112 /nfs/dbraw/zinc/45/11/12/1075451112.db2.gz UHQMZOOZKKCHCR-LJQANCHMSA-N 1 0 402.539 1.580 20 0 HDADRO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(OC)nn2)[NH+]2CCCCC2)cc1 ZINC000560166739 1075453572 /nfs/dbraw/zinc/45/35/72/1075453572.db2.gz 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CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cc1c(C)nc2nc(N)nn2c1C ZINC000427451749 1075618985 /nfs/dbraw/zinc/61/89/85/1075618985.db2.gz XSOWMZZLTGVVCX-UHFFFAOYSA-N 1 0 415.464 1.989 20 0 HDADRO O=C(NCCOc1ncccc1C(F)(F)F)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676621789 1075620981 /nfs/dbraw/zinc/62/09/81/1075620981.db2.gz IGZOQSUIUIJJQU-UHFFFAOYSA-N 1 0 420.351 1.815 20 0 HDADRO COC1(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCOCC1 ZINC000676622649 1075622872 /nfs/dbraw/zinc/62/28/72/1075622872.db2.gz AERMAXIHLWPDHB-UHFFFAOYSA-N 1 0 403.523 1.965 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C ZINC000804183288 1075627296 /nfs/dbraw/zinc/62/72/96/1075627296.db2.gz QWPKLCRDTQOZNJ-WMZOPIPTSA-N 1 0 418.538 1.606 20 0 HDADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCc2cncnc2N)CC1 ZINC000540005562 1075627938 /nfs/dbraw/zinc/62/79/38/1075627938.db2.gz BDVWVRPGYXWQOK-CQSZACIVSA-N 1 0 401.490 1.900 20 0 HDADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cnc(COC)nc2N)CC1 ZINC000474732234 1075628115 /nfs/dbraw/zinc/62/81/15/1075628115.db2.gz UGWUTYDWIBKFHI-AWEZNQCLSA-N 1 0 416.501 1.977 20 0 HDADRO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000732114474 1075635948 /nfs/dbraw/zinc/63/59/48/1075635948.db2.gz NNISIDUTNGHRQZ-XDJHFCHBSA-N 1 0 401.490 1.215 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000732150016 1075650271 /nfs/dbraw/zinc/65/02/71/1075650271.db2.gz UEVMRBSAUMGLKH-NFBGKYEXSA-N 1 0 407.478 1.293 20 0 HDADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000676696917 1075650507 /nfs/dbraw/zinc/65/05/07/1075650507.db2.gz LFNCMEYVWWBCKT-QGZVFWFLSA-N 1 0 402.543 1.022 20 0 HDADRO COc1ccc(COC[C@@H](O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000676701259 1075651696 /nfs/dbraw/zinc/65/16/96/1075651696.db2.gz BLVJXHYFTLGIAF-UXHICEINSA-N 1 0 407.555 1.293 20 0 HDADRO COc1cccc([C@H](CNC(=O)c2cc(S(N)(=O)=O)cn2C)[NH+]2CCCC2)c1 ZINC000027342835 1075652179 /nfs/dbraw/zinc/65/21/79/1075652179.db2.gz UAPAOWMCKNLACO-SFHVURJKSA-N 1 0 406.508 1.248 20 0 HDADRO CN(C)S(=O)(=O)c1cc(C(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)n(C)c1 ZINC001129251003 1075653860 /nfs/dbraw/zinc/65/38/60/1075653860.db2.gz DGNOWIDXNFKNOV-INIZCTEOSA-N 1 0 404.536 1.799 20 0 HDADRO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(C)[C@H]2CCCc3c2cnn3C)c1C ZINC000676717674 1075654271 /nfs/dbraw/zinc/65/42/71/1075654271.db2.gz ONFFOQFVKFYCLI-KRWDZBQOSA-N 1 0 405.524 1.632 20 0 HDADRO CC(C)CN(C(=O)CON=C(N)C[N@@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000732195148 1075656968 /nfs/dbraw/zinc/65/69/68/1075656968.db2.gz JJMDVAZSNSTBHA-HOTGVXAUSA-N 1 0 402.561 1.031 20 0 HDADRO COC1(CO)CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000676723497 1075659469 /nfs/dbraw/zinc/65/94/69/1075659469.db2.gz WZDKZHQXTJJRFB-IBGZPJMESA-N 1 0 417.550 1.403 20 0 HDADRO CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN(C)CC(=O)N2CCOCC2)c1=S ZINC000732179828 1075662239 /nfs/dbraw/zinc/66/22/39/1075662239.db2.gz HEURHOGUXKNOSP-MRXNPFEDSA-N 1 0 412.604 1.975 20 0 HDADRO CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 ZINC000732207052 1075663645 /nfs/dbraw/zinc/66/36/45/1075663645.db2.gz NYQCXLMBFOGBOX-CVEARBPZSA-N 1 0 412.490 1.995 20 0 HDADRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000732207117 1075664464 /nfs/dbraw/zinc/66/44/64/1075664464.db2.gz QAIIKUHAONZPJV-ZDUSSCGKSA-N 1 0 414.528 1.508 20 0 HDADRO O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)N1CCN(Cc2ccsc2)CC1 ZINC000732210745 1075667289 /nfs/dbraw/zinc/66/72/89/1075667289.db2.gz KKKGCYZEQRDMRG-IBGZPJMESA-N 1 0 404.580 1.869 20 0 HDADRO CNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000676743501 1075668443 /nfs/dbraw/zinc/66/84/43/1075668443.db2.gz VRRHORVHLGQBRM-ROUUACIJSA-N 1 0 410.540 1.165 20 0 HDADRO Cc1ccc([C@@H](Cn2ccnc2)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)c1 ZINC000676744366 1075668876 /nfs/dbraw/zinc/66/88/76/1075668876.db2.gz LPSHUROXHBKIGZ-HXUWFJFHSA-N 1 0 423.521 1.754 20 0 HDADRO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000732214595 1075669859 /nfs/dbraw/zinc/66/98/59/1075669859.db2.gz KTZBVNQWDZCIJG-HOCLYGCPSA-N 1 0 404.492 1.810 20 0 HDADRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000676738599 1075670996 /nfs/dbraw/zinc/67/09/96/1075670996.db2.gz BBINTHOEVYYLNB-VQIMIIECSA-N 1 0 407.561 1.967 20 0 HDADRO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(c2cn[nH]c2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000507187766 1075677031 /nfs/dbraw/zinc/67/70/31/1075677031.db2.gz LOWIILGGPPFAKV-ZIAGYGMSSA-N 1 0 405.524 1.502 20 0 HDADRO CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000429465432 1075684257 /nfs/dbraw/zinc/68/42/57/1075684257.db2.gz GAOZMEXJVPSSOX-CYBMUJFWSA-N 1 0 409.918 1.379 20 0 HDADRO Cc1nc(CN2CCC(CNC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)oc1C ZINC000732257541 1075688585 /nfs/dbraw/zinc/68/85/85/1075688585.db2.gz SATGTFFFDUYXNG-MOPGFXCFSA-N 1 0 405.543 1.666 20 0 HDADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000509435349 1075691034 /nfs/dbraw/zinc/69/10/34/1075691034.db2.gz JPCKLFNYDBNTSI-WOJBJXKFSA-N 1 0 415.582 1.411 20 0 HDADRO C[C@@H]1C[NH+](CCCNC(=O)NCCNc2ccc(-c3ccccc3)nn2)C[C@@H](C)O1 ZINC000443655201 1075701638 /nfs/dbraw/zinc/70/16/38/1075701638.db2.gz YDSFECVHBRGXTA-QZTJIDSGSA-N 1 0 412.538 2.354 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C[N@@H+]1C1CC1 ZINC000486216704 1075704565 /nfs/dbraw/zinc/70/45/65/1075704565.db2.gz BZTGPDKSILGTJG-CVEARBPZSA-N 1 0 409.538 1.664 20 0 HDADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cn2)C[C@@H](C)O1 ZINC000484844909 1075706383 /nfs/dbraw/zinc/70/63/83/1075706383.db2.gz CYSNGCDIIRCBDP-HUUCEWRRSA-N 1 0 421.461 1.853 20 0 HDADRO C[C@@H]1CN(c2ccccc2NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H](C)O1 ZINC000562138435 1075707072 /nfs/dbraw/zinc/70/70/72/1075707072.db2.gz KRMBUIKXGZLXET-HZPDHXFCSA-N 1 0 414.510 1.636 20 0 HDADRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000485558070 1075710996 /nfs/dbraw/zinc/71/09/96/1075710996.db2.gz XDRMJXYACCEZBW-QGZVFWFLSA-N 1 0 411.554 1.914 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000429472848 1075711295 /nfs/dbraw/zinc/71/12/95/1075711295.db2.gz WWMOBVGDAKGUOK-QXAKKESOSA-N 1 0 421.586 1.265 20 0 HDADRO Cn1ccnc1[C@@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccccc1 ZINC000523669012 1075714843 /nfs/dbraw/zinc/71/48/43/1075714843.db2.gz SYCOQSUWJOGZKN-SFHVURJKSA-N 1 0 401.430 1.845 20 0 HDADRO Cn1ccnc1[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccccc1F ZINC000507141317 1075715974 /nfs/dbraw/zinc/71/59/74/1075715974.db2.gz JBCLBTJHALHXNN-GOSISDBHSA-N 1 0 419.420 1.984 20 0 HDADRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000550217948 1075717324 /nfs/dbraw/zinc/71/73/24/1075717324.db2.gz PQWDLLRPPGMLDH-UHFFFAOYSA-N 1 0 408.300 2.030 20 0 HDADRO C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CC1 ZINC000531830171 1075720607 /nfs/dbraw/zinc/72/06/07/1075720607.db2.gz LJYZOSXANQXHON-UHFFFAOYSA-N 1 0 413.522 1.829 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000463264335 1075720705 /nfs/dbraw/zinc/72/07/05/1075720705.db2.gz GCOXLHLWZYTFRK-GOEBONIOSA-N 1 0 401.540 1.472 20 0 HDADRO Cc1ccccc1Nc1nc(N)nc(CN2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000467200045 1075720865 /nfs/dbraw/zinc/72/08/65/1075720865.db2.gz CLXPQMZNFRRTBA-UHFFFAOYSA-N 1 0 411.554 2.005 20 0 HDADRO C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000606027018 1075723371 /nfs/dbraw/zinc/72/33/71/1075723371.db2.gz UAXNHPIFBHBJSF-UHFFFAOYSA-N 1 0 406.490 1.855 20 0 HDADRO C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000505019824 1075723674 /nfs/dbraw/zinc/72/36/74/1075723674.db2.gz FZUPJYGQVKCBHC-UHFFFAOYSA-N 1 0 412.519 1.917 20 0 HDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2cc(-c3cccc(F)c3)on2)CC1 ZINC000564194619 1075724247 /nfs/dbraw/zinc/72/42/47/1075724247.db2.gz POODWNQKZIYPGQ-UHFFFAOYSA-N 1 0 403.458 2.402 20 0 HDADRO CN(CCCc1cc(-c2ccccc2)no1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446711153 1075727833 /nfs/dbraw/zinc/72/78/33/1075727833.db2.gz KKYFUOQIZAJBNP-UHFFFAOYSA-N 1 0 424.505 2.129 20 0 HDADRO Cn1nc(NC(=O)C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1C1CC1 ZINC000555035914 1075727843 /nfs/dbraw/zinc/72/78/43/1075727843.db2.gz QFZRUAPNSVPJAB-UHFFFAOYSA-N 1 0 413.444 2.158 20 0 HDADRO CN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000442457296 1075727938 /nfs/dbraw/zinc/72/79/38/1075727938.db2.gz FGIJJIRLOVXEQZ-QZTJIDSGSA-N 1 0 417.485 1.901 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N(CCc2cccc(F)c2)C2CCCC2)n1 ZINC000441951328 1075728162 /nfs/dbraw/zinc/72/81/62/1075728162.db2.gz DUQLWHXFXHNAIM-UHFFFAOYSA-N 1 0 415.513 2.536 20 0 HDADRO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000429473138 1075733544 /nfs/dbraw/zinc/73/35/44/1075733544.db2.gz QCVOYZLNEWRBFJ-AWEZNQCLSA-N 1 0 424.929 1.596 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)n1 ZINC000605623031 1075734926 /nfs/dbraw/zinc/73/49/26/1075734926.db2.gz SNBOKWSJZZJVPK-UHFFFAOYSA-N 1 0 418.441 1.962 20 0 HDADRO CN(C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000460125030 1075735252 /nfs/dbraw/zinc/73/52/52/1075735252.db2.gz NUFZSKZVUPNBKM-CQSZACIVSA-N 1 0 411.915 2.090 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1 ZINC000438695611 1075735415 /nfs/dbraw/zinc/73/54/15/1075735415.db2.gz GRVWPMOTUUNOLV-UHFFFAOYSA-N 1 0 402.474 2.010 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000608328286 1075736114 /nfs/dbraw/zinc/73/61/14/1075736114.db2.gz PPXOUYCQVDVGOB-SFHVURJKSA-N 1 0 420.945 1.981 20 0 HDADRO Cn1nc(NC(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C1CC1 ZINC000576233061 1075737370 /nfs/dbraw/zinc/73/73/70/1075737370.db2.gz KGCLYDRDHIRNDU-GOSISDBHSA-N 1 0 410.522 2.317 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)NCC(=O)Nc2ccc(Br)cc2)n1 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401.555 1.567 20 0 HDADRO CN(Cc1cccc(C(N)=O)c1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000727480411 1076140108 /nfs/dbraw/zinc/14/01/08/1076140108.db2.gz YFEVFEDGZAKPDH-UHFFFAOYSA-N 1 0 411.506 1.419 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc2)CC1 ZINC000733668602 1076149181 /nfs/dbraw/zinc/14/91/81/1076149181.db2.gz JPBXXRMGBQHZKO-HZPDHXFCSA-N 1 0 424.567 1.047 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H](C)CS(=O)(=O)CC)cc2)CC1 ZINC000733671040 1076153228 /nfs/dbraw/zinc/15/32/28/1076153228.db2.gz SBDRICCMYIYWLJ-MRXNPFEDSA-N 1 0 424.567 1.049 20 0 HDADRO CO[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C(F)(F)F ZINC000733672385 1076153685 /nfs/dbraw/zinc/15/36/85/1076153685.db2.gz VBCVSGGIKLWTRT-OAHLLOKOSA-N 1 0 419.469 1.910 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](OC)C(F)(F)F)cc2)CC1 ZINC000733674000 1076157079 /nfs/dbraw/zinc/15/70/79/1076157079.db2.gz NZEVGLQCWCCRCN-OAHLLOKOSA-N 1 0 402.417 1.461 20 0 HDADRO 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ZINC000727715549 1076208293 /nfs/dbraw/zinc/20/82/93/1076208293.db2.gz NGTLOGDEBPYBKZ-JOCHJYFZSA-N 1 0 404.518 1.915 20 0 HDADRO O=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000733805586 1076209689 /nfs/dbraw/zinc/20/96/89/1076209689.db2.gz NAYSARMVMXJGFR-AQNXPRMDSA-N 1 0 401.507 1.845 20 0 HDADRO O=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000733805587 1076209765 /nfs/dbraw/zinc/20/97/65/1076209765.db2.gz NAYSARMVMXJGFR-ZCNNSNEGSA-N 1 0 401.507 1.845 20 0 HDADRO CN(C)S(=O)(=O)c1cc(C(=O)NCC2([NH+](C)C)CCOCC2)ccc1Cl ZINC000733868209 1076224494 /nfs/dbraw/zinc/22/44/94/1076224494.db2.gz WVYYMJOXTCJKQF-UHFFFAOYSA-N 1 0 403.932 1.431 20 0 HDADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753569 1076225986 /nfs/dbraw/zinc/22/59/86/1076225986.db2.gz WDJPDARSWSRWLW-PKOBYXMFSA-N 1 0 400.504 1.670 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(NC(=O)OC(C)(C)C)nc2)CCOCC1 ZINC000733854109 1076230073 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FSZXZIOEMJTFRU-AWEZNQCLSA-N 1 0 424.514 1.293 20 0 HDADRO CC(C)[NH+]1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000733902912 1076262028 /nfs/dbraw/zinc/26/20/28/1076262028.db2.gz DXEIQTDLWSMJBP-OAQYLSRUSA-N 1 0 416.478 1.171 20 0 HDADRO CC(C)[N@@H+]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 ZINC000727831683 1076263645 /nfs/dbraw/zinc/26/36/45/1076263645.db2.gz DIVQPJNQGJGGLK-UHFFFAOYSA-N 1 0 421.567 1.512 20 0 HDADRO CC(C)[C@H](CNC(=O)c1cnn(C)c1I)[NH+]1CCN(C)CC1 ZINC000379102055 1076265224 /nfs/dbraw/zinc/26/52/24/1076265224.db2.gz FVRWFRPQGZUIFM-ZDUSSCGKSA-N 1 0 419.311 1.027 20 0 HDADRO COC(=O)N1CCC(NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000727844378 1076269925 /nfs/dbraw/zinc/26/99/25/1076269925.db2.gz OCTXPKVEHLEBBL-LJQANCHMSA-N 1 0 403.527 1.505 20 0 HDADRO COc1ncc(C(=O)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cn1 ZINC000733955250 1076274194 /nfs/dbraw/zinc/27/41/94/1076274194.db2.gz NDFTZSNIBOJNPI-UHFFFAOYSA-N 1 0 400.479 1.905 20 0 HDADRO 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ZINC001164750869 720952820 /nfs/dbraw/zinc/95/28/20/720952820.db2.gz ODNKJKGHZUMLRK-UHFFFAOYSA-N 1 0 423.473 1.864 20 0 HDADRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164749812 720954846 /nfs/dbraw/zinc/95/48/46/720954846.db2.gz HFNZMEWYBYFWBM-UHFFFAOYSA-N 1 0 422.489 1.898 20 0 HDADRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(F)(F)c1cnnc(Cl)c1)CC2 ZINC001164752276 720955213 /nfs/dbraw/zinc/95/52/13/720955213.db2.gz VKJNZQIRRXRTRP-UHFFFAOYSA-N 1 0 400.817 1.517 20 0 HDADRO CCNS(=O)(=O)c1cccnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164859861 720977435 /nfs/dbraw/zinc/97/74/35/720977435.db2.gz MSQQPPVNQYOCDK-OAHLLOKOSA-N 1 0 406.556 1.998 20 0 HDADRO Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164761634 721065247 /nfs/dbraw/zinc/06/52/47/721065247.db2.gz CGEXNYRSNPQVPO-SVMVAKDDSA-N 1 0 424.549 1.338 20 0 HDADRO COC(=O)c1nc2cnccc2c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865236 721102587 /nfs/dbraw/zinc/10/25/87/721102587.db2.gz JQVQDWZYJDKHQC-SJORKVTESA-N 1 0 420.473 1.686 20 0 HDADRO CCOC(=O)c1nnc(Cl)cc1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164772746 721117496 /nfs/dbraw/zinc/11/74/96/721117496.db2.gz WEYJKBBIMXHVKZ-CABCVRRESA-N 1 0 404.902 1.999 20 0 HDADRO CN1CCOc2c(Cl)nnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164872219 721129499 /nfs/dbraw/zinc/12/94/99/721129499.db2.gz GYEFNIKBJQAPHU-JKSUJKDBSA-N 1 0 416.913 1.833 20 0 HDADRO CN1CCc2nc(Cl)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2C1 ZINC001164872192 721183519 /nfs/dbraw/zinc/18/35/19/721183519.db2.gz GUPZWRIGDJMWFV-DLBZAZTESA-N 1 0 414.941 1.993 20 0 HDADRO CCOC(=O)c1ncnc(Cl)c1N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164769301 721185079 /nfs/dbraw/zinc/18/50/79/721185079.db2.gz MAKRJMKEHXKJMW-CABCVRRESA-N 1 0 404.902 1.999 20 0 HDADRO CCNS(=O)(=O)c1ccc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164771510 721196963 /nfs/dbraw/zinc/19/69/63/721196963.db2.gz QTEIFEGWGVKETG-DLBZAZTESA-N 1 0 404.540 1.072 20 0 HDADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(S(=O)(=O)NC5CC5)cn4)C[C@@H]3C2)cn1 ZINC001164767555 721202877 /nfs/dbraw/zinc/20/28/77/721202877.db2.gz JZLULYFLXSZXRS-IRXDYDNUSA-N 1 0 416.551 1.214 20 0 HDADRO CNC(=O)[C@]12CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164866489 721206746 /nfs/dbraw/zinc/20/67/46/721206746.db2.gz BJMYAYIOAJLGFM-WMZHIEFXSA-N 1 0 421.549 1.689 20 0 HDADRO CCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1 ZINC001164876167 721264484 /nfs/dbraw/zinc/26/44/84/721264484.db2.gz OHJVSTCADVUDKP-UHFFFAOYSA-N 1 0 404.511 1.265 20 0 HDADRO COc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(SC)n1 ZINC001164869894 721272891 /nfs/dbraw/zinc/27/28/91/721272891.db2.gz SLQMOWUFZDFHFV-UHFFFAOYSA-N 1 0 409.556 1.214 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(N4CCCCC4)ncn3)CC2)C1 ZINC001164873560 721283638 /nfs/dbraw/zinc/28/36/38/721283638.db2.gz OKHLXWOXEITDTQ-UHFFFAOYSA-N 1 0 416.570 1.474 20 0 HDADRO CCCNC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1 ZINC001164874413 721285507 /nfs/dbraw/zinc/28/55/07/721285507.db2.gz RBIATXZMAZBWPB-UHFFFAOYSA-N 1 0 417.554 1.228 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(-c4ccccn4)ncn3)CC2)C1 ZINC001164877694 721286369 /nfs/dbraw/zinc/28/63/69/721286369.db2.gz OAVIKRGOIOMQTH-UHFFFAOYSA-N 1 0 410.522 1.546 20 0 HDADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4c3ncn4C3CC3)CC2)C1 ZINC001164878713 721287388 /nfs/dbraw/zinc/28/73/88/721287388.db2.gz UHAHQCWJJSLRFT-UHFFFAOYSA-N 1 0 413.526 1.168 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)nn2)CC1 ZINC001164878981 721310920 /nfs/dbraw/zinc/31/09/20/721310920.db2.gz MFILRSBIGWQDNP-GBESFXJTSA-N 1 0 410.522 1.686 20 0 HDADRO COC(=O)c1cc(C)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164894564 721383041 /nfs/dbraw/zinc/38/30/41/721383041.db2.gz ZBEIAYCEBMRSCO-KNQAVFIVSA-N 1 0 402.539 1.942 20 0 HDADRO Cc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C(N)=O ZINC001164885062 721384899 /nfs/dbraw/zinc/38/48/99/721384899.db2.gz CFRBGOPYDNRJAS-KKSFZXQISA-N 1 0 421.973 1.908 20 0 HDADRO COC(=O)c1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1OC ZINC001164890967 721388459 /nfs/dbraw/zinc/38/84/59/721388459.db2.gz PPWBPSJBPIWIPI-VGSWGCGISA-N 1 0 418.538 1.642 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Cl)n4)C3)O2)CC1 ZINC001164891543 721397377 /nfs/dbraw/zinc/39/73/77/721397377.db2.gz QIPAUPSOMMJUCK-DYVFJYSZSA-N 1 0 401.342 1.944 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(C(=O)NC5CC5)cn4)C3)O2)CC1 ZINC001164891499 721416111 /nfs/dbraw/zinc/41/61/11/721416111.db2.gz WMPGFVQOEWTHLX-OFNKIYASSA-N 1 0 413.566 1.739 20 0 HDADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4[nH+][n-]c(Cl)c5ncnc4-5)C3)O2)CC1 ZINC001164890486 721421917 /nfs/dbraw/zinc/42/19/17/721421917.db2.gz STWLCSJRFJIMGY-KUHUBIRLSA-N 1 0 405.934 1.772 20 0 HDADRO Cc1cn(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)cn1 ZINC001164883721 721424387 /nfs/dbraw/zinc/42/43/87/721424387.db2.gz BXBLULRDWWZXAH-DENIHFKCSA-N 1 0 411.554 1.736 20 0 HDADRO CON(C)C(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164890265 721426321 /nfs/dbraw/zinc/42/63/21/721426321.db2.gz CWTBTIRSVMXUNJ-GCJKJVERSA-N 1 0 417.554 1.480 20 0 HDADRO COc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc2c1ccn2C ZINC001164889147 721448412 /nfs/dbraw/zinc/44/84/12/721448412.db2.gz NYFHQPGKVWPMDI-HTAPYJJXSA-N 1 0 414.554 1.742 20 0 HDADRO CCOC(=O)Cc1ccnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164885398 721451716 /nfs/dbraw/zinc/45/17/16/721451716.db2.gz DNKUBAVJEOOXTO-REWPJTCUSA-N 1 0 416.566 1.953 20 0 HDADRO CCS(=O)(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164889145 721453323 /nfs/dbraw/zinc/45/33/23/721453323.db2.gz NXRNIOJMNCJISC-RXVVDRJESA-N 1 0 422.595 1.641 20 0 HDADRO C[NH+]1CCN(c2cccc(N3CCCn4nnc(CNc5cccnc5)c4C3)n2)CC1 ZINC001164790130 721475027 /nfs/dbraw/zinc/47/50/27/721475027.db2.gz RHKZZEBPXUEOCS-UHFFFAOYSA-N 1 0 419.537 1.842 20 0 HDADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@H]4C3)n2)CC1 ZINC001164793721 721481773 /nfs/dbraw/zinc/48/17/73/721481773.db2.gz YCEITZJXZZCURX-OTWHNJEPSA-N 1 0 415.538 1.229 20 0 HDADRO CN1CCc2nc(Cl)nc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@@H]43)c3ncccn3)c2C1 ZINC001164791754 721484658 /nfs/dbraw/zinc/48/46/58/721484658.db2.gz JPMJQHAYGZSGFH-ZQIUZPCESA-N 1 0 415.929 1.671 20 0 HDADRO C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@]4(COc4ncccc4F)C3)n2)CC1 ZINC001164791691 721487108 /nfs/dbraw/zinc/48/71/08/721487108.db2.gz DUFTYYSNQLOSFV-JTSKRJEESA-N 1 0 413.497 1.899 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CCC4(CCC(=O)N4Cc4ccncc4)CC3)nn2)CC1 ZINC001164895987 721506146 /nfs/dbraw/zinc/50/61/46/721506146.db2.gz GENKNNPFUZEIHL-UHFFFAOYSA-N 1 0 421.549 1.785 20 0 HDADRO COc1cc2ncc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc2cc1OC ZINC001164794549 721512619 /nfs/dbraw/zinc/51/26/19/721512619.db2.gz RTUROKJGRIQYPD-UHFFFAOYSA-N 1 0 423.521 1.611 20 0 HDADRO CCOC(=O)/C=C\c1ccc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1 ZINC001164796843 721515761 /nfs/dbraw/zinc/51/57/61/721515761.db2.gz DMTXDXIPBDQGMD-ALCCZGGFSA-N 1 0 410.522 1.622 20 0 HDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cncc(N4CCCCCC4)n2)CC3)CC1 ZINC001164795941 721520825 /nfs/dbraw/zinc/52/08/25/721520825.db2.gz VBIUZXWAUZRJAM-UHFFFAOYSA-N 1 0 410.570 1.821 20 0 HDADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)Oc2cnc(Cl)cn2)CC3)CC1 ZINC001164795127 721522549 /nfs/dbraw/zinc/52/25/49/721522549.db2.gz JXYDMJGFRHNTCU-UHFFFAOYSA-N 1 0 413.860 1.519 20 0 HDADRO CCNS(=O)(=O)c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907591 721543524 /nfs/dbraw/zinc/54/35/24/721543524.db2.gz NGLQJYIIGALJSD-AEFFLSMTSA-N 1 0 420.510 1.861 20 0 HDADRO NS(=O)(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(F)c1 ZINC001164905963 721567175 /nfs/dbraw/zinc/56/71/75/721567175.db2.gz IGGYYNOXKOKDMZ-DZGCQCFKSA-N 1 0 410.446 1.349 20 0 HDADRO CN(Cc1cccnc1)[C@@H]1CN(c2nccc(N3CCC([NH3+])CC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164801676 721567207 /nfs/dbraw/zinc/56/72/07/721567207.db2.gz HCGNRCMALWNOGY-KCZVDYSFSA-N 1 0 423.565 1.667 20 0 HDADRO CON(C)C(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164801154 721584493 /nfs/dbraw/zinc/58/44/93/721584493.db2.gz DSFVADUEKJZOAB-IRFCIJBXSA-N 1 0 411.506 1.978 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CCC[C@]4(CCN(c5cncnc5)C4=O)C3)nn2)CC1 ZINC001165017499 721783569 /nfs/dbraw/zinc/78/35/69/721783569.db2.gz HIXCCBOYTSHUIZ-NRFANRHFSA-N 1 0 408.510 1.042 20 0 HDADRO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N(C)C)[nH+]c(C)n4)CCO3)C2)cs1 ZINC001164925529 721823864 /nfs/dbraw/zinc/82/38/64/721823864.db2.gz RTTFUNWDKORQBF-HXUWFJFHSA-N 1 0 418.567 1.724 20 0 HDADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(N)(=O)=O)nn3)C[C@H]21 ZINC001165026684 721828384 /nfs/dbraw/zinc/82/83/84/721828384.db2.gz PGFOJBUSDUYRAZ-DJIMGWMZSA-N 1 0 402.524 1.256 20 0 HDADRO Cc1nc(CN2CCOC[C@]3(CN(c4ncc(C)cc4C[NH3+])CCO3)C2)cs1 ZINC001164925075 721830801 /nfs/dbraw/zinc/83/08/01/721830801.db2.gz XTZUIOAEBWLTAX-HXUWFJFHSA-N 1 0 403.552 1.721 20 0 HDADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(CN2C(=O)NC(C)(C)C2=O)cn1 ZINC001164931488 721881482 /nfs/dbraw/zinc/88/14/82/721881482.db2.gz FTPNYRHPYKNDOL-DLBZAZTESA-N 1 0 400.527 1.127 20 0 HDADRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1 ZINC001164934891 721890575 /nfs/dbraw/zinc/89/05/75/721890575.db2.gz TWHVJLBRAHIGKX-UONOGXRCSA-N 1 0 422.929 1.898 20 0 HDADRO C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)NC4CCC4)C3)n2)CC1 ZINC001164936101 721896466 /nfs/dbraw/zinc/89/64/66/721896466.db2.gz XWBMKMSYFMXVMR-RLLQIKCJSA-N 1 0 413.566 1.734 20 0 HDADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)n3)C[C@H]21 ZINC001164946776 721953195 /nfs/dbraw/zinc/95/31/95/721953195.db2.gz OVPRZXKCLKFVPK-UXHICEINSA-N 1 0 412.538 1.704 20 0 HDADRO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)C[C@H]21 ZINC001164947764 721957240 /nfs/dbraw/zinc/95/72/40/721957240.db2.gz QNXCSYOCOPNJFZ-MOPGFXCFSA-N 1 0 414.510 1.302 20 0 HDADRO Cn1ccnc1C(=O)N[C@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164973624 722093540 /nfs/dbraw/zinc/09/35/40/722093540.db2.gz BHDQDHCRPDHIFP-CMKODMSKSA-N 1 0 410.522 1.576 20 0 HDADRO CCOC(=O)Cc1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164981467 722131399 /nfs/dbraw/zinc/13/13/99/722131399.db2.gz ORZZWLIGRSSTIY-ICSRJNTNSA-N 1 0 411.506 1.705 20 0 HDADRO CNS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164973296 722140051 /nfs/dbraw/zinc/14/00/51/722140051.db2.gz BRQSZPVQUBXYGW-IEBWSBKVSA-N 1 0 417.535 1.112 20 0 HDADRO Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5c4CC[NH2+]C5)CC[C@@H]32)cs1 ZINC001164984119 722178142 /nfs/dbraw/zinc/17/81/42/722178142.db2.gz CYVQDLCAPKOJIK-OALUTQOASA-N 1 0 400.552 1.757 20 0 HDADRO CCOC[C@H]1C(=O)N(CC)CC12CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164992053 722187604 /nfs/dbraw/zinc/18/76/04/722187604.db2.gz RNGRFDGIVXYACG-IBGZPJMESA-N 1 0 415.582 1.935 20 0 HDADRO CN1CCN(c2ncnc3c2CCN(c2ncccc2C[NH+]2CCCC2)CC3)CC1 ZINC001165002725 722239707 /nfs/dbraw/zinc/23/97/07/722239707.db2.gz XRAWMOLJCBWLBV-UHFFFAOYSA-N 1 0 407.566 1.824 20 0 HDADRO COC(=O)c1cc(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165000106 722250819 /nfs/dbraw/zinc/25/08/19/722250819.db2.gz LBNDMKLACWUGSY-UHFFFAOYSA-N 1 0 408.890 1.602 20 0 HDADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(CN3CCOCC3)cn1)CCC2 ZINC001164999591 722250838 /nfs/dbraw/zinc/25/08/38/722250838.db2.gz DEUNMDIJOZREMQ-UHFFFAOYSA-N 1 0 414.554 1.599 20 0 HDADRO C[NH+](C)CCOCc1ncn2c1CN(c1[nH]c3cc(=O)[nH]c-3cc1Cl)CCC2 ZINC001165002252 722254065 /nfs/dbraw/zinc/25/40/65/722254065.db2.gz MFTQGNJBTZEWKZ-UHFFFAOYSA-N 1 0 404.902 1.915 20 0 HDADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc3ncnc(Cl)c3n1)CCC2 ZINC001165001645 722255139 /nfs/dbraw/zinc/25/51/39/722255139.db2.gz DZEAUEMLHTXOLX-UHFFFAOYSA-N 1 0 402.890 1.758 20 0 HDADRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000429044444 1073456871 /nfs/dbraw/zinc/45/68/71/1073456871.db2.gz UIZMCLQOOJSHKV-KNQAVFIVSA-N 1 0 400.523 1.589 20 0 HDADRO COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCN2Cc3ccccc3C2)c1 ZINC000671395748 1073474017 /nfs/dbraw/zinc/47/40/17/1073474017.db2.gz BXUURSAPVYOBMB-UHFFFAOYSA-N 1 0 424.545 1.717 20 0 HDADRO CN(c1cc(F)ccc1N(CC[NH3+])S(C)(=O)=O)S(=O)(=O)c1ccccc1 ZINC001162127226 1073520489 /nfs/dbraw/zinc/52/04/89/1073520489.db2.gz SACSQDSGEDLOMJ-UHFFFAOYSA-N 1 0 401.485 1.376 20 0 HDADRO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000429083500 1073526818 /nfs/dbraw/zinc/52/68/18/1073526818.db2.gz UXYXYIKHYBHONH-MRXNPFEDSA-N 1 0 422.551 1.656 20 0 HDADRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000429081707 1073527063 /nfs/dbraw/zinc/52/70/63/1073527063.db2.gz PWAHOZAEANDCIZ-BRWVUGGUSA-N 1 0 400.531 1.369 20 0 HDADRO CC[N@H+](Cc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1)C(C)C ZINC000625163206 1073527101 /nfs/dbraw/zinc/52/71/01/1073527101.db2.gz PCYMIJKEVBSFTR-UHFFFAOYSA-N 1 0 410.584 1.224 20 0 HDADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000429088550 1073539310 /nfs/dbraw/zinc/53/93/10/1073539310.db2.gz SYZZCFCAHDDRGY-MSOLQXFVSA-N 1 0 414.558 1.618 20 0 HDADRO CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000625183282 1073543281 /nfs/dbraw/zinc/54/32/81/1073543281.db2.gz MNOIULJLIFGGBU-IBGZPJMESA-N 1 0 423.579 1.948 20 0 HDADRO O=C(CCC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)N1CC(=O)Nc2ccccc21 ZINC000625190512 1073557929 /nfs/dbraw/zinc/55/79/29/1073557929.db2.gz QHGKOBXSPRZWHG-KRWDZBQOSA-N 1 0 414.506 1.465 20 0 HDADRO C[NH+]1CCN(C(=N)Nc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)CC1 ZINC001168740012 1073598232 /nfs/dbraw/zinc/59/82/32/1073598232.db2.gz AOSRAZXYBGVAMP-UHFFFAOYSA-N 1 0 402.466 1.412 20 0 HDADRO COC(=O)Nc1cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1F ZINC000766018301 1073620273 /nfs/dbraw/zinc/62/02/73/1073620273.db2.gz DLEFDINOSKGPHT-MRXNPFEDSA-N 1 0 407.446 1.774 20 0 HDADRO CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673668854 1073623118 /nfs/dbraw/zinc/62/31/18/1073623118.db2.gz BFRLDPVITNZQCO-AZUAARDMSA-N 1 0 412.534 1.132 20 0 HDADRO C[C@@H](NC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)C1CC[NH+](C)CC1 ZINC000673671471 1073626171 /nfs/dbraw/zinc/62/61/71/1073626171.db2.gz ZGIRFNBMZHINBX-BEFAXECRSA-N 1 0 413.522 1.383 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000673715627 1073653530 /nfs/dbraw/zinc/65/35/30/1073653530.db2.gz HSGXVTYDDFMEEQ-SFHVURJKSA-N 1 0 402.520 1.479 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000673716270 1073655232 /nfs/dbraw/zinc/65/52/32/1073655232.db2.gz QSXDWJSMZXRDPI-FQEVSTJZSA-N 1 0 410.518 1.770 20 0 HDADRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766023390 1073669798 /nfs/dbraw/zinc/66/97/98/1073669798.db2.gz MRQWOBRYVSQCGJ-DOTOQJQBSA-N 1 0 417.522 1.740 20 0 HDADRO C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673741354 1073674388 /nfs/dbraw/zinc/67/43/88/1073674388.db2.gz WMGCGALITNZKSD-NVXWUHKLSA-N 1 0 412.538 1.308 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cnn(CC(=O)NC4CCCCC4)c3)CC2)C1 ZINC000673742052 1073676194 /nfs/dbraw/zinc/67/61/94/1073676194.db2.gz IWQMLVKNRPBLCE-FQEVSTJZSA-N 1 0 416.570 1.184 20 0 HDADRO CC[N@@H+](CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C[C@H]1CCOC1 ZINC000673755098 1073690018 /nfs/dbraw/zinc/69/00/18/1073690018.db2.gz RXQXOQSJUBMFES-HXUWFJFHSA-N 1 0 416.566 1.745 20 0 HDADRO C[NH+](C)[C@H](CNC(=O)NCCCN1CCCS1(=O)=O)c1ccc(Cl)cc1 ZINC000673772471 1073704311 /nfs/dbraw/zinc/70/43/11/1073704311.db2.gz FTUDZZGBKZJVRJ-MRXNPFEDSA-N 1 0 402.948 1.668 20 0 HDADRO C[C@@H](CCNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000673775364 1073708574 /nfs/dbraw/zinc/70/85/74/1073708574.db2.gz GQJPHLRWGXHGTF-KRWDZBQOSA-N 1 0 411.572 1.031 20 0 HDADRO C[C@H]1COCCCN1C(=O)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000673782111 1073719479 /nfs/dbraw/zinc/71/94/79/1073719479.db2.gz AKYFQABUBYCXBZ-IBGZPJMESA-N 1 0 417.550 1.811 20 0 HDADRO CCN1CCc2ccc(NC(=O)C(=O)N3CC[C@H](OCC[NH+](CC)CC)C3)cc21 ZINC000673788842 1073735457 /nfs/dbraw/zinc/73/54/57/1073735457.db2.gz BSCVQDFROCDIQL-IBGZPJMESA-N 1 0 402.539 1.967 20 0 HDADRO COC[C@H]1CCCN1C(=O)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000673792518 1073737308 /nfs/dbraw/zinc/73/73/08/1073737308.db2.gz BZRBCAGJOYYUAT-HXUWFJFHSA-N 1 0 417.550 1.811 20 0 HDADRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H](CCCO)c1ccccc1 ZINC000509157432 1073785174 /nfs/dbraw/zinc/78/51/74/1073785174.db2.gz VUFWJWMUWQMVCS-FXAWDEMLSA-N 1 0 403.523 1.328 20 0 HDADRO CN(CCCC[NH+](C)C)C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673839161 1073803208 /nfs/dbraw/zinc/80/32/08/1073803208.db2.gz AGFLHYBUMAOBIX-GOSISDBHSA-N 1 0 401.511 1.336 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@H]2CCCN2c2ncccn2)CC1 ZINC000673833864 1073807974 /nfs/dbraw/zinc/80/79/74/1073807974.db2.gz GZPPEIVBNZEGCF-GOSISDBHSA-N 1 0 416.570 1.388 20 0 HDADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@H]2CCCN2c2ncccn2)CC1 ZINC000673838197 1073812682 /nfs/dbraw/zinc/81/26/82/1073812682.db2.gz KOLSSIZAKRDYAB-LJQANCHMSA-N 1 0 414.554 1.286 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCCN3c3ncccn3)c2)C1 ZINC000673837996 1073812795 /nfs/dbraw/zinc/81/27/95/1073812795.db2.gz QNLWEMLSRKMMAG-UXHICEINSA-N 1 0 422.533 1.459 20 0 HDADRO NC(=O)C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 ZINC000543491579 1073817482 /nfs/dbraw/zinc/81/74/82/1073817482.db2.gz XDQQJMZQDPSORM-OAHLLOKOSA-N 1 0 419.341 1.483 20 0 HDADRO Cc1nn(C)c(N2CCOCC2)c1CNCc1ccncc1OCCC[NH+](C)C ZINC000673851995 1073818048 /nfs/dbraw/zinc/81/80/48/1073818048.db2.gz LANMYFJOUMMVCA-UHFFFAOYSA-N 1 0 402.543 1.580 20 0 HDADRO CCO[C@@H](C)c1noc(CN2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)n1 ZINC000673870527 1073835159 /nfs/dbraw/zinc/83/51/59/1073835159.db2.gz AGNUMYSPTKTXJG-HNNXBMFYSA-N 1 0 420.518 1.275 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)cn1 ZINC000673870409 1073835614 /nfs/dbraw/zinc/83/56/14/1073835614.db2.gz NOXPUZOGOXQTEN-UHFFFAOYSA-N 1 0 405.503 1.211 20 0 HDADRO COc1ccc([C@@H](CNC(=O)Nc2cnn(CC[NH+](C)C)c2)N2CCOCC2)cc1 ZINC000673872359 1073837887 /nfs/dbraw/zinc/83/78/87/1073837887.db2.gz WCBMEKYDPWZZHF-HXUWFJFHSA-N 1 0 416.526 1.648 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 ZINC000673872345 1073838156 /nfs/dbraw/zinc/83/81/56/1073838156.db2.gz FJGJIYBAYHGVHI-OAQYLSRUSA-N 1 0 412.538 1.954 20 0 HDADRO CC[NH+]1CCC(NC(=O)CSc2nnc(N3CCOCC3)n2CC(C)C)CC1 ZINC000029618017 1073841987 /nfs/dbraw/zinc/84/19/87/1073841987.db2.gz UNHRIZXOGFGDKZ-UHFFFAOYSA-N 1 0 410.588 1.463 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000673879179 1073851463 /nfs/dbraw/zinc/85/14/63/1073851463.db2.gz WFGFSYLWPXEKAA-UHFFFAOYSA-N 1 0 416.519 1.162 20 0 HDADRO Cc1nn(C)c2ncc(NC(=O)C(=O)NC3CC[NH+](CCOC(C)C)CC3)cc12 ZINC000673892211 1073864418 /nfs/dbraw/zinc/86/44/18/1073864418.db2.gz VTKMBEZDBJZBHK-UHFFFAOYSA-N 1 0 402.499 1.221 20 0 HDADRO CC(=O)Nc1ccc(NC(=O)CN2CC[NH+](C(C)(C)CO)CC2)c(C(F)(F)F)c1 ZINC000673896567 1073866682 /nfs/dbraw/zinc/86/66/82/1073866682.db2.gz XGGGBRNKUCKEPJ-UHFFFAOYSA-N 1 0 416.444 1.991 20 0 HDADRO O=C(C[NH+](C1CCC1)C1CCC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000429162826 1073889901 /nfs/dbraw/zinc/88/99/01/1073889901.db2.gz SWRFZIHVQUJKKC-OAQYLSRUSA-N 1 0 413.518 1.904 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3cccc(NS(C)(=O)=O)c3)C2=O)c1 ZINC000673929376 1073899650 /nfs/dbraw/zinc/89/96/50/1073899650.db2.gz CJMIZMLXSUFWAG-IBGZPJMESA-N 1 0 419.503 1.970 20 0 HDADRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000673930298 1073903067 /nfs/dbraw/zinc/90/30/67/1073903067.db2.gz HJXPTYROSIYPHT-BZNIZROVSA-N 1 0 403.405 1.480 20 0 HDADRO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1nc2n(n1)CCCN2 ZINC000673926638 1073906818 /nfs/dbraw/zinc/90/68/18/1073906818.db2.gz NADOPOWTRYJVBN-UHFFFAOYSA-N 1 0 404.902 1.278 20 0 HDADRO C[C@H](NC(=O)CCc1ccc(S(N)(=O)=O)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000673938703 1073911558 /nfs/dbraw/zinc/91/15/58/1073911558.db2.gz CQCWRFFRVIHYKQ-INIZCTEOSA-N 1 0 409.552 1.416 20 0 HDADRO C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000673940631 1073914977 /nfs/dbraw/zinc/91/49/77/1073914977.db2.gz ZFNLEPNWWCVKEC-QZTJIDSGSA-N 1 0 400.523 1.580 20 0 HDADRO CCN(C(=O)NCCNS(=O)(=O)NC(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000429173229 1073940321 /nfs/dbraw/zinc/94/03/21/1073940321.db2.gz ANUUJYNHJZAWAV-GOSISDBHSA-N 1 0 411.572 1.125 20 0 HDADRO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000030573616 1073940716 /nfs/dbraw/zinc/94/07/16/1073940716.db2.gz KCRBYIRHAYQEQM-UHFFFAOYSA-N 1 0 420.579 1.044 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000429174476 1073942814 /nfs/dbraw/zinc/94/28/14/1073942814.db2.gz YRZQOMXVKKWQMT-DLBZAZTESA-N 1 0 403.593 1.115 20 0 HDADRO C[C@H]1C[NH+](CC2CCN(C(=O)NC3CCN(c4cccnn4)CC3)CC2)C[C@H](C)O1 ZINC000429175639 1073949985 /nfs/dbraw/zinc/94/99/85/1073949985.db2.gz KDMYVETYDAABNX-ROUUACIJSA-N 1 0 416.570 1.976 20 0 HDADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000429176189 1073952017 /nfs/dbraw/zinc/95/20/17/1073952017.db2.gz MURUVHWDHGVJJP-RTBURBONSA-N 1 0 415.586 1.645 20 0 HDADRO C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000429179299 1073966941 /nfs/dbraw/zinc/96/69/41/1073966941.db2.gz FXJDQFLWTBQSRW-SFHVURJKSA-N 1 0 407.946 1.771 20 0 HDADRO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)N1CCC[C@@H](O)C1 ZINC000670441355 1073967863 /nfs/dbraw/zinc/96/78/63/1073967863.db2.gz NYSGDIGOZXMZFU-BHIFYINESA-N 1 0 407.514 1.754 20 0 HDADRO CN1CCN(C(=O)c2ccccc2NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000673982763 1073974305 /nfs/dbraw/zinc/97/43/05/1073974305.db2.gz OMNFSXHQGFMIQS-HXUWFJFHSA-N 1 0 405.568 1.633 20 0 HDADRO CC[NH+](CC)CCOc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)cc1 ZINC000058258481 1073988326 /nfs/dbraw/zinc/98/83/26/1073988326.db2.gz SDTDHGKJDVRPKX-UHFFFAOYSA-N 1 0 409.490 1.829 20 0 HDADRO O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670443646 1073988686 /nfs/dbraw/zinc/98/86/86/1073988686.db2.gz FGMMETAEDIZRNO-KRWDZBQOSA-N 1 0 413.515 1.207 20 0 HDADRO C[C@@]1(c2ccc(C(=O)N3CCC[C@H]([NH+]4CCOCC4)CC3)cc2)NC(=O)NC1=O ZINC000670444139 1073990767 /nfs/dbraw/zinc/99/07/67/1073990767.db2.gz NYNVJBKXAGVECN-UWJYYQICSA-N 1 0 400.479 1.068 20 0 HDADRO O=C(Nc1cccnc1N1CCCCC1)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000509185503 1073992235 /nfs/dbraw/zinc/99/22/35/1073992235.db2.gz OOGAEBIVAURILZ-KRWDZBQOSA-N 1 0 401.511 1.191 20 0 HDADRO O=C(Nc1cccnc1N1CCCCC1)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000509185504 1073992262 /nfs/dbraw/zinc/99/22/62/1073992262.db2.gz OOGAEBIVAURILZ-QGZVFWFLSA-N 1 0 401.511 1.191 20 0 HDADRO CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000509187973 1073994545 /nfs/dbraw/zinc/99/45/45/1073994545.db2.gz YLLUIMWELGAZRH-MSOLQXFVSA-N 1 0 400.527 1.844 20 0 HDADRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000543524647 1074004782 /nfs/dbraw/zinc/00/47/82/1074004782.db2.gz MKCARFXTOYYAEO-GJZGRUSLSA-N 1 0 422.551 1.445 20 0 HDADRO C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000484452968 1074011250 /nfs/dbraw/zinc/01/12/50/1074011250.db2.gz NXQUIFGALMYAOP-OPYAIIAOSA-N 1 0 407.530 1.373 20 0 HDADRO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3CN3CCNC3=O)C2)CC1 ZINC000543527777 1074015374 /nfs/dbraw/zinc/01/53/74/1074015374.db2.gz RNFYJMUQUXTTJT-QGZVFWFLSA-N 1 0 413.522 1.341 20 0 HDADRO CCOc1ncccc1NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543531699 1074028304 /nfs/dbraw/zinc/02/83/04/1074028304.db2.gz LSSPKCPTBRZLEW-UHFFFAOYSA-N 1 0 403.527 1.295 20 0 HDADRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)([NH+](C)C)C1 ZINC000543535379 1074041551 /nfs/dbraw/zinc/04/15/51/1074041551.db2.gz XUXMRTDVIOLLQA-OPAMFIHVSA-N 1 0 415.538 1.777 20 0 HDADRO CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC001299292256 1074047039 /nfs/dbraw/zinc/04/70/39/1074047039.db2.gz UGFDOKHAHMKHSG-YOEHRIQHSA-N 1 0 404.540 1.216 20 0 HDADRO C[C@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)N1C(=O)c2ccccc2C1=O ZINC000058737781 1074057894 /nfs/dbraw/zinc/05/78/94/1074057894.db2.gz VPZCTRURYKAVRR-CYBMUJFWSA-N 1 0 422.441 1.779 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN[C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000543545300 1074058621 /nfs/dbraw/zinc/05/86/21/1074058621.db2.gz JWMCNMJYFNZDOR-MJGOQNOKSA-N 1 0 400.527 1.391 20 0 HDADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC(=O)N(C4CC4)C3)cc2)C[C@H](C)O1 ZINC000429198241 1074061076 /nfs/dbraw/zinc/06/10/76/1074061076.db2.gz RBGQUOMXFPKXBU-JTDSTZFVSA-N 1 0 400.523 1.858 20 0 HDADRO COCc1nc2n(n1)C[C@@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000466600873 1074063002 /nfs/dbraw/zinc/06/30/02/1074063002.db2.gz YIKVXOXXEMRXCR-WMZOPIPTSA-N 1 0 400.527 1.949 20 0 HDADRO CCn1c(CSc2nc(N)cc(N)[nH+]2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000031819243 1074077097 /nfs/dbraw/zinc/07/70/97/1074077097.db2.gz BSIQWPOUYGCOJU-UHFFFAOYSA-N 1 0 407.525 1.553 20 0 HDADRO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000543556390 1074085627 /nfs/dbraw/zinc/08/56/27/1074085627.db2.gz BYGVZNGCKLNCPC-ALOPSCKCSA-N 1 0 424.505 1.350 20 0 HDADRO C[C@H](NC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)C1CC[NH+](C)CC1 ZINC000674026121 1074093321 /nfs/dbraw/zinc/09/33/21/1074093321.db2.gz SVXZGFLQKIUHLI-XHSDSOJGSA-N 1 0 406.531 1.371 20 0 HDADRO C[C@H](NC(=O)NCC(C)(C)S(C)(=O)=O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000674030663 1074098703 /nfs/dbraw/zinc/09/87/03/1074098703.db2.gz VJTHGQQIYGVXOE-AWEZNQCLSA-N 1 0 414.547 1.761 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C(=O)N1c1cnn(C)c1 ZINC000674033475 1074101690 /nfs/dbraw/zinc/10/16/90/1074101690.db2.gz KVIMROYRANWWSH-KDOFPFPSSA-N 1 0 402.474 1.484 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(OC3CCC3)c(F)c2)CC1 ZINC000674039753 1074111881 /nfs/dbraw/zinc/11/18/81/1074111881.db2.gz UPQNVXMDGINOTN-UHFFFAOYSA-N 1 0 406.502 1.838 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)CC1 ZINC000466615915 1074115168 /nfs/dbraw/zinc/11/51/68/1074115168.db2.gz BRXYDKARWKPCSW-DLBZAZTESA-N 1 0 409.575 1.347 20 0 HDADRO O=C(CN1C(=O)CCC1=O)N1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000674047821 1074140716 /nfs/dbraw/zinc/14/07/16/1074140716.db2.gz RGJIFEMFZBKMEO-UHFFFAOYSA-N 1 0 411.424 1.931 20 0 HDADRO COC(=O)NCc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000766058360 1074155518 /nfs/dbraw/zinc/15/55/18/1074155518.db2.gz CNSWSQVRUZGGJQ-QGZVFWFLSA-N 1 0 403.483 1.313 20 0 HDADRO C[C@@H](NC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)C1CC[NH+](C)CC1 ZINC000674055982 1074157050 /nfs/dbraw/zinc/15/70/50/1074157050.db2.gz JOILBBIWMBRWAG-CZUORRHYSA-N 1 0 409.556 1.972 20 0 HDADRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)C1 ZINC000543578576 1074162073 /nfs/dbraw/zinc/16/20/73/1074162073.db2.gz NXYIUPXZOMSSRA-LPHOPBHVSA-N 1 0 413.522 1.384 20 0 HDADRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1 ZINC000543581510 1074166717 /nfs/dbraw/zinc/16/67/17/1074166717.db2.gz LMIKIOJLOHKDEH-MJGOQNOKSA-N 1 0 401.463 1.803 20 0 HDADRO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000674089806 1074179905 /nfs/dbraw/zinc/17/99/05/1074179905.db2.gz AOBLUCVWQNWOKU-NJDAHSKKSA-N 1 0 416.497 1.412 20 0 HDADRO CN1CCOC[C@@]1(CO)CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001626098339 1074182226 /nfs/dbraw/zinc/18/22/26/1074182226.db2.gz DFFMHAJVTFDMEB-FQEVSTJZSA-N 1 0 408.568 1.689 20 0 HDADRO 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Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000674194885 1074209235 /nfs/dbraw/zinc/20/92/35/1074209235.db2.gz QZRANCPVWCCJJQ-QGZVFWFLSA-N 1 0 412.494 1.222 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@H](n4ccnc4)C3)cc2)CC1 ZINC000674202064 1074216655 /nfs/dbraw/zinc/21/66/55/1074216655.db2.gz LBNUAYYTZRTLQF-NRFANRHFSA-N 1 0 424.549 1.823 20 0 HDADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000674226310 1074234331 /nfs/dbraw/zinc/23/43/31/1074234331.db2.gz PPJDMRDVXLILGC-CRAIPNDOSA-N 1 0 422.485 1.983 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000674251055 1074243175 /nfs/dbraw/zinc/24/31/75/1074243175.db2.gz IUMPTUWRWFFGJW-FQEVSTJZSA-N 1 0 415.559 1.913 20 0 HDADRO CSc1ccncc1NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000674270813 1074251096 /nfs/dbraw/zinc/25/10/96/1074251096.db2.gz JBNTWGYBICZXFX-IRXDYDNUSA-N 1 0 414.531 1.741 20 0 HDADRO CO[C@H](C)c1noc(CN2CCCN(C(=O)N[C@H](C)C3CC[NH+](C)CC3)CC2)n1 ZINC000674295292 1074258295 /nfs/dbraw/zinc/25/82/95/1074258295.db2.gz LQUKPZAYVXEAAB-HZPDHXFCSA-N 1 0 408.547 1.725 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000674298051 1074262305 /nfs/dbraw/zinc/26/23/05/1074262305.db2.gz NEILRBZYUNASRW-SFHVURJKSA-N 1 0 421.523 1.010 20 0 HDADRO COCC[NH+]1CCC(NC(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000140365965 1074263352 /nfs/dbraw/zinc/26/33/52/1074263352.db2.gz CDRJOPGRQVIQPF-UHFFFAOYSA-N 1 0 404.511 1.273 20 0 HDADRO COC1CC[NH+](CCNC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000674309750 1074267983 /nfs/dbraw/zinc/26/79/83/1074267983.db2.gz KTHXELJNZIQOAE-MSOLQXFVSA-N 1 0 409.527 1.195 20 0 HDADRO COC1CC[NH+](CCNC(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)CC1 ZINC000674314276 1074270094 /nfs/dbraw/zinc/27/00/94/1074270094.db2.gz GQWJELWDYUDZDS-GASCZTMLSA-N 1 0 411.572 1.985 20 0 HDADRO C[N@@H+](CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C[C@@H](O)C1CC1 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COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000674320040 1074280874 /nfs/dbraw/zinc/28/08/74/1074280874.db2.gz AKXZDHXVMWWEFB-UHFFFAOYSA-N 1 0 402.264 1.754 20 0 HDADRO C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000674330902 1074285762 /nfs/dbraw/zinc/28/57/62/1074285762.db2.gz AXGSKTPOJPXCBG-PKOBYXMFSA-N 1 0 423.583 1.173 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000674333444 1074287429 /nfs/dbraw/zinc/28/74/29/1074287429.db2.gz YRKSQVRRVCBPFC-KRWDZBQOSA-N 1 0 404.559 1.925 20 0 HDADRO CCCn1ccnc1CCC[N@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000429227005 1074290595 /nfs/dbraw/zinc/29/05/95/1074290595.db2.gz MNFCQUXKHOTAFL-UHFFFAOYSA-N 1 0 419.551 1.394 20 0 HDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000674368927 1074298006 /nfs/dbraw/zinc/29/80/06/1074298006.db2.gz VUKFEFRJLYQKNP-QGTPRVQTSA-N 1 0 422.551 1.397 20 0 HDADRO 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C[C@H](NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1nc(C2CCCCC2)no1 ZINC000674630614 1074495539 /nfs/dbraw/zinc/49/55/39/1074495539.db2.gz FJUNYWPBJKKZBY-WMZOPIPTSA-N 1 0 420.558 1.884 20 0 HDADRO CN(CCN1CCCS1(=O)=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000674631885 1074496173 /nfs/dbraw/zinc/49/61/73/1074496173.db2.gz VXMRWJWWZZGJEQ-LJQANCHMSA-N 1 0 408.568 1.891 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N(CC[NH+](C)C)Cc2cccs2)C1=O ZINC000674637988 1074497747 /nfs/dbraw/zinc/49/77/47/1074497747.db2.gz BJZDGISXYMQUIQ-KUHUBIRLSA-N 1 0 407.540 1.542 20 0 HDADRO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674672473 1074516217 /nfs/dbraw/zinc/51/62/17/1074516217.db2.gz QMFVUVPVVAPNGJ-JTSKRJEESA-N 1 0 416.543 1.947 20 0 HDADRO Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000674725298 1074540981 /nfs/dbraw/zinc/54/09/81/1074540981.db2.gz ZLLPAPLMGCJTFY-MAUKXSAKSA-N 1 0 400.527 1.802 20 0 HDADRO Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC1 ZINC000674762800 1074557053 /nfs/dbraw/zinc/55/70/53/1074557053.db2.gz YZTCULVKWNRLDJ-UHFFFAOYSA-N 1 0 423.517 1.765 20 0 HDADRO CN(C)C(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000674764907 1074559464 /nfs/dbraw/zinc/55/94/64/1074559464.db2.gz MMJDSQCHEAMBMQ-SFHVURJKSA-N 1 0 423.517 1.750 20 0 HDADRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCC(OCCCO)CC1 ZINC000670483968 1074569018 /nfs/dbraw/zinc/56/90/18/1074569018.db2.gz HCRVQFHTVFNMNR-UHFFFAOYSA-N 1 0 403.523 1.157 20 0 HDADRO O=C(N[C@@H]1CCN(c2ccccn2)C1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000670483960 1074569053 /nfs/dbraw/zinc/56/90/53/1074569053.db2.gz FKDIPWOZCDIXRQ-HXUWFJFHSA-N 1 0 407.518 1.557 20 0 HDADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000674797136 1074569466 /nfs/dbraw/zinc/56/94/66/1074569466.db2.gz NJFAKNFDSBWBQT-AWEZNQCLSA-N 1 0 409.512 1.056 20 0 HDADRO Cn1nc(Br)cc1C[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000785474662 1074587086 /nfs/dbraw/zinc/58/70/86/1074587086.db2.gz VKENSOHXJCQTOI-UHFFFAOYSA-N 1 0 421.361 1.245 20 0 HDADRO COc1ccc(-n2cc(CNC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)nn2)cc1 ZINC000674874792 1074594101 /nfs/dbraw/zinc/59/41/01/1074594101.db2.gz ZKEOMSXTPHGMBW-IBGZPJMESA-N 1 0 402.499 1.528 20 0 HDADRO COc1cc(CN2CC[C@H](NC(=O)NCC[NH+]3CCC(OC)CC3)C2)cc(OC)c1 ZINC000674879446 1074600108 /nfs/dbraw/zinc/60/01/08/1074600108.db2.gz STEGQRGBYRIAPG-SFHVURJKSA-N 1 0 420.554 1.688 20 0 HDADRO Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1C(=O)N(C)C ZINC000674900841 1074607646 /nfs/dbraw/zinc/60/76/46/1074607646.db2.gz YTXCMEBBZFRNHN-UHFFFAOYSA-N 1 0 400.479 1.819 20 0 HDADRO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000674892300 1074609130 /nfs/dbraw/zinc/60/91/30/1074609130.db2.gz CADBTXGCVDLXDJ-QGZVFWFLSA-N 1 0 401.417 1.997 20 0 HDADRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC001128871524 1074612086 /nfs/dbraw/zinc/61/20/86/1074612086.db2.gz PGORYSSGMSNISC-HRAATJIYSA-N 1 0 402.495 1.405 20 0 HDADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000674917484 1074614101 /nfs/dbraw/zinc/61/41/01/1074614101.db2.gz KTKPFSOCSRRZBC-SFTDATJTSA-N 1 0 402.539 1.523 20 0 HDADRO CCC(=O)N1CCC([NH2+]Cc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000674911652 1074616794 /nfs/dbraw/zinc/61/67/94/1074616794.db2.gz KYWHLRSEVSETQX-UHFFFAOYSA-N 1 0 408.568 1.113 20 0 HDADRO COc1ccc([C@H](CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)[NH+](C)C)cc1OC ZINC000674970935 1074654234 /nfs/dbraw/zinc/65/42/34/1074654234.db2.gz CGESIHXJBBXDLO-HQRMLTQVSA-N 1 0 407.511 1.896 20 0 HDADRO COc1ccc([C@H](CNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)[NH+](C)C)cc1OC ZINC000674970938 1074654958 /nfs/dbraw/zinc/65/49/58/1074654958.db2.gz CGESIHXJBBXDLO-XKGZKEIXSA-N 1 0 407.511 1.896 20 0 HDADRO COc1ccc([C@@H](CNC(=O)N2CCC(OCCCO)CC2)[NH+](C)C)cc1OC ZINC000674971083 1074655468 /nfs/dbraw/zinc/65/54/68/1074655468.db2.gz DWKMUAXEFZGPOJ-GOSISDBHSA-N 1 0 409.527 1.880 20 0 HDADRO 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1074698844 /nfs/dbraw/zinc/69/88/44/1074698844.db2.gz UJLJVPNJXWEMIU-UHFFFAOYSA-N 1 0 405.543 1.940 20 0 HDADRO O=C(CNC(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1)Nc1ccccc1Br ZINC000429315183 1074700450 /nfs/dbraw/zinc/70/04/50/1074700450.db2.gz IRUZBNXKVZPQGD-ZDUSSCGKSA-N 1 0 418.291 1.966 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CCN2C1=O ZINC000675084166 1074700811 /nfs/dbraw/zinc/70/08/11/1074700811.db2.gz MRFYEBJZQLQEKA-CABCVRRESA-N 1 0 405.524 1.563 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4C)CC3)CCN2C1=O ZINC000675086628 1074701957 /nfs/dbraw/zinc/70/19/57/1074701957.db2.gz BQNQJESCCWCHQC-LJQANCHMSA-N 1 0 413.522 1.637 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000675086199 1074702036 /nfs/dbraw/zinc/70/20/36/1074702036.db2.gz RABSISFQGQMFLK-OAQYLSRUSA-N 1 0 417.550 1.982 20 0 HDADRO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@@H]1CS(=O)(=O)NC ZINC000429243506 1074705309 /nfs/dbraw/zinc/70/53/09/1074705309.db2.gz FRJBDCABRCUYKK-MRXNPFEDSA-N 1 0 412.556 1.953 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000477027628 1074709993 /nfs/dbraw/zinc/70/99/93/1074709993.db2.gz KZQJCWRKGVTRKL-KSSFIOAISA-N 1 0 424.492 1.419 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NC[C@H]3CC[N@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000675098235 1074709989 /nfs/dbraw/zinc/70/99/89/1074709989.db2.gz WHDJTQXCKCITAD-RTBURBONSA-N 1 0 413.522 1.229 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000477027629 1074710175 /nfs/dbraw/zinc/71/01/75/1074710175.db2.gz KZQJCWRKGVTRKL-RDTXWAMCSA-N 1 0 424.492 1.419 20 0 HDADRO CC[C@@H](CNC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000675088034 1074711458 /nfs/dbraw/zinc/71/14/58/1074711458.db2.gz VWFZZSUBPAZJOU-RBUKOAKNSA-N 1 0 413.522 1.501 20 0 HDADRO O=C(C[NH2+][C@H]1Cc2cccc(O)c2C1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000429317772 1074713187 /nfs/dbraw/zinc/71/31/87/1074713187.db2.gz PGGCYCXASQROTO-FUHWJXTLSA-N 1 0 406.548 1.797 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)nn1-c1ccc(F)cc1F ZINC000564754981 1074714345 /nfs/dbraw/zinc/71/43/45/1074714345.db2.gz OQHGGRWYMQZNIH-UHFFFAOYSA-N 1 0 417.460 2.484 20 0 HDADRO COCCNC(=O)C1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000675112712 1074717539 /nfs/dbraw/zinc/71/75/39/1074717539.db2.gz SLOZODRAYHMGDI-PXNSSMCTSA-N 1 0 402.539 1.834 20 0 HDADRO O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000447413850 1074717815 /nfs/dbraw/zinc/71/78/15/1074717815.db2.gz QNOVXTKAQIHBFJ-UHFFFAOYSA-N 1 0 401.898 2.455 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)CCN2C1=O ZINC000675102154 1074719119 /nfs/dbraw/zinc/71/91/19/1074719119.db2.gz PQABKHJYTDITAZ-NVXWUHKLSA-N 1 0 401.511 1.794 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C(=O)N1c1cnn(C)c1 ZINC000675106248 1074721662 /nfs/dbraw/zinc/72/16/62/1074721662.db2.gz PNIFNAYLEMCVJX-HBXLWWENSA-N 1 0 410.522 1.876 20 0 HDADRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000490407921 1074724143 /nfs/dbraw/zinc/72/41/43/1074724143.db2.gz LFYNMCISTVPHFB-UHFFFAOYSA-N 1 0 410.400 1.827 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000477031635 1074732063 /nfs/dbraw/zinc/73/20/63/1074732063.db2.gz YJUWLBPSKGJIGF-MRXNPFEDSA-N 1 0 411.506 1.797 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000477033397 1074736228 /nfs/dbraw/zinc/73/62/28/1074736228.db2.gz MQBOYPMIUFYTQG-GFCCVEGCSA-N 1 0 415.437 1.822 20 0 HDADRO C[C@@H](CNC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)[N@@H+]1CCCC[C@H]1C ZINC000543615343 1074738277 /nfs/dbraw/zinc/73/82/77/1074738277.db2.gz YMVJEKNXKABUBJ-SJORKVTESA-N 1 0 402.543 1.854 20 0 HDADRO CCOCCCNC(=O)C1CC[NH+](CCc2c(C)nc3sccn3c2=O)CC1 ZINC000509311228 1074742843 /nfs/dbraw/zinc/74/28/43/1074742843.db2.gz UIAOXVXWHWBBDO-UHFFFAOYSA-N 1 0 406.552 1.862 20 0 HDADRO C[NH+](C)CCCN(C(=O)c1cccc(Nc2ncccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000675144730 1074743161 /nfs/dbraw/zinc/74/31/61/1074743161.db2.gz UORWPQNVJZVPOA-SFHVURJKSA-N 1 0 417.535 1.801 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000675185734 1074751293 /nfs/dbraw/zinc/75/12/93/1074751293.db2.gz DVBYCEDNDAHHOG-GOSISDBHSA-N 1 0 402.543 1.457 20 0 HDADRO COC(=O)Cn1ccc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)n1 ZINC000469660575 1074751967 /nfs/dbraw/zinc/75/19/67/1074751967.db2.gz JRLMBCULRNWTFX-AWEZNQCLSA-N 1 0 413.400 2.499 20 0 HDADRO C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675189831 1074752092 /nfs/dbraw/zinc/75/20/92/1074752092.db2.gz DCECIUAHWLMGNH-DOTOQJQBSA-N 1 0 408.493 2.000 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccccc2CN2CCNC2=O)CC1 ZINC000543614714 1074752765 /nfs/dbraw/zinc/75/27/65/1074752765.db2.gz IIMHBSZTGNNGSJ-UHFFFAOYSA-N 1 0 416.526 1.230 20 0 HDADRO CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000477037929 1074752938 /nfs/dbraw/zinc/75/29/38/1074752938.db2.gz XTSFHCHMQUJYBC-QGZVFWFLSA-N 1 0 418.538 1.216 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000675193758 1074753672 /nfs/dbraw/zinc/75/36/72/1074753672.db2.gz JOLUXAZZSFQFGQ-MRXNPFEDSA-N 1 0 413.544 1.182 20 0 HDADRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000543615590 1074753987 /nfs/dbraw/zinc/75/39/87/1074753987.db2.gz ZVOPCSGIRPBDOE-DLBZAZTESA-N 1 0 402.543 1.711 20 0 HDADRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000543615592 1074754106 /nfs/dbraw/zinc/75/41/06/1074754106.db2.gz ZVOPCSGIRPBDOE-IRXDYDNUSA-N 1 0 402.543 1.711 20 0 HDADRO CN(CCCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000766096065 1074754691 /nfs/dbraw/zinc/75/46/91/1074754691.db2.gz GDOQJRUAHIAENQ-AEFFLSMTSA-N 1 0 418.563 1.790 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000675197890 1074755321 /nfs/dbraw/zinc/75/53/21/1074755321.db2.gz RNZBZETZAUPCDY-MRXNPFEDSA-N 1 0 409.556 1.040 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000675198170 1074755436 /nfs/dbraw/zinc/75/54/36/1074755436.db2.gz SPKGMBNCZRXACP-GOSISDBHSA-N 1 0 405.518 1.966 20 0 HDADRO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(O[C@@H]2CCOC2)c1 ZINC000675201345 1074756407 /nfs/dbraw/zinc/75/64/07/1074756407.db2.gz ARJWNLJCRGLQAT-VAMGGRTRSA-N 1 0 403.523 1.903 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)no1 ZINC000590281879 1074760949 /nfs/dbraw/zinc/76/09/49/1074760949.db2.gz GAYDFIMJGGKECV-UHFFFAOYSA-N 1 0 416.478 1.728 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCc2ccncc2OCC[NH+](C)C)nn1[C@@H](C)C1CC1 ZINC000574237662 1074761741 /nfs/dbraw/zinc/76/17/41/1074761741.db2.gz QKQTVPDDKIQVEZ-HNNXBMFYSA-N 1 0 414.510 1.753 20 0 HDADRO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ncn(CC(=O)N(C)C)n3)cc2)CC1 ZINC000475861327 1074767613 /nfs/dbraw/zinc/76/76/13/1074767613.db2.gz ILRVRJTUUCHKHW-UHFFFAOYSA-N 1 0 413.526 1.920 20 0 HDADRO C[N@H+](Cc1cn2cc(Br)ccc2n1)C1CCN(S(C)(=O)=O)CC1 ZINC000675251912 1074769213 /nfs/dbraw/zinc/76/92/13/1074769213.db2.gz VSURKSKTVOMJLT-UHFFFAOYSA-N 1 0 401.330 1.953 20 0 HDADRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766100335 1074770190 /nfs/dbraw/zinc/77/01/90/1074770190.db2.gz ZXOGILWLEFEQLQ-YWPYICTPSA-N 1 0 410.583 1.175 20 0 HDADRO O=C(NCCc1cc(C(F)(F)F)ccn1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000481469380 1074770848 /nfs/dbraw/zinc/77/08/48/1074770848.db2.gz BJIPZJWDEDYNSI-UHFFFAOYSA-N 1 0 404.352 1.979 20 0 HDADRO CCN(CC1CCN(c2ccccn2)CC1)C(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000477061623 1074771883 /nfs/dbraw/zinc/77/18/83/1074771883.db2.gz WYGDXTVSIJYFTO-GOSISDBHSA-N 1 0 403.571 1.993 20 0 HDADRO CCN(CC1CCN(c2ccccn2)CC1)C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000477061624 1074771943 /nfs/dbraw/zinc/77/19/43/1074771943.db2.gz WYGDXTVSIJYFTO-SFHVURJKSA-N 1 0 403.571 1.993 20 0 HDADRO CCC(=O)Nc1cccc(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000576650365 1074772328 /nfs/dbraw/zinc/77/23/28/1074772328.db2.gz ZOWLAAMFNRTHQO-UHFFFAOYSA-N 1 0 412.494 1.753 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000477063626 1074774878 /nfs/dbraw/zinc/77/48/78/1074774878.db2.gz IWWPHOKGZLIDIT-SFHVURJKSA-N 1 0 416.566 1.430 20 0 HDADRO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)nn1-c1ccc(F)cc1F ZINC000580495123 1074779027 /nfs/dbraw/zinc/77/90/27/1074779027.db2.gz RCNLNUNKAFMDIJ-ZBEGNZNMSA-N 1 0 403.433 1.996 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000477070346 1074779394 /nfs/dbraw/zinc/77/93/94/1074779394.db2.gz SIQWGMSMYVPKNY-MRXNPFEDSA-N 1 0 424.973 1.839 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000477081417 1074788546 /nfs/dbraw/zinc/78/85/46/1074788546.db2.gz LYPREXUZPBUXPO-HNNXBMFYSA-N 1 0 406.502 1.393 20 0 HDADRO O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000675296223 1074790419 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412.538 1.625 20 0 HDADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)nc2)CC1 ZINC000675665535 1075251733 /nfs/dbraw/zinc/25/17/33/1075251733.db2.gz DFFTYSDRAMDOCG-QGZVFWFLSA-N 1 0 422.533 1.994 20 0 HDADRO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000438717378 1075260963 /nfs/dbraw/zinc/26/09/63/1075260963.db2.gz NQGGWESHDUMXQA-ZDUSSCGKSA-N 1 0 408.418 1.818 20 0 HDADRO CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(OC)c1 ZINC000546801709 1075261028 /nfs/dbraw/zinc/26/10/28/1075261028.db2.gz XYHDXJJZUAZFGM-UHFFFAOYSA-N 1 0 407.558 1.323 20 0 HDADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)Cc3ccc(C(N)=O)nc3)CC2)cc1 ZINC001129048917 1075261213 /nfs/dbraw/zinc/26/12/13/1075261213.db2.gz FETCMXDUIYACSD-UHFFFAOYSA-N 1 0 409.490 1.462 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nc3c(s2)COCC3)C[N@@H+]1Cc1ccccc1 ZINC000466695358 1075261927 /nfs/dbraw/zinc/26/19/27/1075261927.db2.gz ITGGJMAEPMMKRI-HIFRSBDPSA-N 1 0 400.504 1.934 20 0 HDADRO 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ZINC000675819551 1075276875 /nfs/dbraw/zinc/27/68/75/1075276875.db2.gz OMLUOFLYGPYYNN-MRXNPFEDSA-N 1 0 409.474 1.560 20 0 HDADRO COc1ccc(S(=O)(=O)N2CCCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000675825468 1075278910 /nfs/dbraw/zinc/27/89/10/1075278910.db2.gz SIHODKFCOOXCDV-MRXNPFEDSA-N 1 0 410.540 1.195 20 0 HDADRO O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(NCC[N@@H+]2CCCOCC2)nc1 ZINC000445661140 1075282566 /nfs/dbraw/zinc/28/25/66/1075282566.db2.gz AZASFSHZYHQRGT-UHFFFAOYSA-N 1 0 412.462 2.295 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000503498954 1075284257 /nfs/dbraw/zinc/28/42/57/1075284257.db2.gz PNPVULJGZFECNK-ROUUACIJSA-N 1 0 411.506 1.981 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000503498952 1075284285 /nfs/dbraw/zinc/28/42/85/1075284285.db2.gz PNPVULJGZFECNK-MSOLQXFVSA-N 1 0 411.506 1.981 20 0 HDADRO COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429382049 1075286493 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RMAZOKXARBQCKD-ZWKOTPCHSA-N 1 0 408.930 1.976 20 0 HDADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@]1(O)CCCc2ccccc21 ZINC000731404345 1075331190 /nfs/dbraw/zinc/33/11/90/1075331190.db2.gz ARYNTAZETRDGIN-KNQAVFIVSA-N 1 0 402.539 1.452 20 0 HDADRO Cc1ccc([C@@H]2COCCN2C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)o1 ZINC000427080212 1075333357 /nfs/dbraw/zinc/33/33/57/1075333357.db2.gz FWESOMKZTUBSSC-INIZCTEOSA-N 1 0 401.467 1.590 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1 ZINC000509378438 1075338334 /nfs/dbraw/zinc/33/83/34/1075338334.db2.gz JRHGHPGNRZZWMK-QUCCMNQESA-N 1 0 423.602 1.118 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2ccccc2SCC(N)=O)CC1 ZINC000509380291 1075340395 /nfs/dbraw/zinc/34/03/95/1075340395.db2.gz SCJZNKXCDJNXHE-UHFFFAOYSA-N 1 0 407.540 1.282 20 0 HDADRO Cc1cccc(CN(CC[NH+](C)C)C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)c1 ZINC000429217888 1075344070 /nfs/dbraw/zinc/34/40/70/1075344070.db2.gz IEJIVFTVZVQVMK-UHFFFAOYSA-N 1 0 424.505 2.281 20 0 HDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(Br)c(F)c1 ZINC000676077872 1075344248 /nfs/dbraw/zinc/34/42/48/1075344248.db2.gz YVWHUEVNQXVALT-GFCCVEGCSA-N 1 0 408.337 1.816 20 0 HDADRO Cc1ccccc1C1(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CCOCC1 ZINC000676092690 1075351785 /nfs/dbraw/zinc/35/17/85/1075351785.db2.gz OWKKUVBMBWEWPV-UHFFFAOYSA-N 1 0 413.522 1.556 20 0 HDADRO CN(C)C(=O)C[C@H](NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccccc1 ZINC000676092704 1075351790 /nfs/dbraw/zinc/35/17/90/1075351790.db2.gz PDHOZIZSEGBIOW-SFHVURJKSA-N 1 0 406.446 1.542 20 0 HDADRO COc1ccc(CCCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1OC ZINC000676092183 1075352419 /nfs/dbraw/zinc/35/24/19/1075352419.db2.gz AUPOVZTXNCTIJN-UHFFFAOYSA-N 1 0 409.446 1.972 20 0 HDADRO COc1ccc(-n2ccc(CNC(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)n2)cc1 ZINC000676092425 1075352481 /nfs/dbraw/zinc/35/24/81/1075352481.db2.gz HXMPVCVFAUOHET-UHFFFAOYSA-N 1 0 417.429 1.717 20 0 HDADRO COc1cc(CN(C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1SC ZINC000676093030 1075353196 /nfs/dbraw/zinc/35/31/96/1075353196.db2.gz CKOORJOQMYOIGC-UHFFFAOYSA-N 1 0 405.524 1.772 20 0 HDADRO COc1ccccc1CN1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676093554 1075353914 /nfs/dbraw/zinc/35/39/14/1075353914.db2.gz NVLJZSCVDOQDAQ-UHFFFAOYSA-N 1 0 420.473 1.559 20 0 HDADRO O=C(NCCCc1nnc2n1CCCCC2)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676093493 1075353970 /nfs/dbraw/zinc/35/39/70/1075353970.db2.gz KWRXWTTUYGOKPK-UHFFFAOYSA-N 1 0 408.466 1.273 20 0 HDADRO COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000804083725 1075354705 /nfs/dbraw/zinc/35/47/05/1075354705.db2.gz FAXKPMBCAROLIC-HNNXBMFYSA-N 1 0 401.429 1.716 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000466711161 1075357011 /nfs/dbraw/zinc/35/70/11/1075357011.db2.gz RNFIIVMISOCZNJ-QAPCUYQASA-N 1 0 405.462 1.380 20 0 HDADRO C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095510 1075357896 /nfs/dbraw/zinc/35/78/96/1075357896.db2.gz PGSQVIZZPHJKTF-QGZVFWFLSA-N 1 0 404.474 1.939 20 0 HDADRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C1 ZINC000731469589 1075358525 /nfs/dbraw/zinc/35/85/25/1075358525.db2.gz SQQOMMVDTCDPLU-MRXNPFEDSA-N 1 0 419.503 1.434 20 0 HDADRO CN(c1ccc(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1)C1CC[NH+](C)CC1 ZINC000731473680 1075359750 /nfs/dbraw/zinc/35/97/50/1075359750.db2.gz ZMGQBMYAWCFSFW-UHFFFAOYSA-N 1 0 413.522 1.924 20 0 HDADRO CCN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096330 1075359685 /nfs/dbraw/zinc/35/96/85/1075359685.db2.gz WHTAVLDQPNSWEM-UHFFFAOYSA-N 1 0 406.446 1.371 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCCO[C@@H]2CCCc3ccccc32)cn1 ZINC000676096463 1075359727 /nfs/dbraw/zinc/35/97/27/1075359727.db2.gz MFTMTZXTVSMJLJ-HXUWFJFHSA-N 1 0 413.522 1.984 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCCc2ccc(Br)cc2)cn1 ZINC000676096121 1075359967 /nfs/dbraw/zinc/35/99/67/1075359967.db2.gz GMWIYCZBMFVFSQ-UHFFFAOYSA-N 1 0 408.300 1.505 20 0 HDADRO COC(=O)COc1c(C)cc(C[NH2+]C2CCN(CCC(=O)N(C)C)CC2)cc1C ZINC000731453919 1075363258 /nfs/dbraw/zinc/36/32/58/1075363258.db2.gz ULMSCLYVGUDJJJ-UHFFFAOYSA-N 1 0 405.539 1.888 20 0 HDADRO COc1cccc([C@@H]2CN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CCO2)c1 ZINC000676099915 1075363794 /nfs/dbraw/zinc/36/37/94/1075363794.db2.gz KIVFGNLSGUMBSJ-IBGZPJMESA-N 1 0 407.430 1.815 20 0 HDADRO O=C(NCCCc1ccc2c(c1)OCCO2)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676100017 1075364240 /nfs/dbraw/zinc/36/42/40/1075364240.db2.gz NWCWUBICBAIXDQ-UHFFFAOYSA-N 1 0 407.430 1.726 20 0 HDADRO CCNC(=O)N1CCc2ccc(NC(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)cc21 ZINC000676099909 1075364717 /nfs/dbraw/zinc/36/47/17/1075364717.db2.gz KCCZURGGABUDLZ-UHFFFAOYSA-N 1 0 413.482 1.114 20 0 HDADRO C[C@@H](Cc1ccccc1Br)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676100048 1075366315 /nfs/dbraw/zinc/36/63/15/1075366315.db2.gz PAZCCRLUDWHCMA-ZDUSSCGKSA-N 1 0 422.327 1.893 20 0 HDADRO COc1ccc(CCNC(=O)[C@H](C)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1OC ZINC000447412005 1075368272 /nfs/dbraw/zinc/36/82/72/1075368272.db2.gz DRNSBUDVSQWIPM-INIZCTEOSA-N 1 0 415.538 2.326 20 0 HDADRO CCOC(=O)c1cn(CN2CCN(C(=O)C[NH+](CC)CC)CC2)nc1C(F)(F)F ZINC000731495667 1075368338 /nfs/dbraw/zinc/36/83/38/1075368338.db2.gz HHJWOIWJYXUDJY-UHFFFAOYSA-N 1 0 419.448 1.522 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cn1 ZINC000676089849 1075372109 /nfs/dbraw/zinc/37/21/09/1075372109.db2.gz JZSPXTXEEUAMRW-UHFFFAOYSA-N 1 0 412.494 1.438 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2cccc(OCc3ccccn3)c2)cn1 ZINC000676089842 1075372249 /nfs/dbraw/zinc/37/22/49/1075372249.db2.gz JWDRHYLRRFFRSJ-UHFFFAOYSA-N 1 0 422.489 1.674 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cn1 ZINC000676090932 1075374153 /nfs/dbraw/zinc/37/41/53/1075374153.db2.gz NMFRUFIXFTZKLE-UHFFFAOYSA-N 1 0 418.929 1.381 20 0 HDADRO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090928 1075374163 /nfs/dbraw/zinc/37/41/63/1075374163.db2.gz 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CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000429472844 1075740098 /nfs/dbraw/zinc/74/00/98/1075740098.db2.gz WWMOBVGDAKGUOK-QRQLOZEOSA-N 1 0 421.586 1.265 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000429477236 1075745106 /nfs/dbraw/zinc/74/51/06/1075745106.db2.gz ZPRAMVKHHAPYFW-SFHVURJKSA-N 1 0 401.555 1.614 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000429477235 1075745137 /nfs/dbraw/zinc/74/51/37/1075745137.db2.gz ZPRAMVKHHAPYFW-GOSISDBHSA-N 1 0 401.555 1.614 20 0 HDADRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCCC[C@H]3CN3CCCC3=O)cn2)CC1 ZINC000732441572 1075745243 /nfs/dbraw/zinc/74/52/43/1075745243.db2.gz MWBFPXXCWHIOAN-IBGZPJMESA-N 1 0 414.554 1.520 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000429477103 1075745984 /nfs/dbraw/zinc/74/59/84/1075745984.db2.gz VODUTODFHZPITO-HNNXBMFYSA-N 1 0 415.469 1.704 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440691778 1075747331 /nfs/dbraw/zinc/74/73/31/1075747331.db2.gz GEZFWZYMZBTABC-GOSISDBHSA-N 1 0 407.522 1.846 20 0 HDADRO CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(C(=O)Nc3cc(C)on3)CC2)c1 ZINC000438650151 1075747739 /nfs/dbraw/zinc/74/77/39/1075747739.db2.gz PYEPSRSVXHHVIV-SFHVURJKSA-N 1 0 401.463 2.276 20 0 HDADRO Nc1nc(-n2cccn2)cc(N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)[nH+]1 ZINC000485434960 1075749926 /nfs/dbraw/zinc/74/99/26/1075749926.db2.gz UJUOVGNPDNUJNG-ZUOKHONESA-N 1 0 416.449 1.643 20 0 HDADRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)C1 ZINC000583335812 1075749997 /nfs/dbraw/zinc/74/99/97/1075749997.db2.gz HOEJJMCKCOIHIX-HNNXBMFYSA-N 1 0 420.311 2.126 20 0 HDADRO C[NH+](C)[C@]1(CNC(=O)NCCNc2ccc(-c3ccccc3)nn2)CCSC1 ZINC000443698001 1075750215 /nfs/dbraw/zinc/75/02/15/1075750215.db2.gz YTFOLICUSASNGR-FQEVSTJZSA-N 1 0 400.552 2.292 20 0 HDADRO 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ZINC000546051419 1075763767 /nfs/dbraw/zinc/76/37/67/1075763767.db2.gz RSYBIQWYVOUZIK-UHFFFAOYSA-N 1 0 401.486 2.408 20 0 HDADRO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427349632 1075767276 /nfs/dbraw/zinc/76/72/76/1075767276.db2.gz KMURYBSQFXXIDY-UHFFFAOYSA-N 1 0 401.515 1.768 20 0 HDADRO CN(Cc1ccc(Cl)c(F)c1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427271140 1075768052 /nfs/dbraw/zinc/76/80/52/1075768052.db2.gz BMHSYANQJQGUSC-UHFFFAOYSA-N 1 0 407.877 2.539 20 0 HDADRO CCOC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1C ZINC000509448092 1075774492 /nfs/dbraw/zinc/77/44/92/1075774492.db2.gz FFWDXYVNAHUSHE-UHFFFAOYSA-N 1 0 423.535 1.100 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@]4(C3)CCc3ccccc3O4)n2)CC1 ZINC000579415620 1075778884 /nfs/dbraw/zinc/77/88/84/1075778884.db2.gz PKGVHKUGOJCHPK-HSZRJFAPSA-N 1 0 423.517 2.085 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCc3ccn(-c4ccccc4)n3)n2)CC1 ZINC000426916232 1075779490 /nfs/dbraw/zinc/77/94/90/1075779490.db2.gz KSPVZNUPSBZBHX-UHFFFAOYSA-N 1 0 421.505 1.633 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCc3c(F)cc(F)c(F)c3F)n2)CC1 ZINC000484805439 1075779715 /nfs/dbraw/zinc/77/97/15/1075779715.db2.gz GRVLCZXHTXKJPC-UHFFFAOYSA-N 1 0 413.375 1.961 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CCOc4c(F)ccc(F)c43)n2)CC1 ZINC000464101047 1075780575 /nfs/dbraw/zinc/78/05/75/1075780575.db2.gz XJBJOQCMFFPADB-OAHLLOKOSA-N 1 0 419.432 2.007 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)NCCS(=O)(=O)c3ccc(F)cc3)n2)CC1 ZINC000491309797 1075784261 /nfs/dbraw/zinc/78/42/61/1075784261.db2.gz LNNUPWIJYSLEAU-UHFFFAOYSA-N 1 0 409.487 1.884 20 0 HDADRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000804235614 1075790035 /nfs/dbraw/zinc/79/00/35/1075790035.db2.gz JMLFUXAYLYPTHZ-KLAILNCOSA-N 1 0 410.559 1.691 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2nnc(-c3ccccc3)s2)CC1 ZINC000479953882 1075790119 /nfs/dbraw/zinc/79/01/19/1075790119.db2.gz DYRVVZPUJDXKHZ-OAHLLOKOSA-N 1 0 400.508 1.975 20 0 HDADRO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC(C[NH+](C)C)CC2)C1=O ZINC000732569186 1075790269 /nfs/dbraw/zinc/79/02/69/1075790269.db2.gz FBJGZAUGMNONOQ-NRFANRHFSA-N 1 0 401.511 1.149 20 0 HDADRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCC3(CC2)OCCc2ccsc23)C1 ZINC000486966300 1075791350 /nfs/dbraw/zinc/79/13/50/1075791350.db2.gz NCRLBQIJRWZALP-QGZVFWFLSA-N 1 0 420.579 1.909 20 0 HDADRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1 ZINC000484150326 1075797790 /nfs/dbraw/zinc/79/77/90/1075797790.db2.gz YAKBFINFFJJABW-AWEZNQCLSA-N 1 0 404.902 1.766 20 0 HDADRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccn(-c4ncccc4C(F)(F)F)n3)C2)C1 ZINC000556491058 1075798125 /nfs/dbraw/zinc/79/81/25/1075798125.db2.gz SZRURCLAZVQWIK-SFHVURJKSA-N 1 0 422.411 1.779 20 0 HDADRO C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000804243956 1075799217 /nfs/dbraw/zinc/79/92/17/1075799217.db2.gz OIQDLWVHDJXVCD-JCYILVPMSA-N 1 0 410.559 1.739 20 0 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CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000732624299 1075809773 /nfs/dbraw/zinc/80/97/73/1075809773.db2.gz KYGOMYPJFFLRPK-UHFFFAOYSA-N 1 0 414.597 1.676 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCNC(=O)c2ccccc2Cl)CC1 ZINC000509279042 1075812505 /nfs/dbraw/zinc/81/25/05/1075812505.db2.gz LFMJROMJRNFYOA-UHFFFAOYSA-N 1 0 423.945 1.265 20 0 HDADRO COC(=O)c1c(F)cccc1S(=O)(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611025915 1075812926 /nfs/dbraw/zinc/81/29/26/1075812926.db2.gz LVPZKMJZDGUCNW-HNNXBMFYSA-N 1 0 413.515 1.401 20 0 HDADRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000497637614 1075814109 /nfs/dbraw/zinc/81/41/09/1075814109.db2.gz UQVYWRWBVHUEGU-KBPBESRZSA-N 1 0 402.499 1.866 20 0 HDADRO CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000611036361 1075818194 /nfs/dbraw/zinc/81/81/94/1075818194.db2.gz PAFBEHXSQDXUQL-GOSISDBHSA-N 1 0 424.586 1.101 20 0 HDADRO CCOC(=O)CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000611038055 1075818710 /nfs/dbraw/zinc/81/87/10/1075818710.db2.gz IRMZDRXNAPEQTK-ZWKOTPCHSA-N 1 0 403.527 1.569 20 0 HDADRO COC(=O)c1cccc([C@@H](C(=O)OC)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000611089212 1075827851 /nfs/dbraw/zinc/82/78/51/1075827851.db2.gz LDNWSCWWSBZNIW-UXHICEINSA-N 1 0 403.523 1.789 20 0 HDADRO O=C(CCn1cc[nH]c(=O)c1=O)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000732677851 1075831254 /nfs/dbraw/zinc/83/12/54/1075831254.db2.gz BBBIBGFMRPDCKQ-UHFFFAOYSA-N 1 0 414.550 1.677 20 0 HDADRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000732701138 1075835423 /nfs/dbraw/zinc/83/54/23/1075835423.db2.gz KZYAXEPDOVBWQH-CYBMUJFWSA-N 1 0 412.478 1.332 20 0 HDADRO CCOC(=O)Cn1cccc(NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1=O ZINC000611097645 1075841785 /nfs/dbraw/zinc/84/17/85/1075841785.db2.gz RPXPGWRGQGDXSF-KRWDZBQOSA-N 1 0 419.526 1.044 20 0 HDADRO COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)c1 ZINC000611098487 1075843021 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O=C1NCCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)C12C[NH2+]C2 ZINC001164410711 718878802 /nfs/dbraw/zinc/87/88/02/718878802.db2.gz GEYAHEIKPBGYTM-UHFFFAOYSA-N 1 0 412.563 1.444 20 0 HDADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1 ZINC001164416545 718885231 /nfs/dbraw/zinc/88/52/31/718885231.db2.gz ZBXJIXXJTFGPMF-UHFFFAOYSA-N 1 0 412.828 1.757 20 0 HDADRO CCOC(=O)c1cnc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nc1Cl ZINC001164420035 718912800 /nfs/dbraw/zinc/91/28/00/718912800.db2.gz GBERYRAEURHYLJ-INIZCTEOSA-N 1 0 420.844 1.437 20 0 HDADRO COC(=O)c1cc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)cnc1Cl ZINC001164424483 718913651 /nfs/dbraw/zinc/91/36/51/718913651.db2.gz NWKBIZQNFKKGSE-INIZCTEOSA-N 1 0 405.829 1.652 20 0 HDADRO C[NH+]1CCN(c2ccc(N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)CC4CC4)C3)nn2)CC1 ZINC001164656632 719324065 /nfs/dbraw/zinc/32/40/65/719324065.db2.gz YUANGIUETHRZFR-NPPFBWRTSA-N 1 0 414.554 1.129 20 0 HDADRO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)nc2N1C1CCCC1 ZINC001164667661 719393274 /nfs/dbraw/zinc/39/32/74/719393274.db2.gz OJQBKBHHYYYXSL-NXHRZFHOSA-N 1 0 400.527 1.500 20 0 HDADRO CC(C)N(C)Cc1nn(-c2cc(S(=O)(=O)N3CCCC3)ccn2)c2c1CC[NH2+]C2 ZINC001164679471 719645103 /nfs/dbraw/zinc/64/51/03/719645103.db2.gz BPHOILIWSGSUEJ-UHFFFAOYSA-N 1 0 418.567 1.538 20 0 HDADRO C[NH+]1CCN(c2ccc(N3CCC4(CC3)CN(c3ccccc3)C(=O)CO4)nn2)CC1 ZINC001164697400 719836007 /nfs/dbraw/zinc/83/60/07/719836007.db2.gz XICWSOFVXYWEJT-UHFFFAOYSA-N 1 0 422.533 1.631 20 0 HDADRO COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164700982 719843775 /nfs/dbraw/zinc/84/37/75/719843775.db2.gz LLQLOLVSWQFMMC-DJJJIMSYSA-N 1 0 409.918 1.008 20 0 HDADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001164704425 719865596 /nfs/dbraw/zinc/86/55/96/719865596.db2.gz LXIKTTOUGXJPDG-VLIAUNLRSA-N 1 0 408.930 1.613 20 0 HDADRO O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]21 ZINC001164700765 719884331 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SBGUTRJQNMPRBK-CYBMUJFWSA-N 1 0 417.905 1.351 20 0 HDADRO Cn1nnc2c1CCN(c1cc(Cl)ncc1C(N)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001164713477 720169911 /nfs/dbraw/zinc/16/99/11/720169911.db2.gz LAFPGWXUXRDJDK-INIZCTEOSA-N 1 0 419.917 1.179 20 0 HDADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)NC3CC3)cn1)C2 ZINC001164819924 720171786 /nfs/dbraw/zinc/17/17/86/720171786.db2.gz YYJBGRDJLAPVSM-DYESRHJHSA-N 1 0 420.579 1.707 20 0 HDADRO COC(=O)c1cnc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(F)c1 ZINC001164717046 720177361 /nfs/dbraw/zinc/17/73/61/720177361.db2.gz JRUZBVDTJPKBFF-KRWDZBQOSA-N 1 0 418.473 1.352 20 0 HDADRO C=C(OCC)c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nn1 ZINC001164718736 720182149 /nfs/dbraw/zinc/18/21/49/720182149.db2.gz PXPNUMVYTOKDSW-IBGZPJMESA-N 1 0 413.526 1.829 20 0 HDADRO Cn1nnc2c1CCN(c1c(F)nc(F)nc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164713748 720195491 /nfs/dbraw/zinc/19/54/91/720195491.db2.gz CWQCLTPISMQUFZ-LBPRGKRZSA-N 1 0 413.860 1.753 20 0 HDADRO CC(C)Oc1cncc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164714571 720198146 /nfs/dbraw/zinc/19/81/46/720198146.db2.gz GSOCSGRJZXGRHQ-KRWDZBQOSA-N 1 0 401.515 1.609 20 0 HDADRO Cn1nnc2c1CCN(c1cc(-c3ccccn3)ncn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713855 720198641 /nfs/dbraw/zinc/19/86/41/720198641.db2.gz FDJGWCHGACADTD-HXUWFJFHSA-N 1 0 420.521 1.883 20 0 HDADRO Cc1noc(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc2)n1 ZINC001164717190 720198720 /nfs/dbraw/zinc/19/87/20/720198720.db2.gz UNLIUSPYRGGOQM-GOSISDBHSA-N 1 0 424.509 1.785 20 0 HDADRO Cn1nnc2c1CCN(c1cc(-c3ccncc3)ncn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716710 720198943 /nfs/dbraw/zinc/19/89/43/720198943.db2.gz RTWBWYCVLULQFY-HXUWFJFHSA-N 1 0 420.521 1.883 20 0 HDADRO C[NH+]1CCN(c2cccc(N3Cc4ccnn4C[C@H](C(=O)N4CCCC4)C3)n2)CC1 ZINC001164819842 720266091 /nfs/dbraw/zinc/26/60/91/720266091.db2.gz SLJHZUFRCWCTSD-GOSISDBHSA-N 1 0 409.538 1.289 20 0 HDADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(Cl)c(C(N)=O)n2)CC1 ZINC001164821655 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UQXUYBMKNFKTFE-QZTJIDSGSA-N 1 0 420.521 1.448 20 0 HDADRO CN1c2cnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2N2CCC[C@H]2C1=O ZINC001164721624 720388653 /nfs/dbraw/zinc/38/86/53/720388653.db2.gz ADEPRZRUWPQUNS-KSZLIROESA-N 1 0 405.506 1.670 20 0 HDADRO CC(=O)N(C)Cc1nnc2n1CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164828555 720414232 /nfs/dbraw/zinc/41/42/32/720414232.db2.gz XFNTUONHZGJMHV-UHFFFAOYSA-N 1 0 413.526 1.536 20 0 HDADRO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2nc3c(c(N4CCOCC4)n2)CNC3)c1 ZINC001164735403 720425868 /nfs/dbraw/zinc/42/58/68/720425868.db2.gz XAAUZBKOTRNRGA-VQTJNVASSA-N 1 0 407.522 1.165 20 0 HDADRO COc1nc(N2CCCCCC2)nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164733847 720523284 /nfs/dbraw/zinc/52/32/84/720523284.db2.gz LWMORJCZFLYRQV-INIZCTEOSA-N 1 0 400.531 1.655 20 0 HDADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncccc2S(=O)(=O)N2CCCCC2)C1 ZINC001164734867 720528769 /nfs/dbraw/zinc/52/87/69/720528769.db2.gz SLNYJUFSKKSUQU-KRWDZBQOSA-N 1 0 418.567 1.651 20 0 HDADRO 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1073660262 /nfs/dbraw/zinc/66/02/62/1073660262.db2.gz QTQVKLXLDZRCHI-WWNPGLIZSA-N 1 0 402.583 1.272 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000673729484 1073662138 /nfs/dbraw/zinc/66/21/38/1073662138.db2.gz LKUQQTVOCMYPPB-WBVHZDCISA-N 1 0 400.516 1.947 20 0 HDADRO COCCS(=O)(=O)c1ccc(CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000429121345 1073688957 /nfs/dbraw/zinc/68/89/57/1073688957.db2.gz FXVOISMXBCYKJN-MRXNPFEDSA-N 1 0 411.568 1.978 20 0 HDADRO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+](CCO)CC(C)(C)C)CC1 ZINC000673754900 1073690211 /nfs/dbraw/zinc/69/02/11/1073690211.db2.gz JYHHJHSOTXLSQT-UHFFFAOYSA-N 1 0 418.582 1.727 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)COc1ccc(S(N)(=O)=O)cc1 ZINC000673757542 1073691894 /nfs/dbraw/zinc/69/18/94/1073691894.db2.gz CEAYZEYIHKHCIK-KRWDZBQOSA-N 1 0 417.531 1.836 20 0 HDADRO COc1cc(C(=O)N(C)C)ccc1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000429118688 1073692913 /nfs/dbraw/zinc/69/29/13/1073692913.db2.gz YRAWPAMTZOAKNF-OAHLLOKOSA-N 1 0 405.499 1.106 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)COc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000673757998 1073696606 /nfs/dbraw/zinc/69/66/06/1073696606.db2.gz KGUNHEJIVLOSEB-KRWDZBQOSA-N 1 0 411.911 1.785 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC2(NS(C)(=O)=O)CCCCC2)C1 ZINC000673769391 1073713095 /nfs/dbraw/zinc/71/30/95/1073713095.db2.gz HYVLSBPOLHRFKE-KRWDZBQOSA-N 1 0 418.604 1.381 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1ccc(Cl)cc1 ZINC000673780900 1073717225 /nfs/dbraw/zinc/71/72/25/1073717225.db2.gz FUYCRCVCXDKZJZ-CVEARBPZSA-N 1 0 402.948 1.666 20 0 HDADRO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000673785077 1073729888 /nfs/dbraw/zinc/72/98/88/1073729888.db2.gz NKPCFCUJBDPGNS-HXUWFJFHSA-N 1 0 402.539 1.790 20 0 HDADRO CCN1CCc2ccc(NC(=O)C(=O)N3CC[C@@H](OCC[NH+](CC)CC)C3)cc21 ZINC000673788843 1073735632 /nfs/dbraw/zinc/73/56/32/1073735632.db2.gz BSCVQDFROCDIQL-LJQANCHMSA-N 1 0 402.539 1.967 20 0 HDADRO CC(C)c1nc(S(=O)(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c[nH]1 ZINC000673821695 1073765293 /nfs/dbraw/zinc/76/52/93/1073765293.db2.gz PBQUHYPNEHLCGA-UHFFFAOYSA-N 1 0 405.568 1.971 20 0 HDADRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2F)C1 ZINC000673824590 1073768232 /nfs/dbraw/zinc/76/82/32/1073768232.db2.gz NZWZKXUYNZHBOF-INIZCTEOSA-N 1 0 401.504 1.906 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2F)C1 ZINC000673824591 1073768390 /nfs/dbraw/zinc/76/83/90/1073768390.db2.gz NZWZKXUYNZHBOF-MRXNPFEDSA-N 1 0 401.504 1.906 20 0 HDADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CCCN3c3ncccn3)cc2)CC1 ZINC000673815950 1073771703 /nfs/dbraw/zinc/77/17/03/1073771703.db2.gz GRJFSYYHUQINPX-OAQYLSRUSA-N 1 0 408.550 1.899 20 0 HDADRO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)CCCC[NH+](C)C)CC2)c1 ZINC000673840581 1073804440 /nfs/dbraw/zinc/80/44/40/1073804440.db2.gz ZOETVRLLPJQHDX-UHFFFAOYSA-N 1 0 410.584 1.247 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)N[C@H]2Cc3cccc(O)c3C2)CC1 ZINC000429153719 1073806728 /nfs/dbraw/zinc/80/67/28/1073806728.db2.gz WGARREMDIXYKBD-SFHVURJKSA-N 1 0 416.566 1.985 20 0 HDADRO Cc1cc(C(=O)CN2CCN(c3cc[nH+]cc3)CC2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000673848797 1073814384 /nfs/dbraw/zinc/81/43/84/1073814384.db2.gz OXXQBPLQJZKGBJ-IBGZPJMESA-N 1 0 416.547 1.864 20 0 HDADRO CN(C)c1nc(CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cs1 ZINC000673850229 1073816392 /nfs/dbraw/zinc/81/63/92/1073816392.db2.gz AOQOEFFCKRRSRH-UHFFFAOYSA-N 1 0 418.571 1.401 20 0 HDADRO CCOc1cc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)nc2nc(C(F)(F)F)nn21 ZINC000543492731 1073822026 /nfs/dbraw/zinc/82/20/26/1073822026.db2.gz AXXSVBHNUFRCOH-LBPRGKRZSA-N 1 0 416.404 1.302 20 0 HDADRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c1 ZINC000543494367 1073824222 /nfs/dbraw/zinc/82/42/22/1073824222.db2.gz GAXXFKZHWAYNQE-OALUTQOASA-N 1 0 419.522 1.628 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000673860546 1073828423 /nfs/dbraw/zinc/82/84/23/1073828423.db2.gz ZYWYAEIDCQTJSV-UHFFFAOYSA-N 1 0 409.556 1.275 20 0 HDADRO Cc1cc(NC(=O)CN2CCN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)no1 ZINC000673862361 1073830223 /nfs/dbraw/zinc/83/02/23/1073830223.db2.gz JUUTVSCZMUKFQF-UHFFFAOYSA-N 1 0 410.438 1.352 20 0 HDADRO Cn1ncc2c1ncnc2N1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673864099 1073831758 /nfs/dbraw/zinc/83/17/58/1073831758.db2.gz FYKGCVJMOVKARG-UHFFFAOYSA-N 1 0 404.438 1.298 20 0 HDADRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000543495201 1073831831 /nfs/dbraw/zinc/83/18/31/1073831831.db2.gz FPIHOVFCEGPTAO-HXUWFJFHSA-N 1 0 413.522 1.366 20 0 HDADRO COc1cc(C(=O)N2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)ccc1C ZINC000673870057 1073835565 /nfs/dbraw/zinc/83/55/65/1073835565.db2.gz ZDJFXVKFDZFOIH-UHFFFAOYSA-N 1 0 414.510 1.752 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cn1 ZINC000673870879 1073836328 /nfs/dbraw/zinc/83/63/28/1073836328.db2.gz TUOOLODQQBARRT-UHFFFAOYSA-N 1 0 417.489 1.372 20 0 HDADRO Cn1cccc1C(=O)N1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000673872309 1073838092 /nfs/dbraw/zinc/83/80/92/1073838092.db2.gz DDUZNRXYDICXLV-UHFFFAOYSA-N 1 0 412.494 1.176 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)C1 ZINC000673874285 1073841170 /nfs/dbraw/zinc/84/11/70/1073841170.db2.gz GBGSFVHZXAFDFZ-IXDOHACOSA-N 1 0 406.531 1.513 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cn1 ZINC000673868485 1073846261 /nfs/dbraw/zinc/84/62/61/1073846261.db2.gz ANSVKORRIOIEOY-UHFFFAOYSA-N 1 0 414.510 1.566 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)N2CCN(C(=O)N3CCCCC3)CC2)CC1 ZINC000673881818 1073853895 /nfs/dbraw/zinc/85/38/95/1073853895.db2.gz CIZRNDKCEMAWNS-UHFFFAOYSA-N 1 0 409.575 1.809 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000673884351 1073856700 /nfs/dbraw/zinc/85/67/00/1073856700.db2.gz XGAAJYVJIVBBTJ-UXHICEINSA-N 1 0 400.523 1.682 20 0 HDADRO O=C(Nc1ccc2c(c1)NC(=O)CO2)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000673889306 1073862218 /nfs/dbraw/zinc/86/22/18/1073862218.db2.gz PUGVRGPSZIFFDZ-UHFFFAOYSA-N 1 0 400.479 1.869 20 0 HDADRO CC(C)[C@H](NC(=O)CN1CC[NH+](C(C)(C)CO)CC1)c1ccc2c(c1)OCCO2 ZINC000673894656 1073865272 /nfs/dbraw/zinc/86/52/72/1073865272.db2.gz BOHLBPOGSWGBFG-NRFANRHFSA-N 1 0 405.539 1.660 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000509164514 1073868966 /nfs/dbraw/zinc/86/89/66/1073868966.db2.gz OYQWJLNSQVJVBJ-HZPDHXFCSA-N 1 0 417.597 1.868 20 0 HDADRO Cc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1S(N)(=O)=O ZINC000429161995 1073883143 /nfs/dbraw/zinc/88/31/43/1073883143.db2.gz WYIMJHCILOYZEW-XIKOKIGWSA-N 1 0 409.533 1.935 20 0 HDADRO O=C(C[NH+](C1CCC1)C1CCC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000429162823 1073889143 /nfs/dbraw/zinc/88/91/43/1073889143.db2.gz SWRFZIHVQUJKKC-NRFANRHFSA-N 1 0 413.518 1.904 20 0 HDADRO C[C@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000543507334 1073899082 /nfs/dbraw/zinc/89/90/82/1073899082.db2.gz YIVDKAJPEIEJAC-PKOBYXMFSA-N 1 0 409.552 1.065 20 0 HDADRO CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000014520418 1073901373 /nfs/dbraw/zinc/90/13/73/1073901373.db2.gz FTXYPVVLWMCURL-UHFFFAOYSA-N 1 0 403.508 1.336 20 0 HDADRO CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000014521214 1073901868 /nfs/dbraw/zinc/90/18/68/1073901868.db2.gz PHHPXTCYXSNAON-UHFFFAOYSA-N 1 0 417.535 1.772 20 0 HDADRO CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000014521691 1073913360 /nfs/dbraw/zinc/91/33/60/1073913360.db2.gz KUKMVPIHXHITMT-UHFFFAOYSA-N 1 0 403.508 1.302 20 0 HDADRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 ZINC000673948285 1073919501 /nfs/dbraw/zinc/91/95/01/1073919501.db2.gz NAHXFCADXCEBQC-YWZLYKJASA-N 1 0 415.538 1.299 20 0 HDADRO C[NH+]1CCN(c2ccc(CNC(=O)NCCc3cn4c(n3)SCC4)cn2)CC1 ZINC000466560599 1073921892 /nfs/dbraw/zinc/92/18/92/1073921892.db2.gz AZRCWKIOKWAOLF-UHFFFAOYSA-N 1 0 401.540 1.178 20 0 HDADRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000140786331 1073924539 /nfs/dbraw/zinc/92/45/39/1073924539.db2.gz LTXQZVTUCHVJNL-QGZVFWFLSA-N 1 0 418.542 1.362 20 0 HDADRO CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000429171585 1073925711 /nfs/dbraw/zinc/92/57/11/1073925711.db2.gz OEDMNFZXHXRBQX-UGKGYDQZSA-N 1 0 407.530 1.998 20 0 HDADRO C[C@@]1(c2ccc(C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)cc2)NC(=O)NC1=O ZINC000673963167 1073946690 /nfs/dbraw/zinc/94/66/90/1073946690.db2.gz GGROPKOANXOJNL-UWJYYQICSA-N 1 0 400.479 1.068 20 0 HDADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)NCC(C)(C)N3CC[NH+](C)CC3)C2)c1 ZINC000673970128 1073956103 /nfs/dbraw/zinc/95/61/03/1073956103.db2.gz FSLFGOSFUZBBSJ-QGZVFWFLSA-N 1 0 419.570 1.608 20 0 HDADRO O=C(NC1CCN(c2cccnn2)CC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000429176728 1073958182 /nfs/dbraw/zinc/95/81/82/1073958182.db2.gz PGWNXYDVUBKPEN-UHFFFAOYSA-N 1 0 402.543 1.589 20 0 HDADRO CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000030921587 1073977849 /nfs/dbraw/zinc/97/78/49/1073977849.db2.gz ZNGXINFIQHCMFZ-HDICACEKSA-N 1 0 423.579 1.896 20 0 HDADRO CCn1cnnc1-c1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000543523476 1073981888 /nfs/dbraw/zinc/98/18/88/1073981888.db2.gz WCQDFXVZLRZJKU-MRXNPFEDSA-N 1 0 414.510 1.473 20 0 HDADRO C[C@@]1(c2ccc(C(=O)N3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2)NC(=O)NC1=O ZINC000670444138 1073990724 /nfs/dbraw/zinc/99/07/24/1073990724.db2.gz NYNVJBKXAGVECN-UTKZUKDTSA-N 1 0 400.479 1.068 20 0 HDADRO CSc1nc2nc(C)c(CC(=O)N3CCC[C@H]([NH+]4CCOCC4)CC3)c(C)n2n1 ZINC000670444239 1073991270 /nfs/dbraw/zinc/99/12/70/1073991270.db2.gz XPZSIRAGGQCWEH-INIZCTEOSA-N 1 0 418.567 1.719 20 0 HDADRO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543522644 1073993082 /nfs/dbraw/zinc/99/30/82/1073993082.db2.gz OYGQAZYNACUGGG-RTBURBONSA-N 1 0 407.603 1.740 20 0 HDADRO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000543524278 1073993619 /nfs/dbraw/zinc/99/36/19/1073993619.db2.gz KSDBXBLBPNSCMZ-UHFFFAOYSA-N 1 0 412.494 1.018 20 0 HDADRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000429184371 1074000535 /nfs/dbraw/zinc/00/05/35/1074000535.db2.gz BFZQFASZJWJEBF-LJQANCHMSA-N 1 0 401.559 1.257 20 0 HDADRO CCc1cc(N2CCC(NC(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)ncn1 ZINC000673985675 1074001000 /nfs/dbraw/zinc/00/10/00/1074001000.db2.gz NRYUIQOSEGBLEG-OALUTQOASA-N 1 0 402.543 1.248 20 0 HDADRO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000484452966 1074011412 /nfs/dbraw/zinc/01/14/12/1074011412.db2.gz NXQUIFGALMYAOP-LVCYWYKZSA-N 1 0 407.530 1.373 20 0 HDADRO O=C(NCCc1cn2c(n1)SCC2)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000466582703 1074021198 /nfs/dbraw/zinc/02/11/98/1074021198.db2.gz ASKJPHQCMYKHAT-UHFFFAOYSA-N 1 0 414.579 1.648 20 0 HDADRO C[C@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000674000637 1074041596 /nfs/dbraw/zinc/04/15/96/1074041596.db2.gz RHAFCGWSPLYQHR-OAHLLOKOSA-N 1 0 400.516 1.947 20 0 HDADRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000674003737 1074044856 /nfs/dbraw/zinc/04/48/56/1074044856.db2.gz OBUWPFSDWZDFAR-SFHVURJKSA-N 1 0 411.549 1.695 20 0 HDADRO CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC001299292255 1074047087 /nfs/dbraw/zinc/04/70/87/1074047087.db2.gz UGFDOKHAHMKHSG-WMLDXEAASA-N 1 0 404.540 1.216 20 0 HDADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000466595832 1074050802 /nfs/dbraw/zinc/05/08/02/1074050802.db2.gz JOEPKCVACCWJJO-SFHVURJKSA-N 1 0 420.945 1.271 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN[C@@H](C)c2noc(Cc3ccccc3)n2)C1 ZINC000543544913 1074060098 /nfs/dbraw/zinc/06/00/98/1074060098.db2.gz LVVWPOQWVZGUGA-HKUYNNGSSA-N 1 0 415.538 1.784 20 0 HDADRO COc1cc2c(cc1OC)CN(CCNC(=O)N[C@@H]1C[N@@H+](C3CC3)C[C@@H]1C)CC2 ZINC000466600201 1074065016 /nfs/dbraw/zinc/06/50/16/1074065016.db2.gz WTTYVKXYWHCVLU-HNAYVOBHSA-N 1 0 402.539 1.844 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@H](NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1=O ZINC000466603793 1074068816 /nfs/dbraw/zinc/06/88/16/1074068816.db2.gz GECSCSXEAFNPQO-CQDKDKBSSA-N 1 0 406.508 1.422 20 0 HDADRO CNC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001299292917 1074069066 /nfs/dbraw/zinc/06/90/66/1074069066.db2.gz WTQWMENJFPXHJX-QGZVFWFLSA-N 1 0 405.547 1.323 20 0 HDADRO Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000229083937 1074077921 /nfs/dbraw/zinc/07/79/21/1074077921.db2.gz AUSLGVNCSFHEOV-QUCCMNQESA-N 1 0 416.566 1.843 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000509201420 1074078752 /nfs/dbraw/zinc/07/87/52/1074078752.db2.gz DPYMKMQEUSYCJL-UHFFFAOYSA-N 1 0 401.554 1.257 20 0 HDADRO CCn1nc(NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cc1C1CC1 ZINC000429202869 1074080772 /nfs/dbraw/zinc/08/07/72/1074080772.db2.gz GNNKPQFODLPECN-UHFFFAOYSA-N 1 0 412.542 2.294 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)C2=O)c1 ZINC000466610197 1074090204 /nfs/dbraw/zinc/09/02/04/1074090204.db2.gz WQLRSKJVUOTSHY-VMDGZTHMSA-N 1 0 402.495 1.591 20 0 HDADRO C[C@H]1CC(=O)NCCN1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000674032882 1074091894 /nfs/dbraw/zinc/09/18/94/1074091894.db2.gz BLGNUVVKXFBLJH-SFHVURJKSA-N 1 0 402.539 1.978 20 0 HDADRO C[NH+]1CCN(c2cc(CNC(=O)N3CCC[C@@H]3[C@H](O)C(F)(F)F)ccn2)CC1 ZINC000429205845 1074106668 /nfs/dbraw/zinc/10/66/68/1074106668.db2.gz SNJRGGZEYJHWAN-ZBFHGGJFSA-N 1 0 401.433 1.431 20 0 HDADRO O=C(Nc1ccc(OCC(F)F)cc1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000674038432 1074110902 /nfs/dbraw/zinc/11/09/02/1074110902.db2.gz CVHANKWZFJIFDO-KRWDZBQOSA-N 1 0 411.449 1.982 20 0 HDADRO CCOc1cc(C[NH2+]CC(C)(C)S(C)(=O)=O)ccc1O[C@H](C)C(=O)N(C)C ZINC000674045185 1074137995 /nfs/dbraw/zinc/13/79/95/1074137995.db2.gz QMIJVNWZFBFRBE-CQSZACIVSA-N 1 0 400.541 1.854 20 0 HDADRO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)ccc1S(N)(=O)=O ZINC000674097584 1074181767 /nfs/dbraw/zinc/18/17/67/1074181767.db2.gz JYMLKMGZYGQAIU-UHFFFAOYSA-N 1 0 417.531 1.529 20 0 HDADRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000674136699 1074193213 /nfs/dbraw/zinc/19/32/13/1074193213.db2.gz OAVQJXCUZBLGFU-WBAXXEDZSA-N 1 0 407.536 1.641 20 0 HDADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N(CCO)[C@H]1CCCc2ccccc21 ZINC000674160211 1074196696 /nfs/dbraw/zinc/19/66/96/1074196696.db2.gz RWLKSMPHOSTRSE-UNMCSNQZSA-N 1 0 416.566 1.474 20 0 HDADRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000674168481 1074201515 /nfs/dbraw/zinc/20/15/15/1074201515.db2.gz GCRZWFVANLWZBJ-HKUYNNGSSA-N 1 0 423.583 1.031 20 0 HDADRO O=C(Nc1ccc2c(c1)NC(=O)CC2)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000674191072 1074204317 /nfs/dbraw/zinc/20/43/17/1074204317.db2.gz YDVFYGQKADRRCC-QGZVFWFLSA-N 1 0 400.479 1.223 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000674229432 1074235943 /nfs/dbraw/zinc/23/59/43/1074235943.db2.gz ZSBFACASQHSWCU-SFHVURJKSA-N 1 0 418.538 1.136 20 0 HDADRO CSc1ccncc1NC(=O)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000674273193 1074252281 /nfs/dbraw/zinc/25/22/81/1074252281.db2.gz VCKGPBLGQRKUGF-UHFFFAOYSA-N 1 0 415.519 1.350 20 0 HDADRO CO[C@@H](C)c1noc(CN2CCCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)n1 ZINC000674274576 1074254005 /nfs/dbraw/zinc/25/40/05/1074254005.db2.gz RVBBETNMWPWCRA-DOTOQJQBSA-N 1 0 406.531 1.479 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000674295904 1074258934 /nfs/dbraw/zinc/25/89/34/1074258934.db2.gz WIZHAZUOQOIFAT-INIZCTEOSA-N 1 0 405.518 1.507 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000674300663 1074264673 /nfs/dbraw/zinc/26/46/73/1074264673.db2.gz WNGLILOEPGTRAD-HXUWFJFHSA-N 1 0 417.550 1.987 20 0 HDADRO COC1CC[NH+](CCNC(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC1 ZINC000674317044 1074265511 /nfs/dbraw/zinc/26/55/11/1074265511.db2.gz PGLKQCCZUZAFLN-UHFFFAOYSA-N 1 0 421.523 1.508 20 0 HDADRO COC1CC[NH+](CCNC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)CC1 ZINC000674316570 1074265971 /nfs/dbraw/zinc/26/59/71/1074265971.db2.gz KMPKSUOWCKZINK-UHFFFAOYSA-N 1 0 410.540 1.668 20 0 HDADRO COC1CC[NH+](CCNC(=O)CSc2nnc(C)n2Cc2ccccc2)CC1 ZINC000674310172 1074267455 /nfs/dbraw/zinc/26/74/55/1074267455.db2.gz VFKAGJBMVXMOKN-UHFFFAOYSA-N 1 0 403.552 1.954 20 0 HDADRO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000674310990 1074268469 /nfs/dbraw/zinc/26/84/69/1074268469.db2.gz QZAZNRBUHQJORB-LJQANCHMSA-N 1 0 403.523 1.917 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)CC1 ZINC000674320358 1074270974 /nfs/dbraw/zinc/27/09/74/1074270974.db2.gz FXPVSBUMBZCMAF-UHFFFAOYSA-N 1 0 417.485 1.794 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000674321253 1074271385 /nfs/dbraw/zinc/27/13/85/1074271385.db2.gz RTUMKQPCWIXOPC-LJQANCHMSA-N 1 0 405.495 1.410 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)CC1 ZINC000674321669 1074271405 /nfs/dbraw/zinc/27/14/05/1074271405.db2.gz ZVGRANBPHVFLFC-UHFFFAOYSA-N 1 0 402.495 1.053 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC000674321510 1074271779 /nfs/dbraw/zinc/27/17/79/1074271779.db2.gz UQSSLWNJJJYHPZ-UHFFFAOYSA-N 1 0 405.886 1.691 20 0 HDADRO COC1CC[NH+](CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000674324208 1074272695 /nfs/dbraw/zinc/27/26/95/1074272695.db2.gz BHFMPNGEYRKVQJ-UHFFFAOYSA-N 1 0 423.579 1.623 20 0 HDADRO COC1CC[NH+](CCNC(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000674323638 1074273419 /nfs/dbraw/zinc/27/34/19/1074273419.db2.gz HVXITUNEGSEUTI-UHFFFAOYSA-N 1 0 411.568 1.507 20 0 HDADRO COCc1nc2sc(C(=O)NCC[NH+]3CCC(OC)CC3)c(C)c2c(OC)n1 ZINC000674324919 1074274293 /nfs/dbraw/zinc/27/42/93/1074274293.db2.gz IODVEOKLSOZCHH-UHFFFAOYSA-N 1 0 408.524 1.995 20 0 HDADRO CCn1c(=O)[nH]c(=O)c2c(C(=O)NCC[NH+]3CCC(OC)CC3)cc(C(C)C)nc21 ZINC000674324907 1074274326 /nfs/dbraw/zinc/27/43/26/1074274326.db2.gz IGJVHHBCNQVVCO-UHFFFAOYSA-N 1 0 417.510 1.481 20 0 HDADRO COC1CC[NH+](CCNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000674325502 1074275893 /nfs/dbraw/zinc/27/58/93/1074275893.db2.gz UNNTZEYTIAMYDD-UHFFFAOYSA-N 1 0 403.504 1.576 20 0 HDADRO COC1CC[NH+](CCNC(=O)CC[C@H]2NC(=O)N(c3cccc(C)c3)C2=O)CC1 ZINC000674325400 1074276370 /nfs/dbraw/zinc/27/63/70/1074276370.db2.gz PGETZRAQCAPXRU-GOSISDBHSA-N 1 0 402.495 1.427 20 0 HDADRO COC1CC[NH+](CCNC(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000674327560 1074277389 /nfs/dbraw/zinc/27/73/89/1074277389.db2.gz VXYAMFOSEABVJH-UHFFFAOYSA-N 1 0 409.531 1.041 20 0 HDADRO COC1CC[NH+](CCNC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000674329958 1074278964 /nfs/dbraw/zinc/27/89/64/1074278964.db2.gz WIKSZDNUKAMPNR-KRWDZBQOSA-N 1 0 404.511 1.076 20 0 HDADRO CC(C)(C(N)=O)N1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000674329680 1074279080 /nfs/dbraw/zinc/27/90/80/1074279080.db2.gz KABOAGOYCWEPDP-LJQANCHMSA-N 1 0 401.555 1.805 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)CC1 ZINC000674321014 1074282486 /nfs/dbraw/zinc/28/24/86/1074282486.db2.gz RHWJCHDGRAODED-UHFFFAOYSA-N 1 0 413.522 1.928 20 0 HDADRO CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCC(OC)CC2)cc1 ZINC000674320795 1074282968 /nfs/dbraw/zinc/28/29/68/1074282968.db2.gz NJXONBYVEWGYTL-UHFFFAOYSA-N 1 0 404.511 1.334 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)CC1 ZINC000674320793 1074283038 /nfs/dbraw/zinc/28/30/38/1074283038.db2.gz NEKKFHIZMCGTSG-UHFFFAOYSA-N 1 0 404.511 1.837 20 0 HDADRO CC[NH+]1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000674332231 1074286209 /nfs/dbraw/zinc/28/62/09/1074286209.db2.gz UDJTYGPMZZCNRW-UHFFFAOYSA-N 1 0 401.554 1.138 20 0 HDADRO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000674331608 1074286302 /nfs/dbraw/zinc/28/63/02/1074286302.db2.gz HTMSTBFOQMPELG-LPHOPBHVSA-N 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401.898 2.327 20 0 HDADRO COCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC000675139878 1074729617 /nfs/dbraw/zinc/72/96/17/1074729617.db2.gz DFVNUALLMIIYBO-INIZCTEOSA-N 1 0 402.499 1.892 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000477031225 1074729865 /nfs/dbraw/zinc/72/98/65/1074729865.db2.gz GXZMJPJZDQPUBX-KRWDZBQOSA-N 1 0 417.554 1.052 20 0 HDADRO COC(=O)CCc1nnc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000531301340 1074730649 /nfs/dbraw/zinc/73/06/49/1074730649.db2.gz YSSNCUJWKZEZPC-UHFFFAOYSA-N 1 0 403.508 1.643 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000675125315 1074730980 /nfs/dbraw/zinc/73/09/80/1074730980.db2.gz ATMNQBDRDAEWHA-UHFFFAOYSA-N 1 0 402.264 1.754 20 0 HDADRO Cc1nn(C)c2ncc(NC(=O)C(=O)N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)cc12 ZINC000675126851 1074731508 /nfs/dbraw/zinc/73/15/08/1074731508.db2.gz PJETUEDZXFILGB-KSSFIOAISA-N 1 0 406.490 1.994 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(N3CCCCC3)nc2)CC1 ZINC000509311158 1074731769 /nfs/dbraw/zinc/73/17/69/1074731769.db2.gz QUWPVGFCZGHXEC-UHFFFAOYSA-N 1 0 416.570 1.768 20 0 HDADRO COC(=O)CNC(=O)c1ccc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000486668508 1074733118 /nfs/dbraw/zinc/73/31/18/1074733118.db2.gz WRBTZIIIDYEBMK-UHFFFAOYSA-N 1 0 414.466 1.697 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[C@@H](CO)CC3)c(C)c2)CC1 ZINC000675127593 1074733380 /nfs/dbraw/zinc/73/33/80/1074733380.db2.gz ZBENJTWUKLBXJK-HDICACEKSA-N 1 0 402.539 1.743 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)nn1-c1ccccc1 ZINC000540053255 1074737139 /nfs/dbraw/zinc/73/71/39/1074737139.db2.gz ATVVIDBHRSYTNQ-UHFFFAOYSA-N 1 0 424.549 1.794 20 0 HDADRO CN(CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cn1 ZINC000675143567 1074742757 /nfs/dbraw/zinc/74/27/57/1074742757.db2.gz AYZWMDCBTMJMIX-HNNXBMFYSA-N 1 0 402.948 1.139 20 0 HDADRO Cn1cc(-c2cncc(C(=O)N(CCC[NH+](C)C)[C@H]3CCS(=O)(=O)C3)c2)cn1 ZINC000675144942 1074743078 /nfs/dbraw/zinc/74/30/78/1074743078.db2.gz WUFROCNKZXHOAF-SFHVURJKSA-N 1 0 405.524 1.063 20 0 HDADRO Cc1cc(NC(=O)C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)nn1C ZINC000439480434 1074743089 /nfs/dbraw/zinc/74/30/89/1074743089.db2.gz CYIPOCAOMDPEMH-UHFFFAOYSA-N 1 0 411.550 2.518 20 0 HDADRO C[NH+](C)CCCN(C(=O)c1cccc(Nc2ncccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000675144726 1074743279 /nfs/dbraw/zinc/74/32/79/1074743279.db2.gz UORWPQNVJZVPOA-GOSISDBHSA-N 1 0 417.535 1.801 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000675164788 1074746310 /nfs/dbraw/zinc/74/63/10/1074746310.db2.gz JLRRRUQGRYTXCR-BBWFWOEESA-N 1 0 406.531 1.515 20 0 HDADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000501647490 1074746962 /nfs/dbraw/zinc/74/69/62/1074746962.db2.gz XCIBVJFKUIVDSC-LPHOPBHVSA-N 1 0 401.507 1.114 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000675158110 1074747718 /nfs/dbraw/zinc/74/77/18/1074747718.db2.gz RGLSISJSHZHQDW-KRWDZBQOSA-N 1 0 403.527 1.953 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000675175513 1074749323 /nfs/dbraw/zinc/74/93/23/1074749323.db2.gz GBFIVEPHRQJCPT-SFHVURJKSA-N 1 0 424.567 1.381 20 0 HDADRO COC(=O)Cn1ccc(NC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000483164398 1074751724 /nfs/dbraw/zinc/75/17/24/1074751724.db2.gz ZQBGEGUQXUBGTL-UHFFFAOYSA-N 1 0 420.901 1.653 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(F)c(S(=O)(=O)Cc4ncon4)c3)CC[C@H]21 ZINC000766096151 1074751668 /nfs/dbraw/zinc/75/16/68/1074751668.db2.gz HDAJISIPRZWPBB-GDBMZVCRSA-N 1 0 422.482 1.739 20 0 HDADRO COC(=O)Cn1ccc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)n1 ZINC000469660576 1074752360 /nfs/dbraw/zinc/75/23/60/1074752360.db2.gz JRLMBCULRNWTFX-CQSZACIVSA-N 1 0 413.400 2.499 20 0 HDADRO O=C(NCCCc1ccc2c(c1)OCCO2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000675191606 1074752896 /nfs/dbraw/zinc/75/28/96/1074752896.db2.gz SVYIWSWYKARGLX-IBGZPJMESA-N 1 0 418.538 1.096 20 0 HDADRO COC(=O)Cn1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)n1 ZINC000499894218 1074752980 /nfs/dbraw/zinc/75/29/80/1074752980.db2.gz FGMSMPLGZUVBGG-QAPCUYQASA-N 1 0 421.885 1.903 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCCc3ccc4c(c3)OCCO4)CC2)C1 ZINC000675201808 1074756315 /nfs/dbraw/zinc/75/63/15/1074756315.db2.gz NHOSXEXSTLGVEL-LJQANCHMSA-N 1 0 402.539 1.812 20 0 HDADRO CC(C)[C@H](CNC(=O)Nc1ccccc1CN1CCNC1=O)[NH+]1CCN(C)CC1 ZINC000543616636 1074758264 /nfs/dbraw/zinc/75/82/64/1074758264.db2.gz JZKJLYNCVSDIOO-IBGZPJMESA-N 1 0 402.543 1.605 20 0 HDADRO C[NH+](C)C1CCN(CCNC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000466667170 1074760582 /nfs/dbraw/zinc/76/05/82/1074760582.db2.gz OHKFKTWPZHJFTJ-UHFFFAOYSA-N 1 0 400.523 1.676 20 0 HDADRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766100333 1074770037 /nfs/dbraw/zinc/77/00/37/1074770037.db2.gz ZXOGILWLEFEQLQ-TYNCELHUSA-N 1 0 410.583 1.175 20 0 HDADRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766100330 1074770122 /nfs/dbraw/zinc/77/01/22/1074770122.db2.gz ZXOGILWLEFEQLQ-LALPHHSUSA-N 1 0 410.583 1.175 20 0 HDADRO COCC(C)(C)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000429243931 1074771195 /nfs/dbraw/zinc/77/11/95/1074771195.db2.gz IJSDIORTQGPKQN-UHFFFAOYSA-N 1 0 419.494 1.155 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000675264971 1074774683 /nfs/dbraw/zinc/77/46/83/1074774683.db2.gz XJOAPHVOOKQHBP-INIZCTEOSA-N 1 0 417.554 1.105 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000477074758 1074779633 /nfs/dbraw/zinc/77/96/33/1074779633.db2.gz YDIZIGIDWPIJEG-OALUTQOASA-N 1 0 403.571 1.160 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000477074761 1074779696 /nfs/dbraw/zinc/77/96/96/1074779696.db2.gz YDIZIGIDWPIJEG-RBUKOAKNSA-N 1 0 403.571 1.160 20 0 HDADRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)C1 ZINC000675290920 1074782177 /nfs/dbraw/zinc/78/21/77/1074782177.db2.gz FHORCWHLIYRHBK-MSOLQXFVSA-N 1 0 404.486 1.032 20 0 HDADRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc2n(n1)CCCC2 ZINC000564496722 1074783148 /nfs/dbraw/zinc/78/31/48/1074783148.db2.gz KLVXWSOKPHCTTH-IBGZPJMESA-N 1 0 409.534 2.576 20 0 HDADRO O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000675296222 1074790277 /nfs/dbraw/zinc/79/02/77/1074790277.db2.gz AODXMLIZKOHHHE-WMLDXEAASA-N 1 0 420.460 1.273 20 0 HDADRO CC(C)(CNC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O)C[NH+]1CCCC1 ZINC000675295800 1074790368 /nfs/dbraw/zinc/79/03/68/1074790368.db2.gz QHEVERKKKPZKNK-INIZCTEOSA-N 1 0 422.476 1.425 20 0 HDADRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675297690 1074791207 /nfs/dbraw/zinc/79/12/07/1074791207.db2.gz QKHMKBYRPJQVLZ-PBHICJAKSA-N 1 0 420.460 1.319 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000477092736 1074791399 /nfs/dbraw/zinc/79/13/99/1074791399.db2.gz CSKZOFFIIKCUOY-VQIMIIECSA-N 1 0 424.973 1.676 20 0 HDADRO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000675304969 1074792929 /nfs/dbraw/zinc/79/29/29/1074792929.db2.gz VVFYOUOIUOROEH-DOTOQJQBSA-N 1 0 404.898 1.162 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675318208 1074797724 /nfs/dbraw/zinc/79/77/24/1074797724.db2.gz UNOBYBBWBDMZJR-NVXWUHKLSA-N 1 0 406.914 1.552 20 0 HDADRO C[C@]1(c2ccccc2)CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCO1 ZINC000675310171 1074800529 /nfs/dbraw/zinc/80/05/29/1074800529.db2.gz TZELIWYAMDAKBI-IFMALSPDSA-N 1 0 402.539 1.350 20 0 HDADRO O=C(NCc1ccc(OCC(F)(F)F)nc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000524351540 1074807824 /nfs/dbraw/zinc/80/78/24/1074807824.db2.gz CADRDCCBRYNMDA-UHFFFAOYSA-N 1 0 420.351 1.858 20 0 HDADRO Cc1cc(NC(=O)C2CCN(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)no1 ZINC000522999552 1074808020 /nfs/dbraw/zinc/80/80/20/1074808020.db2.gz IYPDTRRTZSINEX-INIZCTEOSA-N 1 0 419.526 1.844 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)CC[C@@H]21 ZINC000766112367 1074819051 /nfs/dbraw/zinc/81/90/51/1074819051.db2.gz JLFGTTFIFLJTES-RTWAWAEBSA-N 1 0 414.550 1.884 20 0 HDADRO CC(C)N1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2S1(=O)=O ZINC000766114358 1074821055 /nfs/dbraw/zinc/82/10/55/1074821055.db2.gz SSXWCZHEJRXIRM-DOTOQJQBSA-N 1 0 405.520 1.796 20 0 HDADRO CCc1ccc(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)cc1S(C)(=O)=O ZINC000766160033 1075094348 /nfs/dbraw/zinc/09/43/48/1075094348.db2.gz CZBJIKRBLOWOKL-UHFFFAOYSA-N 1 0 408.520 1.552 20 0 HDADRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000555940641 1075095843 /nfs/dbraw/zinc/09/58/43/1075095843.db2.gz VWCWDOFCDGPBQS-UHFFFAOYSA-N 1 0 422.327 2.421 20 0 HDADRO COc1ncc(NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C(N)=O ZINC000429334394 1075098209 /nfs/dbraw/zinc/09/82/09/1075098209.db2.gz MUKNXBOSLWUCNS-OAQYLSRUSA-N 1 0 413.478 1.290 20 0 HDADRO C[C@H](CNC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000509330864 1075111540 /nfs/dbraw/zinc/11/15/40/1075111540.db2.gz JDSDDCAVOJKXDR-GUDVDZBRSA-N 1 0 407.603 1.881 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000509328650 1075113009 /nfs/dbraw/zinc/11/30/09/1075113009.db2.gz STHUGOSQZWJRHH-HDICACEKSA-N 1 0 411.591 1.070 20 0 HDADRO CCOC(=O)C1CCC(O)(C[NH+]2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000429340697 1075121652 /nfs/dbraw/zinc/12/16/52/1075121652.db2.gz KFLPABPNKUOEHN-LHKABPNQSA-N 1 0 423.598 1.783 20 0 HDADRO CCOC(=O)C1CCC(O)(C[NH+]2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000429340698 1075121787 /nfs/dbraw/zinc/12/17/87/1075121787.db2.gz KFLPABPNKUOEHN-TVJQWHPQSA-N 1 0 423.598 1.783 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000509332519 1075128246 /nfs/dbraw/zinc/12/82/46/1075128246.db2.gz UKLDNNLXSVXGLL-UHFFFAOYSA-N 1 0 403.527 1.084 20 0 HDADRO CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000675413094 1075137073 /nfs/dbraw/zinc/13/70/73/1075137073.db2.gz KJVFHTFIGIFOTE-MRXNPFEDSA-N 1 0 410.877 1.255 20 0 HDADRO CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000675433595 1075144020 /nfs/dbraw/zinc/14/40/20/1075144020.db2.gz YZTSKXBQPSIWKM-MRXNPFEDSA-N 1 0 410.877 1.255 20 0 HDADRO COCCCn1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n1 ZINC000443838646 1075147961 /nfs/dbraw/zinc/14/79/61/1075147961.db2.gz UOFNLAYNHMQQLR-LPHOPBHVSA-N 1 0 401.511 1.974 20 0 HDADRO O=C(Nc1ccn(-c2ccc(Br)cc2)n1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000559643240 1075150467 /nfs/dbraw/zinc/15/04/67/1075150467.db2.gz BPPHBVKGZIDMGB-ZDUSSCGKSA-N 1 0 418.295 1.926 20 0 HDADRO CNC(=O)COc1cccc(CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)c1 ZINC000509339243 1075152333 /nfs/dbraw/zinc/15/23/33/1075152333.db2.gz VAGAZBXSGHDMKI-UHFFFAOYSA-N 1 0 412.490 1.170 20 0 HDADRO O=C(Nc1ccn(-c2ccccc2)n1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000498629245 1075156165 /nfs/dbraw/zinc/15/61/65/1075156165.db2.gz GGTALBPNDBRYOF-UHFFFAOYSA-N 1 0 404.474 1.987 20 0 HDADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000675457951 1075156595 /nfs/dbraw/zinc/15/65/95/1075156595.db2.gz BHHBZTYWKKIOKN-SUMWQHHRSA-N 1 0 424.904 1.501 20 0 HDADRO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000543629210 1075159362 /nfs/dbraw/zinc/15/93/62/1075159362.db2.gz JQPMCVOKVUARCS-QVOMUQBLSA-N 1 0 402.557 1.416 20 0 HDADRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)o1 ZINC000766140867 1075159901 /nfs/dbraw/zinc/15/99/01/1075159901.db2.gz LNZJKQLLHJAIIO-BBRMVZONSA-N 1 0 416.521 1.698 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[C@]1(CO)Cc1ccccc1 ZINC000475436922 1075164341 /nfs/dbraw/zinc/16/43/41/1075164341.db2.gz FGFUKASWHDBBIB-JOCHJYFZSA-N 1 0 405.458 1.802 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000571432089 1075164706 /nfs/dbraw/zinc/16/47/06/1075164706.db2.gz QTHBVBZIIKCDPO-AQNXPRMDSA-N 1 0 417.469 2.237 20 0 HDADRO CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001299295683 1075164747 /nfs/dbraw/zinc/16/47/47/1075164747.db2.gz IIHOOXJIPJVWNB-NVXWUHKLSA-N 1 0 410.588 1.404 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000766143507 1075169569 /nfs/dbraw/zinc/16/95/69/1075169569.db2.gz FIHNYHQQQDUBOE-MRXNPFEDSA-N 1 0 401.479 1.421 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000766143505 1075169620 /nfs/dbraw/zinc/16/96/20/1075169620.db2.gz FIHNYHQQQDUBOE-INIZCTEOSA-N 1 0 401.479 1.421 20 0 HDADRO COC[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(Cl)cc1 ZINC000675477386 1075169932 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O=C(Nc1ccn(CCc2ccncc2)n1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000468433988 1075192678 /nfs/dbraw/zinc/19/26/78/1075192678.db2.gz DBWLLAWVBIFINK-UHFFFAOYSA-N 1 0 410.522 1.794 20 0 HDADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1noc(-c2ccccc2)n1 ZINC000675537268 1075193749 /nfs/dbraw/zinc/19/37/49/1075193749.db2.gz OSOLOCCNPPWKLD-FUHWJXTLSA-N 1 0 414.510 1.503 20 0 HDADRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000675536942 1075194137 /nfs/dbraw/zinc/19/41/37/1075194137.db2.gz QICWYCWCIKMYQB-HNNXBMFYSA-N 1 0 413.565 1.516 20 0 HDADRO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC1CC[NH+]([C@@H]3CCOC3)CC1)C2=O ZINC000675537181 1075194310 /nfs/dbraw/zinc/19/43/10/1075194310.db2.gz YKQSRFFOBIMIEZ-JLDZCNIISA-N 1 0 420.554 1.493 20 0 HDADRO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000675538019 1075194881 /nfs/dbraw/zinc/19/48/81/1075194881.db2.gz PKDNUWXVYMHYEE-QGZVFWFLSA-N 1 0 409.552 1.747 20 0 HDADRO CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000675538092 1075195245 /nfs/dbraw/zinc/19/52/45/1075195245.db2.gz COFNPQWLIYVSFZ-GOSISDBHSA-N 1 0 409.552 1.699 20 0 HDADRO COCC[C@@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccc(C)o1 ZINC000427309461 1075196171 /nfs/dbraw/zinc/19/61/71/1075196171.db2.gz PQKLZPVXHQDQPI-MRXNPFEDSA-N 1 0 403.483 1.884 20 0 HDADRO C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000675558433 1075202200 /nfs/dbraw/zinc/20/22/00/1075202200.db2.gz KMFQCMHKHWXNQW-IBGZPJMESA-N 1 0 414.554 1.424 20 0 HDADRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)C1 ZINC000446750306 1075202804 /nfs/dbraw/zinc/20/28/04/1075202804.db2.gz GHARLRADSVMYNT-OAHLLOKOSA-N 1 0 402.474 1.844 20 0 HDADRO CC(C)[N@H+](CCO)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000675570805 1075208681 /nfs/dbraw/zinc/20/86/81/1075208681.db2.gz CTZAAKVUWLXCPB-IYBDPMFKSA-N 1 0 413.540 1.126 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1=O ZINC000675572761 1075208946 /nfs/dbraw/zinc/20/89/46/1075208946.db2.gz CLAAAUDLECXIPV-CEXWTWQISA-N 1 0 404.555 1.227 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000550417889 1075213609 /nfs/dbraw/zinc/21/36/09/1075213609.db2.gz WDWZJSCVCVNYNP-UHFFFAOYSA-N 1 0 420.311 2.174 20 0 HDADRO O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000675584851 1075214009 /nfs/dbraw/zinc/21/40/09/1075214009.db2.gz LHAINJCEJBHGCC-FQEVSTJZSA-N 1 0 411.506 1.781 20 0 HDADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000675585814 1075215697 /nfs/dbraw/zinc/21/56/97/1075215697.db2.gz DLGYJNBPCPTMAS-UHFFFAOYSA-N 1 0 424.549 1.556 20 0 HDADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000426961373 1075219473 /nfs/dbraw/zinc/21/94/73/1075219473.db2.gz ZRBYTQVMKAZCCI-ZWKOTPCHSA-N 1 0 419.570 2.532 20 0 HDADRO C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000675602552 1075220028 /nfs/dbraw/zinc/22/00/28/1075220028.db2.gz FXTMVUHJWJTAJL-SFHVURJKSA-N 1 0 416.522 1.473 20 0 HDADRO Cc1cc(NC(=O)CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000429363537 1075228285 /nfs/dbraw/zinc/22/82/85/1075228285.db2.gz PYLAIFQSOJNKMW-YJBOKZPZSA-N 1 0 423.583 1.296 20 0 HDADRO COC(=O)c1cccc(CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC000466690427 1075231422 /nfs/dbraw/zinc/23/14/22/1075231422.db2.gz KKNISXNDPXJOTB-UHFFFAOYSA-N 1 0 424.501 1.476 20 0 HDADRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3cnn(C[C@H]4CCCO4)c3)CC2)CC1 ZINC000675594065 1075231757 /nfs/dbraw/zinc/23/17/57/1075231757.db2.gz OIMHCGPIOIZHBI-NKELODKYSA-N 1 0 403.527 1.724 20 0 HDADRO CC[NH+]1CCN(Cc2ccccc2CNc2ccc(S(=O)(=O)NC)cn2)CC1 ZINC000486972748 1075233298 /nfs/dbraw/zinc/23/32/98/1075233298.db2.gz WECUYYYNFJMSFK-UHFFFAOYSA-N 1 0 403.552 1.739 20 0 HDADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Nc2ccn(CC(=O)OC)n2)CC1 ZINC000469922126 1075234744 /nfs/dbraw/zinc/23/47/44/1075234744.db2.gz YFOKFFJFOXJBBA-UHFFFAOYSA-N 1 0 420.901 2.495 20 0 HDADRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1 ZINC000441991700 1075237677 /nfs/dbraw/zinc/23/76/77/1075237677.db2.gz ZUQCQIKSYQLLNY-MSOLQXFVSA-N 1 0 411.506 1.964 20 0 HDADRO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](CS(C)(=O)=O)C1 ZINC000429369769 1075239746 /nfs/dbraw/zinc/23/97/46/1075239746.db2.gz YTGYJCZHBFDVLW-HKUYNNGSSA-N 1 0 407.580 1.522 20 0 HDADRO CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000428259921 1075247196 /nfs/dbraw/zinc/24/71/96/1075247196.db2.gz KSZSPRQGNBDPQH-UHFFFAOYSA-N 1 0 405.524 2.009 20 0 HDADRO CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)[NH+](C)C ZINC000675649576 1075247197 /nfs/dbraw/zinc/24/71/97/1075247197.db2.gz NUNFMWNDGOGRCH-HNNXBMFYSA-N 1 0 412.556 1.664 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)CC1 ZINC000543642023 1075251073 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HDADRO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000731850308 1075532530 /nfs/dbraw/zinc/53/25/30/1075532530.db2.gz UVHLEMNCADZCOL-QGZVFWFLSA-N 1 0 419.526 1.051 20 0 HDADRO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000676359409 1075532836 /nfs/dbraw/zinc/53/28/36/1075532836.db2.gz QDZJHGCFIIZDAP-IAGOWNOFSA-N 1 0 414.506 1.423 20 0 HDADRO COc1ccc(N2C[C@@H](C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC2=O)c(OC)c1 ZINC000676394021 1075541411 /nfs/dbraw/zinc/54/14/11/1075541411.db2.gz WKHDHWZAEFQACR-DOTOQJQBSA-N 1 0 417.506 1.426 20 0 HDADRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000676419141 1075548987 /nfs/dbraw/zinc/54/89/87/1075548987.db2.gz RJWWKVJJSJTBLO-LJQANCHMSA-N 1 0 417.941 1.857 20 0 HDADRO CSCc1cc(F)ccc1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427589547 1075553269 /nfs/dbraw/zinc/55/32/69/1075553269.db2.gz ZTCQENQYJDJBJI-UHFFFAOYSA-N 1 0 419.526 2.407 20 0 HDADRO Cc1c(C(=O)Nc2cc(-c3nccn3C)n[nH]2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000676454450 1075559457 /nfs/dbraw/zinc/55/94/57/1075559457.db2.gz LAQBZNROTKGRMS-UHFFFAOYSA-N 1 0 417.477 1.940 20 0 HDADRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000731900273 1075562559 /nfs/dbraw/zinc/56/25/59/1075562559.db2.gz MQOMBSHZXFZQGW-HNNXBMFYSA-N 1 0 409.918 1.509 20 0 HDADRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000731899990 1075562854 /nfs/dbraw/zinc/56/28/54/1075562854.db2.gz ZXSZRQWPOGYNDG-OAHLLOKOSA-N 1 0 400.501 1.101 20 0 HDADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3(OCc4ccccc4)CCOCC3)CC2)C1 ZINC000676473898 1075564218 /nfs/dbraw/zinc/56/42/18/1075564218.db2.gz UBPUDGFYROVCQA-OAQYLSRUSA-N 1 0 401.551 1.991 20 0 HDADRO COC(=O)c1ccsc1N1CC[C@H](N2CCCC[C@@H]2CN2CCOCC2)C1=O ZINC000466731412 1075564304 /nfs/dbraw/zinc/56/43/04/1075564304.db2.gz NKUYUQPXDFYKBP-WBVHZDCISA-N 1 0 407.536 1.827 20 0 HDADRO CN(C(=O)NCCC1(O)CCOCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000509416857 1075565962 /nfs/dbraw/zinc/56/59/62/1075565962.db2.gz NUFNMGWGHHONLH-VQTJNVASSA-N 1 0 410.603 1.897 20 0 HDADRO CCn1nc(NC(=O)C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)cc1C1CC1 ZINC000438877855 1075567257 /nfs/dbraw/zinc/56/72/57/1075567257.db2.gz VXUZZYLSSXRIJC-UHFFFAOYSA-N 1 0 424.549 2.279 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000804221764 1075567797 /nfs/dbraw/zinc/56/77/97/1075567797.db2.gz VGFFGCMZNFVQGS-JKSUJKDBSA-N 1 0 422.545 1.811 20 0 HDADRO CCOc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)CCO2 ZINC000676505161 1075571314 /nfs/dbraw/zinc/57/13/14/1075571314.db2.gz OQPNAJWXHOWHPQ-IBGZPJMESA-N 1 0 418.538 1.121 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)CC1 ZINC000509417702 1075574479 /nfs/dbraw/zinc/57/44/79/1075574479.db2.gz QGLYZHMFLDTXAW-IBGZPJMESA-N 1 0 419.570 1.494 20 0 HDADRO C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000448509039 1075577389 /nfs/dbraw/zinc/57/73/89/1075577389.db2.gz ANXDKSBBQDIOCF-INIZCTEOSA-N 1 0 415.538 2.264 20 0 HDADRO Cc1ccc(C(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cc1S(N)(=O)=O ZINC000676538383 1075579644 /nfs/dbraw/zinc/57/96/44/1075579644.db2.gz RNLCQDBRJDURJR-MRXNPFEDSA-N 1 0 403.508 1.430 20 0 HDADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)C1 ZINC000676543545 1075580990 /nfs/dbraw/zinc/58/09/90/1075580990.db2.gz STACTBWOUQJMPE-SFHVURJKSA-N 1 0 417.535 1.276 20 0 HDADRO CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1 ZINC000731981249 1075582920 /nfs/dbraw/zinc/58/29/20/1075582920.db2.gz NCLJUGCUIKJBOC-DAXSKMNVSA-N 1 0 409.446 1.563 20 0 HDADRO CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000731984662 1075583616 /nfs/dbraw/zinc/58/36/16/1075583616.db2.gz MUZMBUSXJSUHIN-KKMIYCERSA-N 1 0 421.501 1.790 20 0 HDADRO CC(C)CCn1nccc1NC(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000676552992 1075585836 /nfs/dbraw/zinc/58/58/36/1075585836.db2.gz UDZKPXJTDLESBZ-UHFFFAOYSA-N 1 0 405.543 1.829 20 0 HDADRO CN(C(=O)C(=O)Nc1ccn(CC(F)F)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000444528995 1075586273 /nfs/dbraw/zinc/58/62/73/1075586273.db2.gz ZXFLMNWKWIOGAG-INIZCTEOSA-N 1 0 405.449 2.210 20 0 HDADRO COc1cc2c(cc1CNC(=O)C(=O)Nc1cnn(-c3cc[nH+]cc3)c1)O[C@H](C)C2 ZINC000676556548 1075589139 /nfs/dbraw/zinc/58/91/39/1075589139.db2.gz UMRQSSYDXALPBI-CYBMUJFWSA-N 1 0 407.430 1.854 20 0 HDADRO CN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732035306 1075592198 /nfs/dbraw/zinc/59/21/98/1075592198.db2.gz LSCKMKAQFQHVJL-INIZCTEOSA-N 1 0 411.499 1.155 20 0 HDADRO CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732036918 1075592504 /nfs/dbraw/zinc/59/25/04/1075592504.db2.gz ZBNCZZSCCOVGQC-KRWDZBQOSA-N 1 0 416.547 1.543 20 0 HDADRO C[C@@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)[N@H+](C)Cc1ccccc1 ZINC000676549632 1075597594 /nfs/dbraw/zinc/59/75/94/1075597594.db2.gz FMBWMEQSXADWFH-KRWDZBQOSA-N 1 0 406.490 1.902 20 0 HDADRO CNC(=O)c1cncc(/C=C\C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000732058987 1075597624 /nfs/dbraw/zinc/59/76/24/1075597624.db2.gz ZYTSAHKKUWYUIO-GIFJBRJJSA-N 1 0 407.518 1.781 20 0 HDADRO CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000732060873 1075597988 /nfs/dbraw/zinc/59/79/88/1075597988.db2.gz VQLVIAZTXZUGAV-RNVJXAMWSA-N 1 0 411.593 1.766 20 0 HDADRO COC1(CNC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CCOCC1 ZINC000676573567 1075599966 /nfs/dbraw/zinc/59/99/66/1075599966.db2.gz MEHXOCSKYMPSCF-IBGZPJMESA-N 1 0 418.538 1.379 20 0 HDADRO C[C@@H](C(=O)NCCS(=O)(=O)N1CCOCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732065254 1075599972 /nfs/dbraw/zinc/59/99/72/1075599972.db2.gz XGHIIGNZMSIOSU-SFHVURJKSA-N 1 0 423.579 1.108 20 0 HDADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000446788241 1075602485 /nfs/dbraw/zinc/60/24/85/1075602485.db2.gz VYRNHIJZBPJOJN-HUUCEWRRSA-N 1 0 415.460 2.497 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000509424030 1075602837 /nfs/dbraw/zinc/60/28/37/1075602837.db2.gz HIJXNYUGSNGOEF-UHFFFAOYSA-N 1 0 403.570 1.432 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCCC[NH+]2CCCC2)c1 ZINC000509424018 1075602883 /nfs/dbraw/zinc/60/28/83/1075602883.db2.gz HGPSSJKFUSSEJB-UHFFFAOYSA-N 1 0 403.570 1.481 20 0 HDADRO COc1ccc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1NC(C)=O ZINC000676565156 1075602895 /nfs/dbraw/zinc/60/28/95/1075602895.db2.gz XMYWQTZEPWNSPS-DKSSEZFCSA-N 1 0 411.524 1.526 20 0 HDADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000429451166 1075606529 /nfs/dbraw/zinc/60/65/29/1075606529.db2.gz OIEKUCHDXCUPLM-RDJZCZTQSA-N 1 0 422.501 1.074 20 0 HDADRO CC[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 ZINC000732095895 1075610101 /nfs/dbraw/zinc/61/01/01/1075610101.db2.gz ODLYQZDHFXXVBL-UHFFFAOYSA-N 1 0 415.943 1.529 20 0 HDADRO COc1ccc(C(=O)NCCN2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)cc1 ZINC000732098577 1075611516 /nfs/dbraw/zinc/61/15/16/1075611516.db2.gz VINGYDPPQIRWPB-UHFFFAOYSA-N 1 0 416.566 1.835 20 0 HDADRO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000429722128 1075614544 /nfs/dbraw/zinc/61/45/44/1075614544.db2.gz KQMHPUBGPCHMFN-OAHLLOKOSA-N 1 0 405.524 1.568 20 0 HDADRO C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000676614475 1075616217 /nfs/dbraw/zinc/61/62/17/1075616217.db2.gz DWTMSQMXNXQBQW-UHFFFAOYSA-N 1 0 408.453 1.512 20 0 HDADRO C[NH+](C)CCOC1CCN(C(=O)C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000676617539 1075617274 /nfs/dbraw/zinc/61/72/74/1075617274.db2.gz GRDRVAONCCLIHE-UHFFFAOYSA-N 1 0 409.437 1.939 20 0 HDADRO Cc1cc(=O)oc2cc(OCC(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)ccc12 ZINC000732106684 1075633836 /nfs/dbraw/zinc/63/38/36/1075633836.db2.gz KTPBMCVIDAWDGP-UHFFFAOYSA-N 1 0 413.518 1.966 20 0 HDADRO CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000732113153 1075635550 /nfs/dbraw/zinc/63/55/50/1075635550.db2.gz MPAUIWLALRWVBO-GOSISDBHSA-N 1 0 404.536 1.050 20 0 HDADRO CN(C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000732159898 1075641887 /nfs/dbraw/zinc/64/18/87/1075641887.db2.gz LAHJLUWEJCHWGV-FQEVSTJZSA-N 1 0 420.579 1.971 20 0 HDADRO COc1ccccc1Nc1nc(N)nc(CN2CCN([C@H](C)c3cccnc3)CC2)n1 ZINC000532582370 1075641948 /nfs/dbraw/zinc/64/19/48/1075641948.db2.gz LNBHIQBCRDHSQX-MRXNPFEDSA-N 1 0 420.521 1.902 20 0 HDADRO CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000469875159 1075643237 /nfs/dbraw/zinc/64/32/37/1075643237.db2.gz UIHJYGQLVUEESQ-UHFFFAOYSA-N 1 0 402.480 1.553 20 0 HDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000732139952 1075647196 /nfs/dbraw/zinc/64/71/96/1075647196.db2.gz VTSPWHUIDPNTEP-HNNXBMFYSA-N 1 0 413.515 1.451 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000732139318 1075647286 /nfs/dbraw/zinc/64/72/86/1075647286.db2.gz NGLQTUSQNLIFJU-JHRJRCTKSA-N 1 0 412.534 1.780 20 0 HDADRO 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C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000732195038 1075656640 /nfs/dbraw/zinc/65/66/40/1075656640.db2.gz GBALAQFNVFCAED-QGZVFWFLSA-N 1 0 415.538 1.912 20 0 HDADRO CC(C)CN(C(=O)CON=C(N)C[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000732195154 1075657106 /nfs/dbraw/zinc/65/71/06/1075657106.db2.gz JJMDVAZSNSTBHA-JKSUJKDBSA-N 1 0 402.561 1.031 20 0 HDADRO CNS(=O)(=O)c1cccc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000466738847 1075657440 /nfs/dbraw/zinc/65/74/40/1075657440.db2.gz BTPWLYKFJSDBAE-UHFFFAOYSA-N 1 0 411.549 1.177 20 0 HDADRO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1=O ZINC000429459577 1075657573 /nfs/dbraw/zinc/65/75/73/1075657573.db2.gz YGEGMWZMKANOPG-YVWKXTFCSA-N 1 0 400.523 1.970 20 0 HDADRO CS[C@H]1CN(C(=O)CCc2c(C)nc3nc(N)nn3c2C)C[C@H]1[NH+]1CCCC1 ZINC000483418225 1075663075 /nfs/dbraw/zinc/66/30/75/1075663075.db2.gz ZSFKYSYICGEFIO-CVEARBPZSA-N 1 0 403.556 1.294 20 0 HDADRO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cnn(C3CCOCC3)c2)c2ccccc2O1 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CC(C)[C@@H](C[NH+](C)C)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC000733169076 1075999731 /nfs/dbraw/zinc/99/97/31/1075999731.db2.gz YXURRWSNKNXRGY-QGZVFWFLSA-N 1 0 423.583 1.459 20 0 HDADRO C[NH+](C)CCC1CCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 ZINC000733169317 1076000122 /nfs/dbraw/zinc/00/01/22/1076000122.db2.gz RSJHHGHXHQYLRW-UHFFFAOYSA-N 1 0 424.386 1.962 20 0 HDADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000733171074 1076001295 /nfs/dbraw/zinc/00/12/95/1076001295.db2.gz VHLMUAMFNUETGT-CQSZACIVSA-N 1 0 408.597 1.685 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)C2)no1 ZINC000513995588 1076014330 /nfs/dbraw/zinc/01/43/30/1076014330.db2.gz YNORKLFFTFVWME-WBVHZDCISA-N 1 0 406.531 1.496 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)no1 ZINC000513995728 1076014600 /nfs/dbraw/zinc/01/46/00/1076014600.db2.gz ACUWALPLUFDZDB-IKGGRYGDSA-N 1 0 404.515 1.391 20 0 HDADRO 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CO[C@@H]1C[N@H+](CCn2cc(-c3ccccc3)cn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081960817 1076020399 /nfs/dbraw/zinc/02/03/99/1076020399.db2.gz SYANHWYLROTRCT-FAZHRNDASA-N 1 0 422.529 1.789 20 0 HDADRO CCOC(=O)N(C)C1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000727036639 1076030706 /nfs/dbraw/zinc/03/07/06/1076030706.db2.gz RKDFTPVQRVOIAT-UHFFFAOYSA-N 1 0 420.510 1.645 20 0 HDADRO CCOC(=O)Nc1ccc(NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000727040311 1076032090 /nfs/dbraw/zinc/03/20/90/1076032090.db2.gz UBBSBBOMEFXKPC-UHFFFAOYSA-N 1 0 406.483 1.811 20 0 HDADRO C[C@@]1(CCc2ccc3c(c2)OCO3)NC(=O)N(CN2CC[NH+](C3CCC3)CC2)C1=O ZINC000733298516 1076032384 /nfs/dbraw/zinc/03/23/84/1076032384.db2.gz UNFZIPYMPITGDX-QFIPXVFZSA-N 1 0 414.506 1.786 20 0 HDADRO CC(=O)c1ccc(NC(=O)[C@H](C)ONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)cc1 ZINC000733306210 1076034379 /nfs/dbraw/zinc/03/43/79/1076034379.db2.gz IVHMCHZTQVUWBB-ZDUSSCGKSA-N 1 0 413.478 1.712 20 0 HDADRO Cn1nc(Br)c2c1ncn(CC(=O)Nc1ccc(C[NH+](C)C)cc1)c2=O ZINC000727099782 1076043995 /nfs/dbraw/zinc/04/39/95/1076043995.db2.gz CLGIWUKQOCHUBZ-UHFFFAOYSA-N 1 0 419.283 1.593 20 0 HDADRO O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733332858 1076045766 /nfs/dbraw/zinc/04/57/66/1076045766.db2.gz DRMCKPIXZUPELV-SFHVURJKSA-N 1 0 415.494 1.503 20 0 HDADRO Cn1cnc2c1c(=O)n(CCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1)c(=O)n2C ZINC000053135163 1076054739 /nfs/dbraw/zinc/05/47/39/1076054739.db2.gz YIKNIPBGOODVFZ-OAHLLOKOSA-N 1 0 417.535 1.567 20 0 HDADRO Cc1cnc([C@H](NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C2CC2)s1 ZINC000520780839 1076064645 /nfs/dbraw/zinc/06/46/45/1076064645.db2.gz XYXNZMGYGOPPCH-QGZVFWFLSA-N 1 0 421.567 1.078 20 0 HDADRO O=C(CN1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1)NC1CC1 ZINC000054953221 1076065357 /nfs/dbraw/zinc/06/53/57/1076065357.db2.gz XECAGHRBCYGQRP-UHFFFAOYSA-N 1 0 413.566 1.778 20 0 HDADRO O=c1c(Br)c(Br)cnn1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000727169567 1076068384 /nfs/dbraw/zinc/06/83/84/1076068384.db2.gz KHWSHYREOHOQGX-JTQLQIEISA-N 1 0 406.122 1.896 20 0 HDADRO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)C2)C1=O ZINC000727159610 1076071916 /nfs/dbraw/zinc/07/19/16/1076071916.db2.gz NSOGMMZPALDEQY-GCJKJVERSA-N 1 0 413.522 1.131 20 0 HDADRO COc1ccc(C)cc1C(=O)C(C(=S)NCC(N)=O)[n+]1ccc(N(C)C)cc1 ZINC000727161594 1076072246 /nfs/dbraw/zinc/07/22/46/1076072246.db2.gz PBWJGXUGPGAICE-UHFFFAOYSA-O 1 0 401.512 1.123 20 0 HDADRO COc1ccc(C(=O)C(C(=S)NCC(N)=O)[n+]2ccc(N(C)C)cc2)cc1Cl ZINC000727160509 1076072289 /nfs/dbraw/zinc/07/22/89/1076072289.db2.gz DLQLOZRYZXYZHR-UHFFFAOYSA-O 1 0 421.930 1.468 20 0 HDADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)C[C@@H](C)O1 ZINC000727231689 1076085911 /nfs/dbraw/zinc/08/59/11/1076085911.db2.gz SEZXGGMUXJXWAM-HLIPFELVSA-N 1 0 400.523 1.935 20 0 HDADRO COCCOC(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000727231466 1076085953 /nfs/dbraw/zinc/08/59/53/1076085953.db2.gz NJOPQFZLOBAADK-QGZVFWFLSA-N 1 0 404.467 1.517 20 0 HDADRO S=C(NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000727277813 1076089286 /nfs/dbraw/zinc/08/92/86/1076089286.db2.gz NVOIQGSDHPMVAU-KRWDZBQOSA-N 1 0 420.579 1.788 20 0 HDADRO C=C1c2ccccc2C(=O)N1CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000727333399 1076093525 /nfs/dbraw/zinc/09/35/25/1076093525.db2.gz GUKLXBYMVRHWBQ-UHFFFAOYSA-N 1 0 406.486 1.721 20 0 HDADRO CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000727333209 1076094955 /nfs/dbraw/zinc/09/49/55/1076094955.db2.gz BTIREYJXAPOECG-RCCKNPSSSA-N 1 0 408.502 1.771 20 0 HDADRO CCOC(=O)N1CCC(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000727333986 1076095064 /nfs/dbraw/zinc/09/50/64/1076095064.db2.gz RRXZGJZSCMIOSZ-UHFFFAOYSA-N 1 0 404.511 1.463 20 0 HDADRO CCNC(=O)NC(=O)COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000733530943 1076095639 /nfs/dbraw/zinc/09/56/39/1076095639.db2.gz LYRTVFOOHJUEPL-QGZVFWFLSA-N 1 0 401.385 1.830 20 0 HDADRO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(NC(=O)c3ccoc3C)CC2)CC1 ZINC000727436734 1076120117 /nfs/dbraw/zinc/12/01/17/1076120117.db2.gz IBMREUGNVTXHES-OAHLLOKOSA-N 1 0 420.510 1.471 20 0 HDADRO O=S(=O)(CC[NH2+]Cc1cnc2ccccc2c1)N1CCN(c2ccccn2)CC1 ZINC000727466952 1076136869 /nfs/dbraw/zinc/13/68/69/1076136869.db2.gz MKARIEAUTUNXEE-UHFFFAOYSA-N 1 0 411.531 1.871 20 0 HDADRO C[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000727493149 1076137475 /nfs/dbraw/zinc/13/74/75/1076137475.db2.gz DDRSFFMZIIHZBO-MJGOQNOKSA-N 1 0 404.555 1.875 20 0 HDADRO C[NH+](C)CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000727491452 1076137542 /nfs/dbraw/zinc/13/75/42/1076137542.db2.gz YEDKLKJNYTZMGI-IBGZPJMESA-N 1 0 404.555 1.828 20 0 HDADRO C[C@H]([NH2+]C1(CNC(=O)NCCN2CCO[C@H](C)C2)CCOCC1)c1ccccc1 ZINC000733646532 1076138960 /nfs/dbraw/zinc/13/89/60/1076138960.db2.gz NKSCQWNKIOSCTB-MOPGFXCFSA-N 1 0 404.555 1.906 20 0 HDADRO C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727488507 1076143043 /nfs/dbraw/zinc/14/30/43/1076143043.db2.gz UKYPDLJWWKCUHW-OAHLLOKOSA-N 1 0 410.540 1.767 20 0 HDADRO CCN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000733669875 1076152020 /nfs/dbraw/zinc/15/20/20/1076152020.db2.gz MFIAVGHVBGTBMN-INIZCTEOSA-N 1 0 424.567 1.049 20 0 HDADRO COC(=O)Nc1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1F ZINC000727617033 1076176669 /nfs/dbraw/zinc/17/66/69/1076176669.db2.gz GTGXNMIHDWDNDO-AWEZNQCLSA-N 1 0 410.446 1.512 20 0 HDADRO COC(=O)Nc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1F ZINC000727609245 1076179143 /nfs/dbraw/zinc/17/91/43/1076179143.db2.gz XEDKOPXTUQXMPB-AWEZNQCLSA-N 1 0 410.446 1.416 20 0 HDADRO COC(=O)Nc1cc(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000727610794 1076181016 /nfs/dbraw/zinc/18/10/16/1076181016.db2.gz LKBZUCFEBRZYBW-BETUJISGSA-N 1 0 410.446 1.558 20 0 HDADRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)[NH+]1CCCCC1 ZINC000727614932 1076184591 /nfs/dbraw/zinc/18/45/91/1076184591.db2.gz DRSGFMKGMVXDFS-NSHDSACASA-N 1 0 403.451 1.297 20 0 HDADRO CC(C)(C)SCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000727621484 1076187957 /nfs/dbraw/zinc/18/79/57/1076187957.db2.gz QCIZKEDUEFSLPH-UHFFFAOYSA-N 1 0 420.579 1.970 20 0 HDADRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000727643888 1076198273 /nfs/dbraw/zinc/19/82/73/1076198273.db2.gz AUJQBJPEDNSYIS-AWEZNQCLSA-N 1 0 407.540 1.787 20 0 HDADRO C[C@H]1NC(C(=O)NCc2cccc(OCC[NH+](C)C)c2)=NN(c2ccccc2)C1=O ZINC000727733725 1076213980 /nfs/dbraw/zinc/21/39/80/1076213980.db2.gz OHHQZAQNMUGCOW-MRXNPFEDSA-N 1 0 409.490 1.582 20 0 HDADRO C[C@H]1NC(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)=NN(c2ccccc2)C1=O ZINC000727733968 1076213983 /nfs/dbraw/zinc/21/39/83/1076213983.db2.gz PPEXTVWPFDVYBE-MRXNPFEDSA-N 1 0 409.490 1.582 20 0 HDADRO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](CCCO)CC(C)(C)C)C2=O)c1 ZINC000733794664 1076215087 /nfs/dbraw/zinc/21/50/87/1076215087.db2.gz FTDDWBUFNVBIOW-OAQYLSRUSA-N 1 0 420.510 1.224 20 0 HDADRO C[NH+]1CCN(C[C@@H](NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)c2ccccc2)CC1 ZINC000727740082 1076216107 /nfs/dbraw/zinc/21/61/07/1076216107.db2.gz GCDGLRZOWIWYGS-GOSISDBHSA-N 1 0 420.510 1.192 20 0 HDADRO C[C@@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[N@H+](C)C1CC1 ZINC000727742477 1076216357 /nfs/dbraw/zinc/21/63/57/1076216357.db2.gz RULMWUJZABMAAM-XJKSGUPXSA-N 1 0 421.519 1.223 20 0 HDADRO CC1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC000727764987 1076219033 /nfs/dbraw/zinc/21/90/33/1076219033.db2.gz YALCTDXZXIDKFU-UXHICEINSA-N 1 0 403.523 1.997 20 0 HDADRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)C[C@H](C)O1 ZINC000727765819 1076219802 /nfs/dbraw/zinc/21/98/02/1076219802.db2.gz IWIZUAVJJWCCNR-BWPNAZKDSA-N 1 0 419.522 1.374 20 0 HDADRO C[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000727766844 1076221038 /nfs/dbraw/zinc/22/10/38/1076221038.db2.gz MBYGSGLDPJYDLU-CUDHKJQZSA-N 1 0 403.523 1.995 20 0 HDADRO C[C@@H](CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000727766843 1076221061 /nfs/dbraw/zinc/22/10/61/1076221061.db2.gz MBYGSGLDPJYDLU-BWPNAZKDSA-N 1 0 403.523 1.995 20 0 HDADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753135 1076226426 /nfs/dbraw/zinc/22/64/26/1076226426.db2.gz RMWIKGSJNKRRPN-YJBOKZPZSA-N 1 0 404.492 1.653 20 0 HDADRO O=C(NCc1ccc(C(=O)N2CCCC2)cc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000733850993 1076227717 /nfs/dbraw/zinc/22/77/17/1076227717.db2.gz UUNMVLCTJFYIBV-UHFFFAOYSA-N 1 0 418.457 1.758 20 0 HDADRO C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CCOCC3)cc2)C[C@H](C)O1 ZINC000733852958 1076229219 /nfs/dbraw/zinc/22/92/19/1076229219.db2.gz LRKCKQIWZPVPAM-CALCHBBNSA-N 1 0 418.538 1.466 20 0 HDADRO C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000733854528 1076229815 /nfs/dbraw/zinc/22/98/15/1076229815.db2.gz SSNYOZDNDAZCAV-CYBMUJFWSA-N 1 0 402.455 1.577 20 0 HDADRO Cc1nccn1-c1ncccc1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000733855303 1076231087 /nfs/dbraw/zinc/23/10/87/1076231087.db2.gz HFUPTJUUFUQWBF-UHFFFAOYSA-N 1 0 402.418 1.411 20 0 HDADRO CC(C)(C)OC(=O)N1CCCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000733855855 1076231499 /nfs/dbraw/zinc/23/14/99/1076231499.db2.gz MVAUNBLKGXGKET-UHFFFAOYSA-N 1 0 414.466 1.675 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1cccc(F)c1 ZINC000022682499 1076232003 /nfs/dbraw/zinc/23/20/03/1076232003.db2.gz OPTVKFLZYPTNRS-IBGZPJMESA-N 1 0 407.511 1.950 20 0 HDADRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cnn(CC(F)(F)F)c3)CC2)cn1 ZINC000531654925 1076237248 /nfs/dbraw/zinc/23/72/48/1076237248.db2.gz WTHCTCKCEAJJNX-UHFFFAOYSA-N 1 0 406.434 1.122 20 0 HDADRO Cc1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1ccc3oc(=O)n(CC[NH+](C)C)c3c1)CO2 ZINC000531922737 1076237720 /nfs/dbraw/zinc/23/77/20/1076237720.db2.gz LXXXBKIBTBDUEO-MRXNPFEDSA-N 1 0 424.457 1.653 20 0 HDADRO 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ZINC000733885821 1076240221 /nfs/dbraw/zinc/24/02/21/1076240221.db2.gz WSEKPRYFYRZNFN-GOSISDBHSA-N 1 0 412.577 1.180 20 0 HDADRO CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001299316712 1076246233 /nfs/dbraw/zinc/24/62/33/1076246233.db2.gz ZLNYVPPBRARUTF-UHFFFAOYSA-N 1 0 400.593 1.336 20 0 HDADRO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000536209408 1076256242 /nfs/dbraw/zinc/25/62/42/1076256242.db2.gz WJQVFTPFNDQFNR-INIZCTEOSA-N 1 0 411.568 1.682 20 0 HDADRO CC(C)[N@@H+]1CCCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 ZINC000727806933 1076259600 /nfs/dbraw/zinc/25/96/00/1076259600.db2.gz LWYYVUUHXHIARJ-SFHVURJKSA-N 1 0 404.511 1.490 20 0 HDADRO CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CC[NH+](C(C)C)CC2)C1=O ZINC000733902980 1076261601 /nfs/dbraw/zinc/26/16/01/1076261601.db2.gz FMJANQGWTLIABI-OAQYLSRUSA-N 1 0 404.486 1.972 20 0 HDADRO COC(=O)c1ccc(Br)c(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000727836272 1076265561 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408.568 1.273 20 0 HDADRO CN(c1ccc(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1)S(C)(=O)=O ZINC000673669380 1073622505 /nfs/dbraw/zinc/62/25/05/1073622505.db2.gz JBGAPZOSGKNBTI-NRFANRHFSA-N 1 0 417.531 1.336 20 0 HDADRO NC(=O)C1(c2ccccc2)CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000673673744 1073630098 /nfs/dbraw/zinc/63/00/98/1073630098.db2.gz VYGIRWKXRNVVHA-DEOSSOPVSA-N 1 0 407.514 1.669 20 0 HDADRO CN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673701187 1073643384 /nfs/dbraw/zinc/64/33/84/1073643384.db2.gz VKVPYEKZDFTPAN-GOSISDBHSA-N 1 0 417.531 1.836 20 0 HDADRO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673700892 1073643957 /nfs/dbraw/zinc/64/39/57/1073643957.db2.gz XESYACYFZOSMSV-PMACEKPBSA-N 1 0 400.523 1.237 20 0 HDADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000766019914 1073650623 /nfs/dbraw/zinc/65/06/23/1073650623.db2.gz NUGIUYJMCOTBHR-LJQANCHMSA-N 1 0 419.501 1.433 20 0 HDADRO 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ZINC000674325851 1074275280 /nfs/dbraw/zinc/27/52/80/1074275280.db2.gz KUWLGYZICQSASO-NRFANRHFSA-N 1 0 420.554 1.479 20 0 HDADRO COC1CC[NH+](CCNC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC1 ZINC000674325785 1074275316 /nfs/dbraw/zinc/27/53/16/1074275316.db2.gz GLOHHDBCNONCNB-HXUWFJFHSA-N 1 0 408.518 1.609 20 0 HDADRO COC1CC[NH+](CCNC(=O)NCc2ccccc2OCCN2CCOCC2)CC1 ZINC000674326978 1074276291 /nfs/dbraw/zinc/27/62/91/1074276291.db2.gz IKRHTIPKXUTHPJ-UHFFFAOYSA-N 1 0 420.554 1.308 20 0 HDADRO COC1CC[NH+](CCNC(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC000674328283 1074277416 /nfs/dbraw/zinc/27/74/16/1074277416.db2.gz SPXCCHXZXJXTNS-IBGZPJMESA-N 1 0 404.511 1.714 20 0 HDADRO COc1nc(N2CCN(C(=O)N[C@H]3CCC[N@H+](C)C3)CC2)ncc1Br ZINC000674329095 1074277892 /nfs/dbraw/zinc/27/78/92/1074277892.db2.gz WVMXERQUSATNFB-LBPRGKRZSA-N 1 0 413.320 1.174 20 0 HDADRO COc1cc(CNC(=O)NCC[NH+]2CCC(OC)CC2)ccc1OCC(=O)N(C)C ZINC000674328649 1074278395 /nfs/dbraw/zinc/27/83/95/1074278395.db2.gz PHTLSYSEGLPVSI-UHFFFAOYSA-N 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CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000674346421 1074288922 /nfs/dbraw/zinc/28/89/22/1074288922.db2.gz PFPDUNUIBFVZLD-CQSZACIVSA-N 1 0 401.554 1.280 20 0 HDADRO COc1ccc(C(=O)CCC(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1F ZINC000674358770 1074291242 /nfs/dbraw/zinc/29/12/42/1074291242.db2.gz RLOWRZYAQRBZRG-KRWDZBQOSA-N 1 0 405.470 1.738 20 0 HDADRO O=C(C[NH2+][C@H]1Cc2cccc(O)c2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000429227104 1074291668 /nfs/dbraw/zinc/29/16/68/1074291668.db2.gz CVPAZDAYORVWRF-KRWDZBQOSA-N 1 0 415.515 1.872 20 0 HDADRO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000670471807 1074292816 /nfs/dbraw/zinc/29/28/16/1074292816.db2.gz SBKDELCOKUPWBT-ZDUSSCGKSA-N 1 0 400.317 1.791 20 0 HDADRO Cc1c(C(=O)N2CCC(c3nnc[nH]3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000674364790 1074294666 /nfs/dbraw/zinc/29/46/66/1074294666.db2.gz UANPONJNBFQXCC-UHFFFAOYSA-N 1 0 406.494 1.702 20 0 HDADRO COc1ccc2c(c1)OC[C@H](C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000674369462 1074299241 /nfs/dbraw/zinc/29/92/41/1074299241.db2.gz XSJATPACKCZXTA-IAGOWNOFSA-N 1 0 410.536 1.214 20 0 HDADRO COc1ccc2c(c1)OC[C@@H](C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000674369461 1074299296 /nfs/dbraw/zinc/29/92/96/1074299296.db2.gz XSJATPACKCZXTA-DLBZAZTESA-N 1 0 410.536 1.214 20 0 HDADRO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000674407858 1074311452 /nfs/dbraw/zinc/31/14/52/1074311452.db2.gz LPGUWHLTNCPFNS-UHFFFAOYSA-N 1 0 401.511 1.691 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1=O ZINC000674408651 1074312375 /nfs/dbraw/zinc/31/23/75/1074312375.db2.gz GJCOGUUKRRBYEN-AVYPCKFXSA-N 1 0 403.483 1.436 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000674425625 1074328643 /nfs/dbraw/zinc/32/86/43/1074328643.db2.gz FWEUQMGBCNEWDV-KKSFZXQISA-N 1 0 417.510 1.147 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1=O ZINC000674426591 1074330005 /nfs/dbraw/zinc/33/00/05/1074330005.db2.gz ORLAYUXGEAQZRY-HRAATJIYSA-N 1 0 417.510 1.147 20 0 HDADRO COCC[NH+](CCOC)C1CCN(C(=O)c2ccccc2Cn2ccnn2)CC1 ZINC001128727417 1074336659 /nfs/dbraw/zinc/33/66/59/1074336659.db2.gz NBJDZNDIOFFTFQ-UHFFFAOYSA-N 1 0 401.511 1.526 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1=O ZINC000674440261 1074338284 /nfs/dbraw/zinc/33/82/84/1074338284.db2.gz PGSZVRCHYAMEAQ-AVRDEDQJSA-N 1 0 413.522 1.802 20 0 HDADRO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)[NH+](C)C)cc1 ZINC000674431740 1074342873 /nfs/dbraw/zinc/34/28/73/1074342873.db2.gz UFPIMEXQWCDJHZ-LLGFUMIMSA-N 1 0 401.511 1.617 20 0 HDADRO COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)CC1 ZINC001128726778 1074344208 /nfs/dbraw/zinc/34/42/08/1074344208.db2.gz JQOBBQKPCBRJIY-KRWDZBQOSA-N 1 0 421.513 1.764 20 0 HDADRO COCC[NH+](CCOC)C1CCN(C(=O)c2cn(-c3ccccc3C)nn2)CC1 ZINC001128727608 1074355318 /nfs/dbraw/zinc/35/53/18/1074355318.db2.gz PQJKQIQFYWKTPN-UHFFFAOYSA-N 1 0 401.511 1.775 20 0 HDADRO C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CCN1CCCS1(=O)=O ZINC000674463767 1074355594 /nfs/dbraw/zinc/35/55/94/1074355594.db2.gz RTGLINXSOCHGNX-UHFFFAOYSA-N 1 0 408.524 1.109 20 0 HDADRO COC[C@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2cc(OC)c(OC)cc2C)CC1 ZINC000674468177 1074365745 /nfs/dbraw/zinc/36/57/45/1074365745.db2.gz ATUQHZYPRMDVRO-LJQANCHMSA-N 1 0 405.539 1.767 20 0 HDADRO COC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2cc(OC)c(OC)cc2C)CC1 ZINC000674468175 1074365936 /nfs/dbraw/zinc/36/59/36/1074365936.db2.gz ATUQHZYPRMDVRO-IBGZPJMESA-N 1 0 405.539 1.767 20 0 HDADRO CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001128735689 1074410599 /nfs/dbraw/zinc/41/05/99/1074410599.db2.gz HJFOSUYDSHZOCR-FBVQUNGASA-N 1 0 408.587 1.763 20 0 HDADRO C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674514302 1074411187 /nfs/dbraw/zinc/41/11/87/1074411187.db2.gz KAXTWAXTBHCZFK-MRXNPFEDSA-N 1 0 402.520 1.784 20 0 HDADRO C[C@@H](C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674514709 1074411793 /nfs/dbraw/zinc/41/17/93/1074411793.db2.gz WAFCSOGVHAKDFT-IEBWSBKVSA-N 1 0 423.579 1.754 20 0 HDADRO C[C@@H](C(=O)N(C)CCN1CCCS1(=O)=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000674520707 1074417819 /nfs/dbraw/zinc/41/78/19/1074417819.db2.gz KMTYOAVYJYPGLE-SFHVURJKSA-N 1 0 407.580 1.824 20 0 HDADRO CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1=O ZINC000674583198 1074448561 /nfs/dbraw/zinc/44/85/61/1074448561.db2.gz JPLKPXQSAWFEET-YVHKJVDXSA-N 1 0 416.497 1.874 20 0 HDADRO CNC(=O)CCOC1CCN(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC1 ZINC000674574379 1074450935 /nfs/dbraw/zinc/45/09/35/1074450935.db2.gz ZWEBIXZNHRRRSO-UHFFFAOYSA-N 1 0 406.531 1.607 20 0 HDADRO CCn1nc2c(cc1=O)CN(C(=O)NC[C@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000674624715 1074491896 /nfs/dbraw/zinc/49/18/96/1074491896.db2.gz ARHILKYNHDXSGV-LJQANCHMSA-N 1 0 409.534 1.896 20 0 HDADRO CCn1nc2c(cc1=O)CN(C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000674625963 1074492289 /nfs/dbraw/zinc/49/22/89/1074492289.db2.gz KGVRDBKWTGZUCB-UHFFFAOYSA-N 1 0 413.522 1.514 20 0 HDADRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000674631749 1074496000 /nfs/dbraw/zinc/49/60/00/1074496000.db2.gz URBSRGNNBHQRLI-LXGFNABISA-N 1 0 402.539 1.645 20 0 HDADRO CC[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C(=O)N1CCOCC1 ZINC000674647829 1074496602 /nfs/dbraw/zinc/49/66/02/1074496602.db2.gz YHUCSBAJAHKNAC-FQEVSTJZSA-N 1 0 402.539 1.850 20 0 HDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)o1 ZINC000674638278 1074497122 /nfs/dbraw/zinc/49/71/22/1074497122.db2.gz FHWRQXJEFKEHRL-FOIQADDNSA-N 1 0 405.499 1.382 20 0 HDADRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)o1 ZINC000674638281 1074497641 /nfs/dbraw/zinc/49/76/41/1074497641.db2.gz FHWRQXJEFKEHRL-QRWLVFNGSA-N 1 0 405.499 1.382 20 0 HDADRO O=C(NC[C@@H]1CCCCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C12CCC[NH+]1CCC2 ZINC001005471283 1074510342 /nfs/dbraw/zinc/51/03/42/1074510342.db2.gz RATSERGUXABSDV-ROMHJBHXSA-N 1 0 401.551 1.926 20 0 HDADRO C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)c1ccc(S(C)(=O)=O)cc1 ZINC000674667048 1074513045 /nfs/dbraw/zinc/51/30/45/1074513045.db2.gz XYMIZBFCAOXFBO-OAHLLOKOSA-N 1 0 402.520 1.979 20 0 HDADRO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674672475 1074516586 /nfs/dbraw/zinc/51/65/86/1074516586.db2.gz QMFVUVPVVAPNGJ-VGSWGCGISA-N 1 0 416.543 1.947 20 0 HDADRO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668307 1074518581 /nfs/dbraw/zinc/51/85/81/1074518581.db2.gz XPPNICPOZVMTCB-LPHOPBHVSA-N 1 0 407.580 1.821 20 0 HDADRO C[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674667914 1074519355 /nfs/dbraw/zinc/51/93/55/1074519355.db2.gz PPIHCTFWBCWTOL-MJGOQNOKSA-N 1 0 407.580 1.822 20 0 HDADRO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(N2CCOCC2)c1 ZINC000674700021 1074528804 /nfs/dbraw/zinc/52/88/04/1074528804.db2.gz ZYOCECSBTBBQQC-HXUWFJFHSA-N 1 0 415.582 1.799 20 0 HDADRO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1 ZINC000674719929 1074539425 /nfs/dbraw/zinc/53/94/25/1074539425.db2.gz LWXNYSPMDTYTCB-UHFFFAOYSA-N 1 0 405.586 1.679 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC[N@H+](CC)C(C)C)c1 ZINC000509235552 1074543234 /nfs/dbraw/zinc/54/32/34/1074543234.db2.gz BVNDDNGDGDNPOS-UHFFFAOYSA-N 1 0 405.586 1.726 20 0 HDADRO C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670482920 1074550483 /nfs/dbraw/zinc/55/04/83/1074550483.db2.gz RQTZIPNCMYGVEL-GHTZIAJQSA-N 1 0 400.567 1.751 20 0 HDADRO COc1ccc(-n2cc(CNC(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)nn2)cc1 ZINC000674777599 1074552728 /nfs/dbraw/zinc/55/27/28/1074552728.db2.gz BJRGEPGZVKIACY-INIZCTEOSA-N 1 0 413.526 1.244 20 0 HDADRO Cc1cccc(S(=O)(=O)CCCONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)c1 ZINC000766070183 1074569459 /nfs/dbraw/zinc/56/94/59/1074569459.db2.gz SRAXFHFWPMEKSI-UHFFFAOYSA-N 1 0 420.535 1.655 20 0 HDADRO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000674808872 1074575376 /nfs/dbraw/zinc/57/53/76/1074575376.db2.gz KYIYUBAQZQOOBX-SJORKVTESA-N 1 0 419.551 1.210 20 0 HDADRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000674859863 1074595180 /nfs/dbraw/zinc/59/51/80/1074595180.db2.gz QCLPQHLFZIVJCG-UHFFFAOYSA-N 1 0 400.545 1.605 20 0 HDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCO[C@H]([C@@H]4CCCO4)C3)CC2)cc1 ZINC000674913853 1074611875 /nfs/dbraw/zinc/61/18/75/1074611875.db2.gz QWMJXFVJWQMVIA-VXKWHMMOSA-N 1 0 417.550 1.609 20 0 HDADRO C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1 ZINC000674984243 1074659558 /nfs/dbraw/zinc/65/95/58/1074659558.db2.gz DQGOLHAOOBOEGH-CRAIPNDOSA-N 1 0 412.556 1.857 20 0 HDADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000674985702 1074660248 /nfs/dbraw/zinc/66/02/48/1074660248.db2.gz IUNDJJJDIRUMGN-MSOLQXFVSA-N 1 0 410.559 1.203 20 0 HDADRO C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000429308248 1074661165 /nfs/dbraw/zinc/66/11/65/1074661165.db2.gz KWXGJVFTUBTBCV-OAQYLSRUSA-N 1 0 416.566 1.972 20 0 HDADRO O=C(CCc1ccccc1)N1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000674994447 1074669209 /nfs/dbraw/zinc/66/92/09/1074669209.db2.gz QZRYIMZUXJTHEK-HBMCJLEFSA-N 1 0 414.550 1.461 20 0 HDADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)CC1 ZINC000429309787 1074669508 /nfs/dbraw/zinc/66/95/08/1074669508.db2.gz VBDOWXOUMVAVDZ-ROUUACIJSA-N 1 0 416.566 1.565 20 0 HDADRO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001168754302 1074692072 /nfs/dbraw/zinc/69/20/72/1074692072.db2.gz XZINACQTKDUAOA-ZWKOTPCHSA-N 1 0 407.486 1.805 20 0 HDADRO CC[NH+](CC)CCOCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000543611591 1074700313 /nfs/dbraw/zinc/70/03/13/1074700313.db2.gz PLIBGZSYVKTKOS-IBGZPJMESA-N 1 0 411.568 1.704 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)CCN2C1=O ZINC000675086600 1074701883 /nfs/dbraw/zinc/70/18/83/1074701883.db2.gz AFQURLRESBIFAB-LJQANCHMSA-N 1 0 413.522 1.371 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)CCN2C1=O ZINC000675086599 1074701929 /nfs/dbraw/zinc/70/19/29/1074701929.db2.gz AFQURLRESBIFAB-IBGZPJMESA-N 1 0 413.522 1.371 20 0 HDADRO Cc1nn(C)cc1[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000675087145 1074705295 /nfs/dbraw/zinc/70/52/95/1074705295.db2.gz XZUFZGFGKCODLN-IBGZPJMESA-N 1 0 405.543 1.398 20 0 HDADRO COC(=O)CCCc1nnc(NC(=O)NCC2(SC)CC[NH+](C)CC2)s1 ZINC000515256713 1074706976 /nfs/dbraw/zinc/70/69/76/1074706976.db2.gz FKSMQISDYPXQPA-UHFFFAOYSA-N 1 0 401.558 1.983 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CCN2C1=O ZINC000675095521 1074707873 /nfs/dbraw/zinc/70/78/73/1074707873.db2.gz QEWAQGVMYKXOOX-RBUKOAKNSA-N 1 0 413.522 1.577 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCC3)CCN2C1=O ZINC000675096236 1074708412 /nfs/dbraw/zinc/70/84/12/1074708412.db2.gz WYAWCBCGCRLGND-MOPGFXCFSA-N 1 0 413.522 1.810 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000477027634 1074710226 /nfs/dbraw/zinc/71/02/26/1074710226.db2.gz LBNMDJXUGOZQPU-QUCCMNQESA-N 1 0 404.555 1.331 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)CCN2C1=O ZINC000675098123 1074710178 /nfs/dbraw/zinc/71/01/78/1074710178.db2.gz PUAQULKYYAEMEA-GOSISDBHSA-N 1 0 417.510 1.195 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCC3([NH+]4CCC(OC)CC4)CCCC3)CCN2C1=O ZINC000675100189 1074717568 /nfs/dbraw/zinc/71/75/68/1074717568.db2.gz ZVBXJMPLDUMNLJ-QGZVFWFLSA-N 1 0 421.542 1.088 20 0 HDADRO CCN1C(=O)[C@H]2CN(C(=O)NCC3([NH+]4CCSCC4)CCCCC3)CCN2C1=O ZINC000675101303 1074718852 /nfs/dbraw/zinc/71/88/52/1074718852.db2.gz LQQKPFOGWYEAKO-MRXNPFEDSA-N 1 0 423.583 1.416 20 0 HDADRO CCN1C(=O)[C@@H]2CN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)CCN2C1=O ZINC000675102155 1074719244 /nfs/dbraw/zinc/71/92/44/1074719244.db2.gz PQABKHJYTDITAZ-RDJZCZTQSA-N 1 0 401.511 1.794 20 0 HDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000490467173 1074722108 /nfs/dbraw/zinc/72/21/08/1074722108.db2.gz AFFKCASUTOCHOF-HNNXBMFYSA-N 1 0 419.913 1.817 20 0 HDADRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000466665036 1074726267 /nfs/dbraw/zinc/72/62/67/1074726267.db2.gz MYUWGHZOGGQGFY-IAGOWNOFSA-N 1 0 409.552 1.338 20 0 HDADRO Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1N1CCOC1=O ZINC000766091796 1074726658 /nfs/dbraw/zinc/72/66/58/1074726658.db2.gz PFRWRGJJEBMLNL-KRWDZBQOSA-N 1 0 415.494 1.722 20 0 HDADRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)N(CCO)CCN1CCOCC1 ZINC000485537445 1074727049 /nfs/dbraw/zinc/72/70/49/1074727049.db2.gz PYZDTRIXPUXMII-UHFFFAOYSA-N 1 0 414.616 1.074 20 0 HDADRO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)nn1-c1ccc(F)cc1F ZINC000576739137 1074727835 /nfs/dbraw/zinc/72/78/35/1074727835.db2.gz SIIKXKCPRMVQFY-YOEHRIQHSA-N 1 0 417.460 2.483 20 0 HDADRO COc1ccc(C(C)(C)C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1OC ZINC000675137030 1074728624 /nfs/dbraw/zinc/72/86/24/1074728624.db2.gz MLDMQJORJQFBQW-KRWDZBQOSA-N 1 0 403.523 1.922 20 0 HDADRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000766092587 1074733305 /nfs/dbraw/zinc/73/33/05/1074733305.db2.gz BPZXORANZSXTJJ-LLVKDONJSA-N 1 0 404.383 1.421 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000477032735 1074733637 /nfs/dbraw/zinc/73/36/37/1074733637.db2.gz KHVRIMILVPGIHJ-ZWKOTPCHSA-N 1 0 404.555 1.747 20 0 HDADRO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)C1=O ZINC000675128768 1074734617 /nfs/dbraw/zinc/73/46/17/1074734617.db2.gz IPHIDGUVETYWNQ-MRXNPFEDSA-N 1 0 416.522 1.297 20 0 HDADRO Cc1cnn(-c2ccc(S(=O)(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc2F)c1 ZINC000675130677 1074736283 /nfs/dbraw/zinc/73/62/83/1074736283.db2.gz RSPIKQNQKJFMBB-QGZVFWFLSA-N 1 0 421.542 1.720 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000477033830 1074736440 /nfs/dbraw/zinc/73/64/40/1074736440.db2.gz NPBPPDZVGAGWSO-CQSZACIVSA-N 1 0 406.527 1.464 20 0 HDADRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C)CC2)nn1CCCOc1ccc(F)cc1 ZINC000504578385 1074737262 /nfs/dbraw/zinc/73/72/62/1074737262.db2.gz FWDSQEVPSOIZHZ-UHFFFAOYSA-N 1 0 417.485 1.949 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000675164924 1074746560 /nfs/dbraw/zinc/74/65/60/1074746560.db2.gz NWWFGYZZFGWTRJ-KRWDZBQOSA-N 1 0 404.511 1.920 20 0 HDADRO O=C(NCCNc1ccc(-c2ccccc2)nn1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000426580785 1074747423 /nfs/dbraw/zinc/74/74/23/1074747423.db2.gz SJCRZVGEJSNPOF-LEWJYISDSA-N 1 0 424.549 2.233 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000675185735 1074751440 /nfs/dbraw/zinc/75/14/40/1074751440.db2.gz DVBYCEDNDAHHOG-SFHVURJKSA-N 1 0 402.543 1.457 20 0 HDADRO Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC([NH2+]C(C)C)CC3)C2=O)cc1 ZINC000675189491 1074752660 /nfs/dbraw/zinc/75/26/60/1074752660.db2.gz IQFCGNPSARMTIU-LJQANCHMSA-N 1 0 400.523 1.201 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000675197422 1074755423 /nfs/dbraw/zinc/75/54/23/1074755423.db2.gz NPTWOOYICZAZFW-SFHVURJKSA-N 1 0 406.502 1.933 20 0 HDADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000675198452 1074755758 /nfs/dbraw/zinc/75/57/58/1074755758.db2.gz VMGKWOBVLKPPAA-KRWDZBQOSA-N 1 0 423.583 1.301 20 0 HDADRO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(O[C@H]2CCOC2)c1 ZINC000675201347 1074756356 /nfs/dbraw/zinc/75/63/56/1074756356.db2.gz ARJWNLJCRGLQAT-ZCNNSNEGSA-N 1 0 403.523 1.903 20 0 HDADRO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000675201148 1074756483 /nfs/dbraw/zinc/75/64/83/1074756483.db2.gz ZNUOSCHTKGOYOV-HXUWFJFHSA-N 1 0 407.603 1.837 20 0 HDADRO Cn1nc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(=O)c2ccccc21 ZINC000429323927 1074767533 /nfs/dbraw/zinc/76/75/33/1074767533.db2.gz CABQWDHMXPJURH-GOSISDBHSA-N 1 0 406.486 1.954 20 0 HDADRO CN(CCC[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)S(C)(=O)=O ZINC000675237169 1074768542 /nfs/dbraw/zinc/76/85/42/1074768542.db2.gz CWFUAQCXQWSKAV-UHFFFAOYSA-N 1 0 419.975 1.422 20 0 HDADRO CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)Cn2cnc3c2CCCC3)cc1 ZINC000543617833 1074770034 /nfs/dbraw/zinc/77/00/34/1074770034.db2.gz GLZRMFWHWXPCKG-UHFFFAOYSA-N 1 0 404.536 1.906 20 0 HDADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C2=O)cc1 ZINC000766100149 1074770423 /nfs/dbraw/zinc/77/04/23/1074770423.db2.gz YLVRRHZUCGASTO-REDKUUPNSA-N 1 0 414.506 1.405 20 0 HDADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)cc1 ZINC000766100148 1074770610 /nfs/dbraw/zinc/77/06/10/1074770610.db2.gz YLVRRHZUCGASTO-QRFQSNJMSA-N 1 0 414.506 1.405 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000477061524 1074771701 /nfs/dbraw/zinc/77/17/01/1074771701.db2.gz WDBAVKMKPPGXKD-AWEZNQCLSA-N 1 0 418.567 1.495 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000477062977 1074773375 /nfs/dbraw/zinc/77/33/75/1074773375.db2.gz ZAGGCICJCHHDRT-MJGOQNOKSA-N 1 0 406.596 1.567 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000477062968 1074773544 /nfs/dbraw/zinc/77/35/44/1074773544.db2.gz YZFSMCQPEHBNGY-CRAIPNDOSA-N 1 0 404.511 1.267 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000477070368 1074779533 /nfs/dbraw/zinc/77/95/33/1074779533.db2.gz SPGIAUOCDPFICX-MRXNPFEDSA-N 1 0 411.506 1.797 20 0 HDADRO CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H]3C=CCCC3)c2)CC1 ZINC000466670343 1074794029 /nfs/dbraw/zinc/79/40/29/1074794029.db2.gz JBOSJTDSWYHRHF-MRXNPFEDSA-N 1 0 420.535 1.176 20 0 HDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC[NH+](C)CC1 ZINC000675307064 1074795811 /nfs/dbraw/zinc/79/58/11/1074795811.db2.gz UAKWTCNDUGFMLV-SUMWQHHRSA-N 1 0 406.914 1.408 20 0 HDADRO C[C@H](C[C@@H]1CCOC1)NC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000675317518 1074797756 /nfs/dbraw/zinc/79/77/56/1074797756.db2.gz LWHRJBFJZFFQPX-UXPWSPDFSA-N 1 0 402.539 1.998 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000477104144 1074802136 /nfs/dbraw/zinc/80/21/36/1074802136.db2.gz YFVHCVVZQZWADA-INIZCTEOSA-N 1 0 422.957 1.861 20 0 HDADRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000477103906 1074802141 /nfs/dbraw/zinc/80/21/41/1074802141.db2.gz YCFZKRLRZROCOH-MRXNPFEDSA-N 1 0 422.957 1.861 20 0 HDADRO COc1cc2ncn(CCCC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c(=O)c2cc1OC ZINC001128982723 1074805491 /nfs/dbraw/zinc/80/54/91/1074805491.db2.gz PMYWHNYMOVUFIB-MQVJKMGUSA-N 1 0 414.506 1.935 20 0 HDADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)ccc3Br)CC[C@H]21 ZINC000766108693 1074813063 /nfs/dbraw/zinc/81/30/63/1074813063.db2.gz KWERAVGLVFJLBA-IAQYHMDHSA-N 1 0 416.341 1.653 20 0 HDADRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000675363743 1074814008 /nfs/dbraw/zinc/81/40/08/1074814008.db2.gz PLGLBRNLBSHIFL-XHDPSFHLSA-N 1 0 413.305 1.425 20 0 HDADRO CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429333368 1074819598 /nfs/dbraw/zinc/81/95/98/1074819598.db2.gz YTAXDWBRRSJGAZ-MSOLQXFVSA-N 1 0 411.568 1.358 20 0 HDADRO CC(C)[NH+](CCNC(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C(C)C ZINC000670503742 1074821873 /nfs/dbraw/zinc/82/18/73/1074821873.db2.gz DLTQXFNJGWKBFA-UHFFFAOYSA-N 1 0 418.538 1.010 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000670506232 1075093712 /nfs/dbraw/zinc/09/37/12/1075093712.db2.gz MCOKGFIHLABALX-KRWDZBQOSA-N 1 0 412.456 1.560 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000429334300 1075097737 /nfs/dbraw/zinc/09/77/37/1075097737.db2.gz LZQMYSJGGOPRLG-UHFFFAOYSA-N 1 0 411.510 1.802 20 0 HDADRO CCCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000441177463 1075115776 /nfs/dbraw/zinc/11/57/76/1075115776.db2.gz VHMYYIBAGQSVPG-MSOLQXFVSA-N 1 0 419.570 2.360 20 0 HDADRO CN(C(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000675379830 1075119220 /nfs/dbraw/zinc/11/92/20/1075119220.db2.gz QRNSAMFAKXGBSJ-WMLDXEAASA-N 1 0 422.888 1.396 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)C1 ZINC000675394643 1075124984 /nfs/dbraw/zinc/12/49/84/1075124984.db2.gz KHOWTXJCFRCOKD-MJGOQNOKSA-N 1 0 413.522 1.904 20 0 HDADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)CC1 ZINC000675396750 1075125977 /nfs/dbraw/zinc/12/59/77/1075125977.db2.gz KZBDZKZOVDZVMR-ZWKOTPCHSA-N 1 0 412.538 1.573 20 0 HDADRO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)CC1 ZINC000675396748 1075126012 /nfs/dbraw/zinc/12/60/12/1075126012.db2.gz KZBDZKZOVDZVMR-QZTJIDSGSA-N 1 0 412.538 1.573 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000466676531 1075129663 /nfs/dbraw/zinc/12/96/63/1075129663.db2.gz AYWZQJJLUYTNEZ-QAPCUYQASA-N 1 0 405.462 1.380 20 0 HDADRO C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000675410755 1075132649 /nfs/dbraw/zinc/13/26/49/1075132649.db2.gz LREXWLUYDDDSQY-KBPBESRZSA-N 1 0 404.467 1.026 20 0 HDADRO C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000675406724 1075133368 /nfs/dbraw/zinc/13/33/68/1075133368.db2.gz CXBALDUDZLFHMY-WBVHZDCISA-N 1 0 416.522 1.254 20 0 HDADRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000675413006 1075136758 /nfs/dbraw/zinc/13/67/58/1075136758.db2.gz AHTFXZQVNMZYPV-GUYCJALGSA-N 1 0 424.904 1.690 20 0 HDADRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000543627467 1075137690 /nfs/dbraw/zinc/13/76/90/1075137690.db2.gz CYDXCDPIBNPOPK-HNNXBMFYSA-N 1 0 417.597 1.649 20 0 HDADRO CC[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccccc1OCC(=O)NC ZINC000675420109 1075141074 /nfs/dbraw/zinc/14/10/74/1075141074.db2.gz HFLFMVSVTHHCQG-KRWDZBQOSA-N 1 0 406.527 1.361 20 0 HDADRO NS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000543629150 1075159047 /nfs/dbraw/zinc/15/90/47/1075159047.db2.gz HXZBMLORBPJWQC-QGZVFWFLSA-N 1 0 410.540 1.836 20 0 HDADRO C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)C1 ZINC000675461535 1075163360 /nfs/dbraw/zinc/16/33/60/1075163360.db2.gz NJUIJAOIBOHWSI-HNNXBMFYSA-N 1 0 406.552 1.317 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000435261120 1075163574 /nfs/dbraw/zinc/16/35/74/1075163574.db2.gz XICYOAWGPYYGCA-UHFFFAOYSA-N 1 0 421.432 2.466 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000435253152 1075163842 /nfs/dbraw/zinc/16/38/42/1075163842.db2.gz BMMNHISAWVMIPH-UHFFFAOYSA-N 1 0 419.489 2.145 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000427390645 1075163995 /nfs/dbraw/zinc/16/39/95/1075163995.db2.gz KOZYDSNYJUHBSF-OAHLLOKOSA-N 1 0 410.409 1.810 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000511920104 1075164176 /nfs/dbraw/zinc/16/41/76/1075164176.db2.gz WERLTVHTWNFBCW-QFIPXVFZSA-N 1 0 403.442 1.906 20 0 HDADRO COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)Nc2cc3n(n2)CCCC3)CC1 ZINC000499200258 1075164801 /nfs/dbraw/zinc/16/48/01/1075164801.db2.gz BKWMDYYAWMCUCN-UHFFFAOYSA-N 1 0 405.543 1.755 20 0 HDADRO Cn1c2ccc(S(=O)(=O)N3C[C@@H](C[NH+](C)C)Oc4ccccc43)cc2oc1=O ZINC000675469616 1075165034 /nfs/dbraw/zinc/16/50/34/1075165034.db2.gz OLUBGFSJUNGUQQ-CYBMUJFWSA-N 1 0 403.460 1.649 20 0 HDADRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000433879228 1075165085 /nfs/dbraw/zinc/16/50/85/1075165085.db2.gz UYSXWTLMVPUOQF-CQSZACIVSA-N 1 0 401.492 1.767 20 0 HDADRO CCS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1 ZINC000675469517 1075165059 /nfs/dbraw/zinc/16/50/59/1075165059.db2.gz NNRWNLHAFIIIBB-HNNXBMFYSA-N 1 0 424.544 1.998 20 0 HDADRO O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000532020763 1075166938 /nfs/dbraw/zinc/16/69/38/1075166938.db2.gz OBOHMSPMGRJHDG-CYBMUJFWSA-N 1 0 422.411 1.921 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccnc2-n2cncn2)C[N@@H+]1Cc1ccccc1 ZINC000466681210 1075169051 /nfs/dbraw/zinc/16/90/51/1075169051.db2.gz NKMOLSVPNWLZKT-WBVHZDCISA-N 1 0 405.462 1.380 20 0 HDADRO O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000144361210 1075169901 /nfs/dbraw/zinc/16/99/01/1075169901.db2.gz JHQPEEPBSBXAIO-OAQYLSRUSA-N 1 0 419.485 1.206 20 0 HDADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000675481431 1075171416 /nfs/dbraw/zinc/17/14/16/1075171416.db2.gz FCYPARRWHKUXMQ-OAHLLOKOSA-N 1 0 415.460 1.947 20 0 HDADRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429352409 1075171393 /nfs/dbraw/zinc/17/13/93/1075171393.db2.gz WKKYKNYKJJAJBW-UHOSZYNNSA-N 1 0 411.568 1.358 20 0 HDADRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000766145484 1075172613 /nfs/dbraw/zinc/17/26/13/1075172613.db2.gz OOQPHEZZZJBFSD-VBQJREDUSA-N 1 0 404.554 1.614 20 0 HDADRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cn(-c2ccccc2)nn1 ZINC000675486252 1075173044 /nfs/dbraw/zinc/17/30/44/1075173044.db2.gz XMJWOYJPSOUOSA-QZTJIDSGSA-N 1 0 413.526 1.034 20 0 HDADRO O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000448489045 1075173964 /nfs/dbraw/zinc/17/39/64/1075173964.db2.gz VOSNIKKLVHRGHD-UHFFFAOYSA-N 1 0 409.412 2.118 20 0 HDADRO CN(CC(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21)S(=O)(=O)c1cccnc1 ZINC000675491416 1075175598 /nfs/dbraw/zinc/17/55/98/1075175598.db2.gz LSQMZHJFXORCKS-OAHLLOKOSA-N 1 0 404.492 1.058 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)c2ccccc2O1 ZINC000675491772 1075176319 /nfs/dbraw/zinc/17/63/19/1075176319.db2.gz MVIJDYKGCWKQQL-AWEZNQCLSA-N 1 0 423.560 1.809 20 0 HDADRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)c1 ZINC000675500295 1075180349 /nfs/dbraw/zinc/18/03/49/1075180349.db2.gz KSXLWFVUJPCFRV-QHCPKHFHSA-N 1 0 417.550 1.943 20 0 HDADRO Cc1c(C(=O)NC[C@H](CO)Cc2ccco2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000675515803 1075181445 /nfs/dbraw/zinc/18/14/45/1075181445.db2.gz ADNBCAGIYWSDSN-MRXNPFEDSA-N 1 0 409.490 1.738 20 0 HDADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000675511406 1075189409 /nfs/dbraw/zinc/18/94/09/1075189409.db2.gz HALJBNXEGMLPSB-KGLIPLIRSA-N 1 0 409.533 1.771 20 0 HDADRO CCn1c2ccc(C(=O)N3C[C@H](C[NH+](C)C)Oc4ccccc43)cc2[nH]c(=O)c1=O ZINC000675511316 1075189749 /nfs/dbraw/zinc/18/97/49/1075189749.db2.gz DNRSKVYRHVFQTC-HNNXBMFYSA-N 1 0 408.458 1.679 20 0 HDADRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c2ccccc2O1 ZINC000675511905 1075190696 /nfs/dbraw/zinc/19/06/96/1075190696.db2.gz ZBUXWYVSYPMKMI-KSFYIVLOSA-N 1 0 408.458 1.711 20 0 HDADRO CC(C)=CCCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000675531275 1075192135 /nfs/dbraw/zinc/19/21/35/1075192135.db2.gz SOJOHRNOPLTMEJ-HXUWFJFHSA-N 1 0 413.566 1.915 20 0 HDADRO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC1CC[NH+]([C@@H]3CCOC3)CC1)C2=O ZINC000675537183 1075194149 /nfs/dbraw/zinc/19/41/49/1075194149.db2.gz YKQSRFFOBIMIEZ-ZDPZECHZSA-N 1 0 420.554 1.493 20 0 HDADRO COc1ccc(C)cc1N1C[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000675537746 1075195169 /nfs/dbraw/zinc/19/51/69/1075195169.db2.gz JTMRWEVCWWOWFF-FUHWJXTLSA-N 1 0 401.507 1.726 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000675538059 1075195231 /nfs/dbraw/zinc/19/52/31/1075195231.db2.gz AXYVCTBNJIARPC-LJQANCHMSA-N 1 0 421.563 1.844 20 0 HDADRO COc1cccc(C[C@@H](C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)n2nnnc2C)c1 ZINC000675541234 1075196918 /nfs/dbraw/zinc/19/69/18/1075196918.db2.gz MDGCFZRDXGRJLT-ICSRJNTNSA-N 1 0 414.510 1.143 20 0 HDADRO C[NH+]1CCC(CNC(=O)N2CCC(S(C)(=O)=O)CC2)(N2CCCCC2)CC1 ZINC000675541792 1075197909 /nfs/dbraw/zinc/19/79/09/1075197909.db2.gz VQKWOMCMJCFDCT-UHFFFAOYSA-N 1 0 400.589 1.155 20 0 HDADRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000466685139 1075201470 /nfs/dbraw/zinc/20/14/70/1075201470.db2.gz WBEOGFZTYONOPX-CRAIPNDOSA-N 1 0 415.515 1.808 20 0 HDADRO O=C(Nc1ccn(Cc2ccncc2)n1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000504523594 1075201734 /nfs/dbraw/zinc/20/17/34/1075201734.db2.gz FPVWIQXTBJGMGI-UHFFFAOYSA-N 1 0 418.501 1.999 20 0 HDADRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC[NH+]2CCCCC2)c1 ZINC000923223804 1075206227 /nfs/dbraw/zinc/20/62/27/1075206227.db2.gz FHILGQCDCNSQES-UHFFFAOYSA-N 1 0 404.916 1.907 20 0 HDADRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)CC(C)C ZINC000524086203 1075210606 /nfs/dbraw/zinc/21/06/06/1075210606.db2.gz LSEIRICFKOKDEX-KRWDZBQOSA-N 1 0 408.547 1.620 20 0 HDADRO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000675580959 1075211997 /nfs/dbraw/zinc/21/19/97/1075211997.db2.gz UMXDOABOFNFVAY-HXUWFJFHSA-N 1 0 406.571 1.921 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000804219397 1075213635 /nfs/dbraw/zinc/21/36/35/1075213635.db2.gz XDFQUHULMVXJDR-HRAATJIYSA-N 1 0 410.559 1.692 20 0 HDADRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675584697 1075214251 /nfs/dbraw/zinc/21/42/51/1075214251.db2.gz ILKPVWJJLQVUCQ-UXHICEINSA-N 1 0 411.506 1.954 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1)c1cccc(F)c1 ZINC000675584931 1075214328 /nfs/dbraw/zinc/21/43/28/1075214328.db2.gz NECZJBINWDRZMJ-ROUUACIJSA-N 1 0 403.458 1.559 20 0 HDADRO COCC[NH+]1CCC(NC(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000543636484 1075215366 /nfs/dbraw/zinc/21/53/66/1075215366.db2.gz ZNKWWIWZQBGVFJ-UHFFFAOYSA-N 1 0 410.540 1.668 20 0 HDADRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675585819 1075215746 /nfs/dbraw/zinc/21/57/46/1075215746.db2.gz DPCGYPVLNLLGFL-FQEVSTJZSA-N 1 0 411.506 1.913 20 0 HDADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)C1 ZINC000675586638 1075217540 /nfs/dbraw/zinc/21/75/40/1075217540.db2.gz WVUIUMWNSMAVFE-ZHALLVOQSA-N 1 0 405.543 1.875 20 0 HDADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC[N@@H+]2CCCOCC2)nc1 ZINC000445664021 1075220045 /nfs/dbraw/zinc/22/00/45/1075220045.db2.gz JLAKKPNVYFPBQH-UHFFFAOYSA-N 1 0 404.536 2.431 20 0 HDADRO CCOc1cccc([C@@H](C)NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000478473437 1075220841 /nfs/dbraw/zinc/22/08/41/1075220841.db2.gz CZCPHTSWSGJOHT-MRXNPFEDSA-N 1 0 418.538 1.321 20 0 HDADRO CN(C(=O)CNC(=O)c1c(F)cccc1Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675606189 1075222243 /nfs/dbraw/zinc/22/22/43/1075222243.db2.gz YBBPFZJNBMCJFT-HNNXBMFYSA-N 1 0 410.921 1.836 20 0 HDADRO CN(C(=O)CNC(=O)c1c(F)cccc1Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675606193 1075222306 /nfs/dbraw/zinc/22/23/06/1075222306.db2.gz YBBPFZJNBMCJFT-OAHLLOKOSA-N 1 0 410.921 1.836 20 0 HDADRO CC(=O)N(Cc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1)C1CC1 ZINC000675607279 1075223546 /nfs/dbraw/zinc/22/35/46/1075223546.db2.gz FHPMVEIUQZOCSR-UHFFFAOYSA-N 1 0 412.494 1.533 20 0 HDADRO O=C(Nc1cnn(C[C@H]2CCCO2)c1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000675589877 1075228449 /nfs/dbraw/zinc/22/84/49/1075228449.db2.gz CSDMABWTPVBAKW-LJQANCHMSA-N 1 0 403.527 1.725 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000490443546 1075229799 /nfs/dbraw/zinc/22/97/99/1075229799.db2.gz KAUXYUYTAFRIMQ-LBPRGKRZSA-N 1 0 410.400 1.825 20 0 HDADRO COC[C@@H](C)n1ccc(NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)n1 ZINC000555315395 1075230092 /nfs/dbraw/zinc/23/00/92/1075230092.db2.gz DONYKMFHANLZJD-CZUORRHYSA-N 1 0 401.467 2.053 20 0 HDADRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccn(Cc4ccc(OC)cc4)n3)C2)CC1 ZINC000429991905 1075233923 /nfs/dbraw/zinc/23/39/23/1075233923.db2.gz YBJZEQHPJFKRTJ-LJQANCHMSA-N 1 0 412.538 2.184 20 0 HDADRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3nn(-c4ncccc4F)cc3C)C2)CC1 ZINC000448333127 1075234305 /nfs/dbraw/zinc/23/43/05/1075234305.db2.gz APRVIPGXDVOOSC-INIZCTEOSA-N 1 0 401.490 1.959 20 0 HDADRO C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000546797875 1075240957 /nfs/dbraw/zinc/24/09/57/1075240957.db2.gz LJEPNDRLNXHASM-LBPRGKRZSA-N 1 0 401.495 1.683 20 0 HDADRO C[C@@H](C(=O)N1CCCC1)N1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509357381 1075241646 /nfs/dbraw/zinc/24/16/46/1075241646.db2.gz KNJBIDQKOZHLIG-QFIPXVFZSA-N 1 0 413.610 1.827 20 0 HDADRO C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000675621864 1075242030 /nfs/dbraw/zinc/24/20/30/1075242030.db2.gz QCFAAXKJNYPASE-DGCLKSJQSA-N 1 0 400.292 1.846 20 0 HDADRO COC[C@H](C)n1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000426704794 1075245965 /nfs/dbraw/zinc/24/59/65/1075245965.db2.gz MJPKLGSEAUZYMZ-HKUYNNGSSA-N 1 0 413.522 1.710 20 0 HDADRO CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000675643078 1075246379 /nfs/dbraw/zinc/24/63/79/1075246379.db2.gz TVDFEPCTFYCKJG-LJQANCHMSA-N 1 0 409.552 1.644 20 0 HDADRO CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C3)CC[N@@H+]1C ZINC001005751812 1075251935 /nfs/dbraw/zinc/25/19/35/1075251935.db2.gz WESFSUBKQCAGLM-ZRSRNVLSSA-N 1 0 401.555 1.676 20 0 HDADRO CN(C)S(=O)(=O)CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000509364239 1075259329 /nfs/dbraw/zinc/25/93/29/1075259329.db2.gz DORWSAYLOMFHOR-UHFFFAOYSA-N 1 0 418.357 1.991 20 0 HDADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000675699208 1075260195 /nfs/dbraw/zinc/26/01/95/1075260195.db2.gz RKUPZHHAQRBPAZ-YOEHRIQHSA-N 1 0 422.551 1.302 20 0 HDADRO Cn1ccc(C(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)cc1=O ZINC001129046205 1075262868 /nfs/dbraw/zinc/26/28/68/1075262868.db2.gz YWDQRDLRBKMVQT-UHFFFAOYSA-N 1 0 410.518 1.487 20 0 HDADRO Cc1ccc(NC(=O)CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000429377724 1075267009 /nfs/dbraw/zinc/26/70/09/1075267009.db2.gz NLGQAAXIEADJLH-MRXNPFEDSA-N 1 0 422.595 1.990 20 0 HDADRO CN(C)c1cnc(C(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)cn1 ZINC001129050723 1075267426 /nfs/dbraw/zinc/26/74/26/1075267426.db2.gz UVCPFTQAKDFYAH-UHFFFAOYSA-N 1 0 424.549 1.644 20 0 HDADRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000675764976 1075268624 /nfs/dbraw/zinc/26/86/24/1075268624.db2.gz YTKNZNNNLTVBLL-AWEZNQCLSA-N 1 0 411.549 1.495 20 0 HDADRO Cn1nc2c(c1C(=O)N1CCC(C(=O)NCCC[NH+]3CCCC3)CC1)CCCC2 ZINC000675794714 1075270075 /nfs/dbraw/zinc/27/00/75/1075270075.db2.gz SVKKDHUDSDPTEY-UHFFFAOYSA-N 1 0 401.555 1.753 20 0 HDADRO COCC[N@@H+]1CCC[C@H](NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000675786721 1075271565 /nfs/dbraw/zinc/27/15/65/1075271565.db2.gz ZSFZWDZAQSYGMP-IBGZPJMESA-N 1 0 402.539 1.342 20 0 HDADRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000675817570 1075276429 /nfs/dbraw/zinc/27/64/29/1075276429.db2.gz SXAFDOGMYWQZPW-OAHLLOKOSA-N 1 0 409.556 1.198 20 0 HDADRO COc1cccc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)CCO2)c1 ZINC000675821633 1075277606 /nfs/dbraw/zinc/27/76/06/1075277606.db2.gz KFLJGWAXUNGDSP-NQIIRXRSSA-N 1 0 402.539 1.947 20 0 HDADRO CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1 ZINC001129074292 1075278972 /nfs/dbraw/zinc/27/89/72/1075278972.db2.gz QVLNQNUETKPGON-MJGOQNOKSA-N 1 0 407.536 1.452 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)C[N@@H+]1Cc1ccccc1 ZINC000466698423 1075279285 /nfs/dbraw/zinc/27/92/85/1075279285.db2.gz XLPBVSNCJYDOHF-QFBILLFUSA-N 1 0 404.474 1.985 20 0 HDADRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C[N@@H+]1Cc1ccccc1 ZINC000466701990 1075282250 /nfs/dbraw/zinc/28/22/50/1075282250.db2.gz ANPXNEZZXUGXKS-MAUKXSAKSA-N 1 0 422.485 1.760 20 0 HDADRO Cc1ccc(Cc2nnc(NC(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)s2)cc1 ZINC000466133189 1075287107 /nfs/dbraw/zinc/28/71/07/1075287107.db2.gz DSGNTCPAEHQENG-MRXNPFEDSA-N 1 0 402.568 2.442 20 0 HDADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 ZINC000675917754 1075291088 /nfs/dbraw/zinc/29/10/88/1075291088.db2.gz CPLILOUHVJMUIU-KRWDZBQOSA-N 1 0 418.925 1.845 20 0 HDADRO CCOC(=O)c1c(C(C)C)csc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000550799265 1075292871 /nfs/dbraw/zinc/29/28/71/1075292871.db2.gz DLRZHUYWLJMZDO-UHFFFAOYSA-N 1 0 421.523 2.384 20 0 HDADRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)C[N@@H+]1Cc1ccccc1 ZINC000466706635 1075297588 /nfs/dbraw/zinc/29/75/88/1075297588.db2.gz QSQJZEHPGZPSIL-PBHICJAKSA-N 1 0 408.458 1.849 20 0 HDADRO Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1-c1ncco1 ZINC000675928113 1075305507 /nfs/dbraw/zinc/30/55/07/1075305507.db2.gz IMTUEVIVXNDPJS-GOSISDBHSA-N 1 0 411.506 1.827 20 0 HDADRO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000544199502 1075307752 /nfs/dbraw/zinc/30/77/52/1075307752.db2.gz DPILZPGRJQIEQW-INIZCTEOSA-N 1 0 419.526 1.650 20 0 HDADRO COc1ccccc1N(CCC(N)=O)C(=O)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429387848 1075308753 /nfs/dbraw/zinc/30/87/53/1075308753.db2.gz PTXUPJKJTXACGJ-QGZVFWFLSA-N 1 0 402.539 1.710 20 0 HDADRO CCOc1cc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc2nc(C(F)(F)F)nn21 ZINC000675959405 1075309158 /nfs/dbraw/zinc/30/91/58/1075309158.db2.gz GJVGTUMBSTVAIN-KGLIPLIRSA-N 1 0 414.432 1.573 20 0 HDADRO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000731353846 1075316988 /nfs/dbraw/zinc/31/69/88/1075316988.db2.gz LQSLAOZVZAVDJE-AWEZNQCLSA-N 1 0 403.508 1.145 20 0 HDADRO COc1cc(C[NH2+]C[C@@]2(O)CCCc3ccccc32)cc(OC)c1OCC(N)=O ZINC000731361024 1075320978 /nfs/dbraw/zinc/32/09/78/1075320978.db2.gz WGSGILHSDDZHRI-QFIPXVFZSA-N 1 0 400.475 1.882 20 0 HDADRO CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)C[C@@]3(C)CCS(=O)(=O)N3)CC2)cc1 ZINC001129157265 1075322735 /nfs/dbraw/zinc/32/27/35/1075322735.db2.gz FABZCELNTZHALG-HXUWFJFHSA-N 1 0 422.551 1.198 20 0 HDADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)Nc1cc2n(n1)CCCC2 ZINC000574934272 1075327263 /nfs/dbraw/zinc/32/72/63/1075327263.db2.gz HAZKQCDBGGKDCB-UHFFFAOYSA-N 1 0 419.551 2.010 20 0 HDADRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)[NH+](C)C)cc1 ZINC000468469234 1075331049 /nfs/dbraw/zinc/33/10/49/1075331049.db2.gz UVYYXLSQZGTMLY-HXUWFJFHSA-N 1 0 420.517 2.187 20 0 HDADRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000533459157 1075335542 /nfs/dbraw/zinc/33/55/42/1075335542.db2.gz MDQNGPQQTTZORL-AZUAARDMSA-N 1 0 413.522 1.976 20 0 HDADRO COCC(=O)N1CCc2c1cccc2NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000543653872 1075337530 /nfs/dbraw/zinc/33/75/30/1075337530.db2.gz VKMIYCIXUDAKTA-PMACEKPBSA-N 1 0 416.522 1.721 20 0 HDADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000676044869 1075338771 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XXXIOMBJYLYJCB-HXUWFJFHSA-N 1 0 421.501 2.547 20 0 HDADRO CC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(OC)c(OC)c1 ZINC000506955931 1075460641 /nfs/dbraw/zinc/46/06/41/1075460641.db2.gz UQVZDLYPWAHSNM-OAHLLOKOSA-N 1 0 403.483 1.668 20 0 HDADRO CCNS(=O)(=O)CC[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000731677797 1075461408 /nfs/dbraw/zinc/46/14/08/1075461408.db2.gz RBRCDZZYTPEKAJ-UHFFFAOYSA-N 1 0 410.565 1.676 20 0 HDADRO C[N@H+](CCCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1)C1CCCCC1 ZINC000731680472 1075462311 /nfs/dbraw/zinc/46/23/11/1075462311.db2.gz MXXMCTPYYLCEKO-UHFFFAOYSA-N 1 0 402.605 1.449 20 0 HDADRO NS(=O)(=O)c1cc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cs1 ZINC000509396010 1075463779 /nfs/dbraw/zinc/46/37/79/1075463779.db2.gz FRLUMUSEEQWCJC-UHFFFAOYSA-N 1 0 401.554 1.360 20 0 HDADRO C[C@@H](NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[C@@H]1CN(C)CCO1 ZINC000676249653 1075467431 /nfs/dbraw/zinc/46/74/31/1075467431.db2.gz RDWXMPAKHCMKPO-NQIIRXRSSA-N 1 0 419.570 1.178 20 0 HDADRO C[C@H](NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[C@@H]1CN(C)CCO1 ZINC000676249654 1075467482 /nfs/dbraw/zinc/46/74/82/1075467482.db2.gz RDWXMPAKHCMKPO-RXVVDRJESA-N 1 0 419.570 1.178 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000804220634 1075472783 /nfs/dbraw/zinc/47/27/83/1075472783.db2.gz GPXFGNSHGFMOBM-YESZJQIVSA-N 1 0 410.559 1.833 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CN(C)CCO1 ZINC000676278774 1075479878 /nfs/dbraw/zinc/47/98/78/1075479878.db2.gz JRFNSPPPYQLQJU-PXNSSMCTSA-N 1 0 402.539 1.489 20 0 HDADRO C[C@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CN(C)CCO1 ZINC000676279798 1075482667 /nfs/dbraw/zinc/48/26/67/1075482667.db2.gz QHWXPAVEWPUFSF-YJBOKZPZSA-N 1 0 406.552 1.009 20 0 HDADRO COc1cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)ccc1OCC(=O)N1CCOCC1 ZINC000509399619 1075486840 /nfs/dbraw/zinc/48/68/40/1075486840.db2.gz ABGMOEGVAXDWTK-MSOLQXFVSA-N 1 0 417.506 1.176 20 0 HDADRO 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C[NH+](C)CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)cc1Cl ZINC000509407367 1075517177 /nfs/dbraw/zinc/51/71/77/1075517177.db2.gz YVENHYJWTYJCPJ-KRWDZBQOSA-N 1 0 419.909 1.939 20 0 HDADRO CCN1CCN(c2ccc(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)cc2F)CC1 ZINC000676343549 1075517446 /nfs/dbraw/zinc/51/74/46/1075517446.db2.gz UAOQGWRBSZZCLA-IBGZPJMESA-N 1 0 404.530 1.951 20 0 HDADRO CC(C)(CO)CNC(=O)C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000676361591 1075524491 /nfs/dbraw/zinc/52/44/91/1075524491.db2.gz PQTTYVZWZVSWES-UHFFFAOYSA-N 1 0 404.511 1.574 20 0 HDADRO CO[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000467568796 1075527333 /nfs/dbraw/zinc/52/73/33/1075527333.db2.gz PLAWGZLGFSNCLP-CRAIPNDOSA-N 1 0 404.511 1.755 20 0 HDADRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429428538 1075527691 /nfs/dbraw/zinc/52/76/91/1075527691.db2.gz PHHBHTGBYWLLIW-AWEZNQCLSA-N 1 0 402.499 2.153 20 0 HDADRO Cc1nc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)no1 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Cc1cc(NC(=O)C(=O)NCc2cocn2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000676453587 1075558950 /nfs/dbraw/zinc/55/89/50/1075558950.db2.gz YORBGHURAAMRBR-GOSISDBHSA-N 1 0 408.462 1.881 20 0 HDADRO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676478728 1075565961 /nfs/dbraw/zinc/56/59/61/1075565961.db2.gz OTNLCCYQFYXRPV-ZMSDIMECSA-N 1 0 405.524 1.433 20 0 HDADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000676501189 1075569794 /nfs/dbraw/zinc/56/97/94/1075569794.db2.gz PIQANGCQKRITBW-ZFWWWQNUSA-N 1 0 405.465 1.007 20 0 HDADRO COc1cc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OCC(N)=O ZINC000731919122 1075571199 /nfs/dbraw/zinc/57/11/99/1075571199.db2.gz QPFMRGKIRGCVHV-QGZVFWFLSA-N 1 0 414.458 1.999 20 0 HDADRO Cc1cc(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)ccc1S(N)(=O)=O ZINC000676538178 1075579580 /nfs/dbraw/zinc/57/95/80/1075579580.db2.gz LCRXCFFCNXAKGB-INIZCTEOSA-N 1 0 403.508 1.430 20 0 HDADRO Cc1ccc(Cn2nccc2NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000676550550 1075583166 /nfs/dbraw/zinc/58/31/66/1075583166.db2.gz LEWGPPILTCYYBA-KRWDZBQOSA-N 1 0 414.510 1.010 20 0 HDADRO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCNS(=O)(=O)NC(C)C)cc1 ZINC000429447609 1075585166 /nfs/dbraw/zinc/58/51/66/1075585166.db2.gz SBQHGHHEOUXDJZ-ZWKOTPCHSA-N 1 0 417.597 1.502 20 0 HDADRO COC1CC[NH+](CCNC(=O)C(=O)Nc2ccnn2Cc2ccc(C)s2)CC1 ZINC000676554067 1075587060 /nfs/dbraw/zinc/58/70/60/1075587060.db2.gz RYHLWZJFVMKTIV-UHFFFAOYSA-N 1 0 405.524 1.467 20 0 HDADRO C[NH+](C)CCCOc1cccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 ZINC000732030668 1075590540 /nfs/dbraw/zinc/59/05/40/1075590540.db2.gz NONKBWBSQCNBNN-UHFFFAOYSA-N 1 0 404.492 1.453 20 0 HDADRO COCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000429445512 1075590700 /nfs/dbraw/zinc/59/07/00/1075590700.db2.gz DFQXVKKIAYFHTH-CQSZACIVSA-N 1 0 412.918 1.056 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cnn(Cc2ccccn2)c1)c1cccc(F)c1 ZINC000676545513 1075592105 /nfs/dbraw/zinc/59/21/05/1075592105.db2.gz UVMHGXFFGOWQRF-IBGZPJMESA-N 1 0 410.453 1.823 20 0 HDADRO CON(C)S(=O)(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1Cl ZINC000732035808 1075592120 /nfs/dbraw/zinc/59/21/20/1075592120.db2.gz QYFSCSXQVJAUPW-AWEZNQCLSA-N 1 0 401.916 1.831 20 0 HDADRO O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000676546636 1075593757 /nfs/dbraw/zinc/59/37/57/1075593757.db2.gz KOHXDWMRWUGHKQ-ZDUSSCGKSA-N 1 0 403.405 1.097 20 0 HDADRO CNC(=O)c1cncc(/C=C/C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000732058444 1075596874 /nfs/dbraw/zinc/59/68/74/1075596874.db2.gz YJGZSLOZPAWMNB-CMDGGOBGSA-N 1 0 407.518 1.783 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CNC(=O)OCC(F)(F)F)CC1 ZINC000732061953 1075598686 /nfs/dbraw/zinc/59/86/86/1075598686.db2.gz NYLNSDPHGVFIQD-UHFFFAOYSA-N 1 0 424.464 1.218 20 0 HDADRO CC(C)(C)N1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1=O ZINC000429447973 1075601973 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C[C@@H]1CCCC[N@@H+]1CC(N)=NOCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000732195068 1075656575 /nfs/dbraw/zinc/65/65/75/1075656575.db2.gz HRWJKVJPBVEPRX-CQSZACIVSA-N 1 0 411.528 1.248 20 0 HDADRO COC(=O)CN(C)C(=O)CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000732197518 1075657859 /nfs/dbraw/zinc/65/78/59/1075657859.db2.gz RSAMIQAOGGZVKN-UHFFFAOYSA-N 1 0 405.451 1.087 20 0 HDADRO COCc1ncc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c(N)n1 ZINC000498639678 1075666021 /nfs/dbraw/zinc/66/60/21/1075666021.db2.gz TVOZJXZGNMULJV-UHFFFAOYSA-N 1 0 403.458 1.618 20 0 HDADRO O=C(C[N@@H+]1CCCC[C@H]1CN1CCOCC1)NCc1ccc(N2CCCC2=O)cc1 ZINC000732210655 1075666781 /nfs/dbraw/zinc/66/67/81/1075666781.db2.gz BPJPGPSAXQTHCV-NRFANRHFSA-N 1 0 414.550 1.616 20 0 HDADRO O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)N1CCN(Cc2ccsc2)CC1 ZINC000732210747 1075667214 /nfs/dbraw/zinc/66/72/14/1075667214.db2.gz KKKGCYZEQRDMRG-LJQANCHMSA-N 1 0 404.580 1.869 20 0 HDADRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000732211679 1075668086 /nfs/dbraw/zinc/66/80/86/1075668086.db2.gz LNFIMMNTYJXWGZ-HXUWFJFHSA-N 1 0 400.523 1.939 20 0 HDADRO CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732214745 1075669949 /nfs/dbraw/zinc/66/99/49/1075669949.db2.gz VKJGAGJTZXBOMR-GCJKJVERSA-N 1 0 413.522 1.129 20 0 HDADRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CN(C)CCO1 ZINC000676740304 1075672256 /nfs/dbraw/zinc/67/22/56/1075672256.db2.gz UAPYBBZMRFMFSU-YSIASYRMSA-N 1 0 416.566 1.239 20 0 HDADRO O=C(NCCN1C(=O)CSC1=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000732243816 1075678259 /nfs/dbraw/zinc/67/82/59/1075678259.db2.gz VLJZXONERGXURK-UHFFFAOYSA-N 1 0 406.508 1.656 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000732245025 1075678586 /nfs/dbraw/zinc/67/85/86/1075678586.db2.gz QRPPVOWAUTWUPI-MRXNPFEDSA-N 1 0 411.547 1.239 20 0 HDADRO CCc1ccccc1Nc1nc(N)nc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1 ZINC000488678235 1075684676 /nfs/dbraw/zinc/68/46/76/1075684676.db2.gz NXFCIZGOBHDKLK-INIZCTEOSA-N 1 0 411.554 1.867 20 0 HDADRO CCc1ccccc1Nc1nc(N)nc(CN2CCN(c3cc[nH+]cc3OC)CC2)n1 ZINC000483195778 1075685136 /nfs/dbraw/zinc/68/51/36/1075685136.db2.gz MMUPVWMJUKUYAD-UHFFFAOYSA-N 1 0 420.521 1.908 20 0 HDADRO COC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000141615299 1075686252 /nfs/dbraw/zinc/68/62/52/1075686252.db2.gz XDWKGRUKTWXPDJ-KRWDZBQOSA-N 1 0 406.483 1.301 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000804216238 1075690582 /nfs/dbraw/zinc/69/05/82/1075690582.db2.gz DJIHMQQATFCPTE-IRXDYDNUSA-N 1 0 412.575 1.938 20 0 HDADRO COCC(C)(C)[N@H+](C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000429255785 1075692059 /nfs/dbraw/zinc/69/20/59/1075692059.db2.gz UIPFQRIZXWQOOQ-UHFFFAOYSA-N 1 0 411.547 1.533 20 0 HDADRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000441020151 1075700161 /nfs/dbraw/zinc/70/01/61/1075700161.db2.gz 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C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000509252542 1075715961 /nfs/dbraw/zinc/71/59/61/1075715961.db2.gz ARFQHZLOAAZLIF-GJZGRUSLSA-N 1 0 400.570 1.352 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000429470564 1075717254 /nfs/dbraw/zinc/71/72/54/1075717254.db2.gz PKSZYQPYEAAHFQ-QGZVFWFLSA-N 1 0 424.549 1.577 20 0 HDADRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn(-c3ccccc3)n2)Cc2ccccc2C1 ZINC000441906329 1075717618 /nfs/dbraw/zinc/71/76/18/1075717618.db2.gz DUKYWFZXHVWTKK-UHFFFAOYSA-N 1 0 403.486 2.026 20 0 HDADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000429470360 1075718261 /nfs/dbraw/zinc/71/82/61/1075718261.db2.gz GRESNMBXZOCQCE-OAHLLOKOSA-N 1 0 414.535 1.318 20 0 HDADRO O=C(COC(=O)c1ccc(CSc2nc[nH]n2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000732352423 1075720318 /nfs/dbraw/zinc/72/03/18/1075720318.db2.gz HUEIALRDETTYJP-UHFFFAOYSA-N 1 0 415.519 1.997 20 0 HDADRO Cn1cnc(NC(=O)C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000576961654 1075720335 /nfs/dbraw/zinc/72/03/35/1075720335.db2.gz BLHVNUABKNJERF-UHFFFAOYSA-N 1 0 413.309 2.041 20 0 HDADRO CN(C)CC[N@H+](C)CCCNc1ncnc2ccc(I)cc21 ZINC000554689625 1075721294 /nfs/dbraw/zinc/72/12/94/1075721294.db2.gz IACFGXSLKVBVQC-UHFFFAOYSA-N 1 0 413.307 2.530 20 0 HDADRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC[N@@H+]1C ZINC000556203871 1075722722 /nfs/dbraw/zinc/72/27/22/1075722722.db2.gz CXAYADMYQCKXOQ-UKRRQHHQSA-N 1 0 415.460 1.960 20 0 HDADRO COC(=O)COc1ccc(S(=O)(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000466743217 1075725815 /nfs/dbraw/zinc/72/58/15/1075725815.db2.gz KCZZRESDTYNCLN-UHFFFAOYSA-N 1 0 406.504 1.821 20 0 HDADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)Nc2nc3ccccn3n2)CC1 ZINC000546820873 1075726759 /nfs/dbraw/zinc/72/67/59/1075726759.db2.gz SVFXANQBFNUKJL-UHFFFAOYSA-N 1 0 409.494 2.024 20 0 HDADRO CN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000442457297 1075728143 /nfs/dbraw/zinc/72/81/43/1075728143.db2.gz 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C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000509442901 1075734406 /nfs/dbraw/zinc/73/44/06/1075734406.db2.gz VHPVKIQHQCBIJG-PMACEKPBSA-N 1 0 415.582 1.114 20 0 HDADRO C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)CC1 ZINC000429474633 1075735456 /nfs/dbraw/zinc/73/54/56/1075735456.db2.gz XKNTVGNKAUOIBU-AEFFLSMTSA-N 1 0 416.522 1.070 20 0 HDADRO C[C@@](O)(C1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1)C(F)(F)F ZINC000547357205 1075736077 /nfs/dbraw/zinc/73/60/77/1075736077.db2.gz WFYNBHFJXFUIAS-QGZVFWFLSA-N 1 0 411.384 1.758 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N2CCN(CCOc3ccccc3Cl)CC2)n1 ZINC000438694583 1075736100 /nfs/dbraw/zinc/73/61/00/1075736100.db2.gz AVYBDOLRHCWADZ-UHFFFAOYSA-N 1 0 420.945 2.327 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)n1 ZINC000438697877 1075738657 /nfs/dbraw/zinc/73/86/57/1075738657.db2.gz RDDCKYQWAFZCIM-OAHLLOKOSA-N 1 0 404.902 2.415 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)n1 ZINC000483928657 1075739336 /nfs/dbraw/zinc/73/93/36/1075739336.db2.gz STBJAOQPBNXUHS-UHFFFAOYSA-N 1 0 406.512 1.777 20 0 HDADRO CC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000570584347 1075739657 /nfs/dbraw/zinc/73/96/57/1075739657.db2.gz KQOMQEMZWUYUJK-UHFFFAOYSA-N 1 0 418.885 2.339 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CC1 ZINC000429472841 1075739689 /nfs/dbraw/zinc/73/96/89/1075739689.db2.gz WWMOBVGDAKGUOK-BHIYHBOVSA-N 1 0 421.586 1.265 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)n1 ZINC000542985214 1075740343 /nfs/dbraw/zinc/74/03/43/1075740343.db2.gz BFUQHFSRYJDZIL-UHFFFAOYSA-N 1 0 408.256 1.790 20 0 HDADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C(=O)C[C@H](Cc3ccc(F)cc3)C2=O)C1 ZINC000466640814 1075740612 /nfs/dbraw/zinc/74/06/12/1075740612.db2.gz HNPOKXNDNMRGPL-HKUYNNGSSA-N 1 0 419.497 1.216 20 0 HDADRO C[NH+](C)CCn1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)n1 ZINC000555118683 1075741073 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COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000611099547 1075843753 /nfs/dbraw/zinc/84/37/53/1075843753.db2.gz XBYXXBNNNAPNNU-UHFFFAOYSA-N 1 0 413.478 1.458 20 0 HDADRO CCC1(CC)[C@H]([NH2+]CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C[C@H]1OC ZINC000429295329 1075845055 /nfs/dbraw/zinc/84/50/55/1075845055.db2.gz UDLACDOZYCVQHS-IAGOWNOFSA-N 1 0 415.542 1.195 20 0 HDADRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC000732766212 1075849024 /nfs/dbraw/zinc/84/90/24/1075849024.db2.gz UNONGTFKQKJQJS-UHFFFAOYSA-N 1 0 411.572 1.877 20 0 HDADRO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000466657027 1075850149 /nfs/dbraw/zinc/85/01/49/1075850149.db2.gz BWFYHZPAPAILFM-HZPDHXFCSA-N 1 0 407.536 1.595 20 0 HDADRO CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC000567506032 1075850583 /nfs/dbraw/zinc/85/05/83/1075850583.db2.gz BLDHJYKHCMBMLL-UHFFFAOYSA-N 1 0 415.460 2.008 20 0 HDADRO Cc1cc(Br)c(F)cc1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000556181930 1075852700 /nfs/dbraw/zinc/85/27/00/1075852700.db2.gz MWRNEEJSBSLWQQ-UHFFFAOYSA-N 1 0 412.263 2.232 20 0 HDADRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cncc(I)c1 ZINC000611136920 1075857109 /nfs/dbraw/zinc/85/71/09/1075857109.db2.gz WRGXFJNCHRGZBH-CQSZACIVSA-N 1 0 401.248 1.669 20 0 HDADRO CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)nn1 ZINC000560226077 1075859290 /nfs/dbraw/zinc/85/92/90/1075859290.db2.gz XKLUFOQLYVAUHR-HNNXBMFYSA-N 1 0 405.886 2.275 20 0 HDADRO O=C(CC1CCCCC1)N1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000507155428 1075860296 /nfs/dbraw/zinc/86/02/96/1075860296.db2.gz ASBJWUSKWCCNRS-UHFFFAOYSA-N 1 0 424.505 1.847 20 0 HDADRO O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000429054961 1075862131 /nfs/dbraw/zinc/86/21/31/1075862131.db2.gz LFRAOZYUFCRBKP-AWEZNQCLSA-N 1 0 412.450 1.929 20 0 HDADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)CC2)CC1 ZINC000543607719 1075864856 /nfs/dbraw/zinc/86/48/56/1075864856.db2.gz BUFRTVOEIYHXBK-UHFFFAOYSA-N 1 0 424.549 1.461 20 0 HDADRO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(F)F)n1)[N@@H+]1CCc2ccccc2C1 ZINC000444496034 1075866448 /nfs/dbraw/zinc/86/64/48/1075866448.db2.gz HGNMELIXHCDCBY-QGZVFWFLSA-N 1 0 419.476 2.286 20 0 HDADRO CC(C)N1CC[NH+](C2CCN(CC(=O)NC(=O)NCc3cccs3)CC2)CC1 ZINC000611181013 1075868193 /nfs/dbraw/zinc/86/81/93/1075868193.db2.gz AQBLFIJBCGWIKN-UHFFFAOYSA-N 1 0 407.584 1.564 20 0 HDADRO COC(=O)c1csc(NC(=O)C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1 ZINC000611176401 1075869593 /nfs/dbraw/zinc/86/95/93/1075869593.db2.gz KQENSFDBRFPIIP-UHFFFAOYSA-N 1 0 422.551 1.490 20 0 HDADRO O=C(CN1CCC[C@@H](N2CCCCC2=O)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000732813404 1075873898 /nfs/dbraw/zinc/87/38/98/1075873898.db2.gz YJNUMMRXZYMHST-HXUWFJFHSA-N 1 0 420.598 1.615 20 0 HDADRO CCOC[C@@H](C(=O)OC)N(C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000611209094 1075874163 /nfs/dbraw/zinc/87/41/63/1075874163.db2.gz ZNVXJGNPMBCAHA-FQEVSTJZSA-N 1 0 405.539 1.539 20 0 HDADRO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000732813153 1075874599 /nfs/dbraw/zinc/87/45/99/1075874599.db2.gz IGBPONVGCKRGFU-UKRRQHHQSA-N 1 0 404.385 1.308 20 0 HDADRO CCOC(=O)c1sc(CNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)nc1C ZINC000611210484 1075875150 /nfs/dbraw/zinc/87/51/50/1075875150.db2.gz KJVDFIRGHHXDDI-GOEBONIOSA-N 1 0 423.583 1.796 20 0 HDADRO COC(=O)c1c(C)cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000611198583 1075876313 /nfs/dbraw/zinc/87/63/13/1075876313.db2.gz UNNJEROHFPDUGU-IRXDYDNUSA-N 1 0 409.552 1.428 20 0 HDADRO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000611225470 1075880871 /nfs/dbraw/zinc/88/08/71/1075880871.db2.gz LHKYRZJFMZSDTH-ZJSXRUAMSA-N 1 0 421.497 1.792 20 0 HDADRO C[C@H](CNC(=O)c1csc(CNC(=O)OC(C)(C)C)n1)C[NH+]1CCN(C)CC1 ZINC000732838691 1075883335 /nfs/dbraw/zinc/88/33/35/1075883335.db2.gz JKWDWTBUCHLXPG-CQSZACIVSA-N 1 0 411.572 1.781 20 0 HDADRO CCOC(=O)c1cccc(OC[C@@H](O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000611244142 1075884894 /nfs/dbraw/zinc/88/48/94/1075884894.db2.gz DOZYENSFMMWIGD-ICSRJNTNSA-N 1 0 419.522 1.017 20 0 HDADRO C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611244137 1075885089 /nfs/dbraw/zinc/88/50/89/1075885089.db2.gz DNUKWJQOJVOUEW-CXAGYDPISA-N 1 0 405.474 1.276 20 0 HDADRO CC[NH+](CC)CCN(C(=O)c1ccc(C(=O)OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000611245751 1075886295 /nfs/dbraw/zinc/88/62/95/1075886295.db2.gz QTSJREXFCQODMD-OAHLLOKOSA-N 1 0 414.499 1.583 20 0 HDADRO COC(=O)[C@]1(NCCN2C(=O)NC(C)(C)C2=O)CCC[N@H+](Cc2ccccc2)C1 ZINC000611266079 1075888995 /nfs/dbraw/zinc/88/89/95/1075888995.db2.gz XKCZMAQWWZLOHV-NRFANRHFSA-N 1 0 402.495 1.114 20 0 HDADRO CN(C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732885271 1075891904 /nfs/dbraw/zinc/89/19/04/1075891904.db2.gz QGMVMLIVAJTORS-MRXNPFEDSA-N 1 0 413.444 1.851 20 0 HDADRO COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)Nc1cnn(-c3cc[nH+]cc3)c1)CC2 ZINC000611297393 1075897263 /nfs/dbraw/zinc/89/72/63/1075897263.db2.gz DBTBULNUILPPOZ-UHFFFAOYSA-N 1 0 405.414 1.577 20 0 HDADRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000611321392 1075899703 /nfs/dbraw/zinc/89/97/03/1075899703.db2.gz AAQRFCXALXEZDV-MRXNPFEDSA-N 1 0 405.495 1.475 20 0 HDADRO COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000611328062 1075907854 /nfs/dbraw/zinc/90/78/54/1075907854.db2.gz MCDOETRILUAYLD-MSOLQXFVSA-N 1 0 410.559 1.014 20 0 HDADRO CCOC(=O)c1cc(NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)cn1C ZINC000611361789 1075918927 /nfs/dbraw/zinc/91/89/27/1075918927.db2.gz RGHQHKHOXKLLED-SFHVURJKSA-N 1 0 412.490 1.873 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000732930864 1075919159 /nfs/dbraw/zinc/91/91/59/1075919159.db2.gz SNLVTAOQLHATMD-VQTJNVASSA-N 1 0 415.607 1.768 20 0 HDADRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000766186566 1075925025 /nfs/dbraw/zinc/92/50/25/1075925025.db2.gz XMQZGEPBEQXNTI-IFXJQAMLSA-N 1 0 404.492 1.876 20 0 HDADRO C[NH+](C)CC(=O)N1CCN(C(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)CC1 ZINC000732955289 1075931210 /nfs/dbraw/zinc/93/12/10/1075931210.db2.gz LTUSZPJBUCXTMD-XDJHFCHBSA-N 1 0 410.474 1.283 20 0 HDADRO COC(=O)c1csc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1C ZINC000611456576 1075938692 /nfs/dbraw/zinc/93/86/92/1075938692.db2.gz YJSKKGJJTDTEHJ-HNNXBMFYSA-N 1 0 410.540 1.170 20 0 HDADRO CCN(CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000732984983 1075938843 /nfs/dbraw/zinc/93/88/43/1075938843.db2.gz JYFWIFQUIUABFV-KRWDZBQOSA-N 1 0 410.584 1.522 20 0 HDADRO COC(=O)c1csc(NC(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1C ZINC000611456996 1075939145 /nfs/dbraw/zinc/93/91/45/1075939145.db2.gz BDYZHIABTGNCGB-UHFFFAOYSA-N 1 0 416.503 1.957 20 0 HDADRO CC(C)(CNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)[NH+]1CCCCC1 ZINC000732992316 1075942379 /nfs/dbraw/zinc/94/23/79/1075942379.db2.gz UJUGRDXUIUVQTG-UHFFFAOYSA-N 1 0 410.531 1.815 20 0 HDADRO C[C@H]([NH2+]CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000611492711 1075946393 /nfs/dbraw/zinc/94/63/93/1075946393.db2.gz KPFSZNWTXWPJEV-GXFFZTMASA-N 1 0 407.414 1.369 20 0 HDADRO CCOC(=O)c1c2c(sc1NC(=O)C(=O)N1CC[C@H]3CC[N@H+](C)C[C@@H]31)CCC2 ZINC000611521810 1075951811 /nfs/dbraw/zinc/95/18/11/1075951811.db2.gz UQDQUIFLDCPVOB-OCCSQVGLSA-N 1 0 405.520 1.905 20 0 HDADRO CCOC(=O)COc1cccc(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000611546220 1075959808 /nfs/dbraw/zinc/95/98/08/1075959808.db2.gz MYGPLDIWMKASMT-UHFFFAOYSA-N 1 0 409.402 1.786 20 0 HDADRO COC(=O)c1ccc(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1C(=O)OC ZINC000611546158 1075960222 /nfs/dbraw/zinc/96/02/22/1075960222.db2.gz FWGXHJHWCUZBRG-UHFFFAOYSA-N 1 0 423.385 1.418 20 0 HDADRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1N1C(=O)CCC1=O ZINC000733045813 1075964415 /nfs/dbraw/zinc/96/44/15/1075964415.db2.gz AQWZFUFAZQTUOG-HNNXBMFYSA-N 1 0 400.479 1.578 20 0 HDADRO O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCn2cncn2)C1 ZINC001079304210 1075969107 /nfs/dbraw/zinc/96/91/07/1075969107.db2.gz YOLCKXRZRXQXSK-VJWNIMFCSA-N 1 0 411.481 1.425 20 0 HDADRO NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000105152497 1075969427 /nfs/dbraw/zinc/96/94/27/1075969427.db2.gz XYQGSTDESCTWPI-GOSISDBHSA-N 1 0 409.533 1.449 20 0 HDADRO CNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)ccc1OC ZINC000105614176 1075975911 /nfs/dbraw/zinc/97/59/11/1075975911.db2.gz JKGHSEKWMRLGBB-KRWDZBQOSA-N 1 0 421.519 1.645 20 0 HDADRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1COCCN1CC(F)(F)F ZINC000506509423 1075976315 /nfs/dbraw/zinc/97/63/15/1075976315.db2.gz DPMLNKGVTPMRKG-PKOBYXMFSA-N 1 0 415.456 1.345 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(N3CCOC3=O)c2)CC1=O ZINC000733131635 1075980179 /nfs/dbraw/zinc/98/01/79/1075980179.db2.gz FGBZVCDJISFWLO-MAUKXSAKSA-N 1 0 400.479 1.915 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1=O ZINC000733146133 1075982694 /nfs/dbraw/zinc/98/26/94/1075982694.db2.gz FHYJZCIMTNVCNI-SJLPKXTDSA-N 1 0 418.513 1.934 20 0 HDADRO Cc1c(-c2cc(C[N@H+]3C[C@@H](C)[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C3)on2)cnn1C ZINC001080159646 1075983603 /nfs/dbraw/zinc/98/36/03/1075983603.db2.gz NYEFHWJXEPTRTE-QEFWUOTMSA-N 1 0 411.506 1.743 20 0 HDADRO CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001545676748 1075985913 /nfs/dbraw/zinc/98/59/13/1075985913.db2.gz JCFPYRHWZWNFHO-HOTGVXAUSA-N 1 0 406.531 1.130 20 0 HDADRO CC[C@@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001545676749 1075986073 /nfs/dbraw/zinc/98/60/73/1075986073.db2.gz JCFPYRHWZWNFHO-HZPDHXFCSA-N 1 0 406.531 1.130 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(C3N=NC(=S)N3C)CC2)CC1=O ZINC000733151198 1075987369 /nfs/dbraw/zinc/98/73/69/1075987369.db2.gz BFCFMUKAVHUOJC-CVEARBPZSA-N 1 0 420.583 1.143 20 0 HDADRO CC(C)n1ncc2cc(C=CC(=O)N3CCC(OCC[NH+](C)C)CC3)c(=O)[nH]c21 ZINC000733154447 1075988480 /nfs/dbraw/zinc/98/84/80/1075988480.db2.gz PITICVDIJDPOLO-WAYWQWQTSA-N 1 0 401.511 1.888 20 0 HDADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000733154474 1075988545 /nfs/dbraw/zinc/98/85/45/1075988545.db2.gz HZAAVODXJDGPMW-KRWDZBQOSA-N 1 0 414.554 1.048 20 0 HDADRO Cc1cc(=O)oc2cc(OCC(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)ccc12 ZINC000733155297 1075988792 /nfs/dbraw/zinc/98/87/92/1075988792.db2.gz AKQBVIBYIPJELB-LJQANCHMSA-N 1 0 401.507 1.868 20 0 HDADRO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000733158040 1075990810 /nfs/dbraw/zinc/99/08/10/1075990810.db2.gz IVPRXSPWLKAXAS-FQEVSTJZSA-N 1 0 402.495 1.977 20 0 HDADRO CC[NH+](CC)CC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC001080639822 1075991086 /nfs/dbraw/zinc/99/10/86/1075991086.db2.gz GGQOLACZPKJUIU-IYWGDAJJSA-N 1 0 403.567 1.983 20 0 HDADRO CC(C)[N@H+](C)CC(=O)N1CCC2(CC1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC001080640424 1075991163 /nfs/dbraw/zinc/99/11/63/1075991163.db2.gz LPVRQTQAINDZNB-IYWGDAJJSA-N 1 0 403.567 1.981 20 0 HDADRO O=C(CCNS(=O)(=O)c1ccc(F)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733159683 1075992953 /nfs/dbraw/zinc/99/29/53/1075992953.db2.gz HSLPKRYAPBQIFO-QGZVFWFLSA-N 1 0 413.515 1.254 20 0 HDADRO O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733159626 1075993205 /nfs/dbraw/zinc/99/32/05/1075993205.db2.gz VFTYLFDPYWJGGT-GOSISDBHSA-N 1 0 424.501 1.383 20 0 HDADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000733160716 1075993616 /nfs/dbraw/zinc/99/36/16/1075993616.db2.gz JZUCGWUHLHYDCQ-UHFFFAOYSA-N 1 0 402.539 1.976 20 0 HDADRO CC[NH+]1CCN([C@H](C)CNC(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1 ZINC000733161972 1075994602 /nfs/dbraw/zinc/99/46/02/1075994602.db2.gz OEMKZWLXIANQTJ-JPVKTXQWSA-N 1 0 401.490 1.261 20 0 HDADRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 ZINC000733167162 1075999104 /nfs/dbraw/zinc/99/91/04/1075999104.db2.gz UCIBTVVPEZKELA-MRXNPFEDSA-N 1 0 404.540 1.862 20 0 HDADRO COCCN1C(=O)c2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)cc2S1(=O)=O ZINC000733168966 1075999346 /nfs/dbraw/zinc/99/93/46/1075999346.db2.gz MOSQNSPHPPWSCQ-UHFFFAOYSA-N 1 0 423.535 1.281 20 0 HDADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000733168571 1075999416 /nfs/dbraw/zinc/99/94/16/1075999416.db2.gz MNZDNHWJOVGABR-UHFFFAOYSA-N 1 0 415.943 1.274 20 0 HDADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2cnn(CC(F)(F)F)c2)c1 ZINC000512616983 1076003259 /nfs/dbraw/zinc/00/32/59/1076003259.db2.gz JYDDRRZGMIAGIF-UHFFFAOYSA-N 1 0 405.446 1.897 20 0 HDADRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513261355 1076004868 /nfs/dbraw/zinc/00/48/68/1076004868.db2.gz MZDXGVQHDMUHMS-FPOVZHCZSA-N 1 0 414.550 1.073 20 0 HDADRO Cc1cc(Cn2nnc(C(=O)NC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)c2C)no1 ZINC000513689276 1076006611 /nfs/dbraw/zinc/00/66/11/1076006611.db2.gz BEXWWMMPAPZVPX-NRFANRHFSA-N 1 0 410.478 1.298 20 0 HDADRO C[C@@H]1CN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000733184816 1076012007 /nfs/dbraw/zinc/01/20/07/1076012007.db2.gz PHZWJLUFSFDWAJ-HUUCEWRRSA-N 1 0 409.531 1.290 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NCC[N@@H+]3CCC[C@H](C)C3)C2)no1 ZINC000513995585 1076014304 /nfs/dbraw/zinc/01/43/04/1076014304.db2.gz YNORKLFFTFVWME-DOTOQJQBSA-N 1 0 406.531 1.496 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)C2)no1 ZINC000514017291 1076015718 /nfs/dbraw/zinc/01/57/18/1076015718.db2.gz GFBGUSRIYNBGMF-FUHWJXTLSA-N 1 0 420.558 1.885 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)no1 ZINC000514019446 1076015972 /nfs/dbraw/zinc/01/59/72/1076015972.db2.gz DTFRRXNACDSEKL-NVXWUHKLSA-N 1 0 404.515 1.249 20 0 HDADRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](N(Cc3noc(CC)n3)C(C)=O)C2)C1 ZINC000514029847 1076016881 /nfs/dbraw/zinc/01/68/81/1076016881.db2.gz XDHVKRFYCHUEOR-DLBZAZTESA-N 1 0 406.531 1.496 20 0 HDADRO CO[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081974964 1076021145 /nfs/dbraw/zinc/02/11/45/1076021145.db2.gz KCHJWRXCXNSKQN-QXDIGNSFSA-N 1 0 402.482 1.679 20 0 HDADRO C[NH+](C)CC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000733253157 1076024119 /nfs/dbraw/zinc/02/41/19/1076024119.db2.gz JXNDLSNUQKLDQZ-UHFFFAOYSA-N 1 0 402.720 1.877 20 0 HDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000733273183 1076026698 /nfs/dbraw/zinc/02/66/98/1076026698.db2.gz ONSNAGGMBXQCMY-OAHLLOKOSA-N 1 0 405.520 1.988 20 0 HDADRO C[NH+]1CCN(c2cc(C(=O)NCC(=O)OCc3ccccc3Cl)ccn2)CC1 ZINC000733281223 1076030146 /nfs/dbraw/zinc/03/01/46/1076030146.db2.gz LTEOMKYOQFFMTC-UHFFFAOYSA-N 1 0 402.882 1.960 20 0 HDADRO COCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2F)CC1 ZINC000727039582 1076032129 /nfs/dbraw/zinc/03/21/29/1076032129.db2.gz KOLORSYOGSZFPL-UHFFFAOYSA-N 1 0 420.485 1.508 20 0 HDADRO CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)cc1 ZINC000727040138 1076032437 /nfs/dbraw/zinc/03/24/37/1076032437.db2.gz OQTDWUQDGPOTJH-UHFFFAOYSA-N 1 0 420.510 1.835 20 0 HDADRO CC(=O)c1cccc(NC(=O)[C@H](C)ONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)c1 ZINC000733306956 1076034586 /nfs/dbraw/zinc/03/45/86/1076034586.db2.gz NRCZCOBEWSTACM-ZDUSSCGKSA-N 1 0 413.478 1.712 20 0 HDADRO CCOc1ccccc1NC(=O)[C@@H](C)ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O ZINC000733308190 1076034820 /nfs/dbraw/zinc/03/48/20/1076034820.db2.gz ZAXWVPAQULJEIA-CYBMUJFWSA-N 1 0 415.494 1.908 20 0 HDADRO CC[C@@H](CO)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000727057620 1076034871 /nfs/dbraw/zinc/03/48/71/1076034871.db2.gz BMYSWAVMYLEDFU-KRWDZBQOSA-N 1 0 405.520 1.806 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc2)CC1 ZINC000733310532 1076036091 /nfs/dbraw/zinc/03/60/91/1076036091.db2.gz CBWPRKFUZNENKL-DLBZAZTESA-N 1 0 410.584 1.520 20 0 HDADRO C[NH+](C)CC(C)(C)CNC(=S)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000727080678 1076039865 /nfs/dbraw/zinc/03/98/65/1076039865.db2.gz DSWMXGIBOMEFFF-UHFFFAOYSA-N 1 0 412.625 1.845 20 0 HDADRO CC(C)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)C1 ZINC000733294778 1076040945 /nfs/dbraw/zinc/04/09/45/1076040945.db2.gz CCTWPBLJUAEGLJ-IRXDYDNUSA-N 1 0 410.559 1.801 20 0 HDADRO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000727085869 1076041057 /nfs/dbraw/zinc/04/10/57/1076041057.db2.gz RPBSKTPZEBMKQQ-HNNXBMFYSA-N 1 0 400.589 1.182 20 0 HDADRO CC[C@H](C)[N@H+](C)CCNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000727088298 1076041620 /nfs/dbraw/zinc/04/16/20/1076041620.db2.gz DYZOEXJQILMZEA-HNNXBMFYSA-N 1 0 414.597 1.724 20 0 HDADRO CO[C@@H](CNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C(F)(F)F ZINC000733347446 1076043456 /nfs/dbraw/zinc/04/34/56/1076043456.db2.gz YMPFOGVESYEROK-AWEZNQCLSA-N 1 0 404.437 1.255 20 0 HDADRO CS(=O)(=O)NCCNC(=S)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000727072288 1076045697 /nfs/dbraw/zinc/04/56/97/1076045697.db2.gz KUPLAQGLBCSTBL-UHFFFAOYSA-N 1 0 406.577 1.381 20 0 HDADRO CO[C@@H](CNC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C(F)(F)F ZINC000733357217 1076051175 /nfs/dbraw/zinc/05/11/75/1076051175.db2.gz QYLICFGWZZISMB-CVEARBPZSA-N 1 0 416.444 1.760 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)cc2)CC1=O ZINC000733359057 1076051471 /nfs/dbraw/zinc/05/14/71/1076051471.db2.gz XIRICDIMVDGBFC-XLIONFOSSA-N 1 0 414.550 1.919 20 0 HDADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](O)COc2cccc(F)c2)CC1=O ZINC000733358859 1076051511 /nfs/dbraw/zinc/05/15/11/1076051511.db2.gz NWPNWFPKNJYPOK-JQHSSLGASA-N 1 0 407.486 1.014 20 0 HDADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2F)cc1 ZINC000733368526 1076056545 /nfs/dbraw/zinc/05/65/45/1076056545.db2.gz MORLIXSVEVVEKG-UHFFFAOYSA-N 1 0 408.455 1.017 20 0 HDADRO O=C(CN1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1)NC1CC1 ZINC000053522695 1076057949 /nfs/dbraw/zinc/05/79/49/1076057949.db2.gz QHNNNOVTRMSWCD-UHFFFAOYSA-N 1 0 405.587 1.781 20 0 HDADRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000053560144 1076058796 /nfs/dbraw/zinc/05/87/96/1076058796.db2.gz PMVWBPBNYUWUFS-UHFFFAOYSA-N 1 0 408.568 1.805 20 0 HDADRO NC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000733403852 1076061447 /nfs/dbraw/zinc/06/14/47/1076061447.db2.gz PCWZVVDKXMCQFR-INIZCTEOSA-N 1 0 420.535 1.508 20 0 HDADRO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CC[C@H]([NH+]3CCCC3)C2)C1=O ZINC000727159609 1076071902 /nfs/dbraw/zinc/07/19/02/1076071902.db2.gz NSOGMMZPALDEQY-AVRDEDQJSA-N 1 0 413.522 1.131 20 0 HDADRO COCCOC(=O)c1sc2[nH]c(CN3CC[NH+](CC(C)C)CC3)nc(=O)c2c1C ZINC000727239223 1076087903 /nfs/dbraw/zinc/08/79/03/1076087903.db2.gz MJHCZLLPKUTJHZ-UHFFFAOYSA-N 1 0 422.551 1.870 20 0 HDADRO C[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000022057213 1076089579 /nfs/dbraw/zinc/08/95/79/1076089579.db2.gz KFJLWTUVMPMBLO-MRXNPFEDSA-N 1 0 423.535 1.023 20 0 HDADRO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)CN(C)C(=O)C3CC3)CC2)cc1 ZINC000733517591 1076093698 /nfs/dbraw/zinc/09/36/98/1076093698.db2.gz ROAHPTNQJLKGAR-UHFFFAOYSA-N 1 0 401.507 1.441 20 0 HDADRO CS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000733586704 1076116426 /nfs/dbraw/zinc/11/64/26/1076116426.db2.gz VLEBUOBZOODBNI-UHFFFAOYSA-N 1 0 420.487 1.752 20 0 HDADRO CC(C)(C)OC(=O)C1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000727437361 1076121345 /nfs/dbraw/zinc/12/13/45/1076121345.db2.gz LMPALDOKDBGKSY-UHFFFAOYSA-N 1 0 422.526 1.716 20 0 HDADRO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3cn(C)nc3C)CC2)cc1 ZINC000733607981 1076125474 /nfs/dbraw/zinc/12/54/74/1076125474.db2.gz LDONCKQQNXIIGY-UHFFFAOYSA-N 1 0 400.479 1.628 20 0 HDADRO CCC[NH+]1CCN(c2ccc(NC(=O)NCCN3C(=O)CNC3=O)cc2Cl)CC1 ZINC000733627310 1076131593 /nfs/dbraw/zinc/13/15/93/1076131593.db2.gz JQGXMKAWDRFWML-UHFFFAOYSA-N 1 0 422.917 1.545 20 0 HDADRO C[C@H]([NH2+]C1(CNC(=O)NCCN2CCO[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000733646536 1076139008 /nfs/dbraw/zinc/13/90/08/1076139008.db2.gz NKSCQWNKIOSCTB-OALUTQOASA-N 1 0 404.555 1.906 20 0 HDADRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000733668007 1076148692 /nfs/dbraw/zinc/14/86/92/1076148692.db2.gz AJXXNDVXUZKCKA-GOSISDBHSA-N 1 0 402.495 1.958 20 0 HDADRO CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](OC)C(F)(F)F)cc2)CC1 ZINC000733673998 1076156957 /nfs/dbraw/zinc/15/69/57/1076156957.db2.gz NZEVGLQCWCCRCN-HNNXBMFYSA-N 1 0 402.417 1.461 20 0 HDADRO COC(=O)Nc1cc(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1F ZINC000727610913 1076180902 /nfs/dbraw/zinc/18/09/02/1076180902.db2.gz LKBZUCFEBRZYBW-STQMWFEESA-N 1 0 410.446 1.558 20 0 HDADRO CCn1nc(C)c(CNC(=O)C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)c1C ZINC000727620735 1076187455 /nfs/dbraw/zinc/18/74/55/1076187455.db2.gz GKNIARBKWKGIIO-UHFFFAOYSA-N 1 0 412.538 1.917 20 0 HDADRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000727675503 1076206114 /nfs/dbraw/zinc/20/61/14/1076206114.db2.gz BGNOYOQCBBINAO-IBGZPJMESA-N 1 0 414.531 1.827 20 0 HDADRO COc1ccc(C2N=NC(=S)N2CC(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000733809286 1076211079 /nfs/dbraw/zinc/21/10/79/1076211079.db2.gz GHLRKTOGEVLDLV-UHFFFAOYSA-N 1 0 405.524 1.469 20 0 HDADRO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C3CC3)C3CCCC3)C2=O)c1 ZINC000733793778 1076215127 /nfs/dbraw/zinc/21/51/27/1076215127.db2.gz WZPNQLPRFDWFJZ-NRFANRHFSA-N 1 0 400.479 1.900 20 0 HDADRO CC(=O)c1ccc(N2CCN(C(=O)NCC3([NH+](C)C)CCOCC3)CC2)c(F)c1 ZINC000733850623 1076217719 /nfs/dbraw/zinc/21/77/19/1076217719.db2.gz KALQVZRYWXMFOC-UHFFFAOYSA-N 1 0 406.502 1.971 20 0 HDADRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727764679 1076219110 /nfs/dbraw/zinc/21/91/10/1076219110.db2.gz GYGIFVIWJLMRPJ-IBGZPJMESA-N 1 0 400.504 1.629 20 0 HDADRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753568 1076226100 /nfs/dbraw/zinc/22/61/00/1076226100.db2.gz WDJPDARSWSRWLW-MJGOQNOKSA-N 1 0 400.504 1.670 20 0 HDADRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727753097 1076226792 /nfs/dbraw/zinc/22/67/92/1076226792.db2.gz KCTDICJETIEMHC-IBGZPJMESA-N 1 0 400.504 1.629 20 0 HDADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000727754907 1076229210 /nfs/dbraw/zinc/22/92/10/1076229210.db2.gz JUUQZASHPPNFIM-FQEVSTJZSA-N 1 0 414.531 1.759 20 0 HDADRO CC(C)[NH+](CCN(C(=S)NC1CCOCC1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000727782641 1076234261 /nfs/dbraw/zinc/23/42/61/1076234261.db2.gz BFLZXFLJHWCVRV-QGZVFWFLSA-N 1 0 405.630 1.648 20 0 HDADRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000733882668 1076237630 /nfs/dbraw/zinc/23/76/30/1076237630.db2.gz SXDILDWDNGIXQY-INIZCTEOSA-N 1 0 410.559 1.740 20 0 HDADRO C[C@H](CNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C[NH+]1CCN(C)CC1 ZINC000733882693 1076238072 /nfs/dbraw/zinc/23/80/72/1076238072.db2.gz VCKCNZHEYBIHIZ-CYBMUJFWSA-N 1 0 407.458 1.593 20 0 HDADRO CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c(F)c1 ZINC000733886467 1076240329 /nfs/dbraw/zinc/24/03/29/1076240329.db2.gz DHVRWESFUZAQDN-QGZVFWFLSA-N 1 0 404.486 1.087 20 0 HDADRO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)C2)no1 ZINC000533127676 1076241621 /nfs/dbraw/zinc/24/16/21/1076241621.db2.gz QGZHJSCCPNIEJN-SJORKVTESA-N 1 0 406.531 1.495 20 0 HDADRO CC(C)Cn1nccc1NC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000533456626 1076243323 /nfs/dbraw/zinc/24/33/23/1076243323.db2.gz OGXDVNJUCFULCU-IAGOWNOFSA-N 1 0 405.543 1.825 20 0 HDADRO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000533830202 1076245067 /nfs/dbraw/zinc/24/50/67/1076245067.db2.gz ZBRLXFKUFHVGSX-FQEVSTJZSA-N 1 0 423.517 1.818 20 0 HDADRO CN1Cc2ccccc2[C@H](NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000534530685 1076247404 /nfs/dbraw/zinc/24/74/04/1076247404.db2.gz 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COc1cc(C(=O)N(C)C)ccc1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000429124746 1073696715 /nfs/dbraw/zinc/69/67/15/1073696715.db2.gz BNKHGNLVOORGQO-KRWDZBQOSA-N 1 0 419.526 1.461 20 0 HDADRO Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000673757831 1073696858 /nfs/dbraw/zinc/69/68/58/1073696858.db2.gz HERFFHITTCVVGB-HNNXBMFYSA-N 1 0 407.522 1.989 20 0 HDADRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509136588 1073702290 /nfs/dbraw/zinc/70/22/90/1073702290.db2.gz IONAJUDLWDDCND-ZDUSSCGKSA-N 1 0 420.938 1.931 20 0 HDADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000673774413 1073707070 /nfs/dbraw/zinc/70/70/70/1073707070.db2.gz BADQKBWITLGEKA-QZTJIDSGSA-N 1 0 417.554 1.507 20 0 HDADRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000673774149 1073707703 /nfs/dbraw/zinc/70/77/03/1073707703.db2.gz SEMYARJJPAXGLY-IBGZPJMESA-N 1 0 415.582 1.845 20 0 HDADRO CN(C(=O)c1ccc(NC(=O)NCC2(O)CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000429131071 1073714687 /nfs/dbraw/zinc/71/46/87/1073714687.db2.gz BBVDPRIQHVWNOU-UHFFFAOYSA-N 1 0 404.511 1.516 20 0 HDADRO O=C(N[C@H](CCCO)c1ccccc1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000509144273 1073723159 /nfs/dbraw/zinc/72/31/59/1073723159.db2.gz OHSDZJMYQHMUMU-OAQYLSRUSA-N 1 0 417.550 1.720 20 0 HDADRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC1 ZINC000509144236 1073723166 /nfs/dbraw/zinc/72/31/66/1073723166.db2.gz NZUYKLXBIAVSMH-SFTDATJTSA-N 1 0 416.566 1.245 20 0 HDADRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000673779142 1073735411 /nfs/dbraw/zinc/73/54/11/1073735411.db2.gz XLYAGEVHMCNUPK-YLJYHZDGSA-N 1 0 410.522 1.831 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000429134469 1073738459 /nfs/dbraw/zinc/73/84/59/1073738459.db2.gz KFKJTJCDBGOXSW-IAGOWNOFSA-N 1 0 411.572 1.123 20 0 HDADRO CNC(=O)Cc1ccc(NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000673789530 1073743711 /nfs/dbraw/zinc/74/37/11/1073743711.db2.gz YGGUSPKHSVVBMF-QGZVFWFLSA-N 1 0 410.518 1.940 20 0 HDADRO CN(CCN1CCOCC1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000509151739 1073756426 /nfs/dbraw/zinc/75/64/26/1073756426.db2.gz KAAWOSGPTYPQMR-YADHBBJMSA-N 1 0 411.550 1.426 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)NCc2cccc(OCCN3CCOCC3)c2)cn1 ZINC000673809548 1073761950 /nfs/dbraw/zinc/76/19/50/1073761950.db2.gz HRVHFQSJBHSGOR-UHFFFAOYSA-N 1 0 416.526 1.477 20 0 HDADRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 ZINC000501242978 1073766529 /nfs/dbraw/zinc/76/65/29/1073766529.db2.gz ZEDOTUVSNWWOQW-HNNXBMFYSA-N 1 0 403.527 1.173 20 0 HDADRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000509154493 1073775519 /nfs/dbraw/zinc/77/55/19/1073775519.db2.gz RKEUTCUEDAPBJM-RTBURBONSA-N 1 0 409.552 1.354 20 0 HDADRO CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1 ZINC000509159813 1073787312 /nfs/dbraw/zinc/78/73/12/1073787312.db2.gz BQSUQRKYLBLSPV-UHFFFAOYSA-N 1 0 424.548 1.757 20 0 HDADRO O=C(CCNS(=O)(=O)c1ccccc1F)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001168743677 1073790273 /nfs/dbraw/zinc/79/02/73/1073790273.db2.gz PXCHIMQHZVSFJU-KRWDZBQOSA-N 1 0 423.485 1.676 20 0 HDADRO Cn1cc(-c2ncccc2NC(=O)C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000466540860 1073796483 /nfs/dbraw/zinc/79/64/83/1073796483.db2.gz HNOFVQUIQPQVAU-SFHVURJKSA-N 1 0 406.490 1.710 20 0 HDADRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCOCC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000543490862 1073799769 /nfs/dbraw/zinc/79/97/69/1073799769.db2.gz GSGBGSVVMFOYRL-HNAYVOBHSA-N 1 0 406.502 1.123 20 0 HDADRO CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673841347 1073805226 /nfs/dbraw/zinc/80/52/26/1073805226.db2.gz XGZWXQHEWUVBPK-MRXNPFEDSA-N 1 0 407.584 1.767 20 0 HDADRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000673848311 1073813920 /nfs/dbraw/zinc/81/39/20/1073813920.db2.gz PVTWSPKQFIWJHV-HNNXBMFYSA-N 1 0 422.327 1.622 20 0 HDADRO CC(C)OCCS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673860274 1073828328 /nfs/dbraw/zinc/82/83/28/1073828328.db2.gz XFZUAHIPRITWTM-UHFFFAOYSA-N 1 0 422.511 1.172 20 0 HDADRO Cc1ccc(S(=O)(=O)NCCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000673861627 1073828937 /nfs/dbraw/zinc/82/89/37/1073828937.db2.gz YEOIWZWXWBKXGN-UHFFFAOYSA-N 1 0 400.464 1.676 20 0 HDADRO NC(=O)C1CCN(c2ncccc2CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673862782 1073829847 /nfs/dbraw/zinc/82/98/47/1073829847.db2.gz GPYISPCHQXODLR-UHFFFAOYSA-N 1 0 420.477 1.686 20 0 HDADRO C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000673869755 1073833925 /nfs/dbraw/zinc/83/39/25/1073833925.db2.gz ULMKWCUINMZLGG-CQSZACIVSA-N 1 0 408.528 1.578 20 0 HDADRO C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673870533 1073835214 /nfs/dbraw/zinc/83/52/14/1073835214.db2.gz AOCOCHSKDJSRSS-AWEZNQCLSA-N 1 0 408.528 1.578 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cn1 ZINC000673870175 1073835669 /nfs/dbraw/zinc/83/56/69/1073835669.db2.gz JTWODRUKXNOHGX-UHFFFAOYSA-N 1 0 402.474 1.964 20 0 HDADRO C[NH+](C)CCn1cc(NC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cn1 ZINC000673870132 1073835812 /nfs/dbraw/zinc/83/58/12/1073835812.db2.gz VMLJRNALXOXDEE-UHFFFAOYSA-N 1 0 405.547 1.043 20 0 HDADRO NC(=O)c1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1F ZINC000673875737 1073841691 /nfs/dbraw/zinc/84/16/91/1073841691.db2.gz DSGXYLGPXKXTGI-HNAYVOBHSA-N 1 0 400.454 1.929 20 0 HDADRO O=C(NCC1(CO)CC1)C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000673888509 1073848696 /nfs/dbraw/zinc/84/86/96/1073848696.db2.gz DRHOIVWPXGMVTI-UHFFFAOYSA-N 1 0 423.517 1.231 20 0 HDADRO Cc1cc(NC(=O)C[NH2+][C@@H](CC(N)=O)C2CCOCC2)n(-c2ccc(F)cc2)n1 ZINC000543497710 1073849213 /nfs/dbraw/zinc/84/92/13/1073849213.db2.gz OLCULCMMEQGCBJ-KRWDZBQOSA-N 1 0 403.458 1.519 20 0 HDADRO O=C(NCc1cc2c([nH]c1=O)CCC2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000673878777 1073849845 /nfs/dbraw/zinc/84/98/45/1073849845.db2.gz OTISUEMTWOIOBE-TZIWHRDSSA-N 1 0 410.518 1.958 20 0 HDADRO CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000673879577 1073850424 /nfs/dbraw/zinc/85/04/24/1073850424.db2.gz ABSMDRRDXZRHLB-QAPCUYQASA-N 1 0 406.531 1.103 20 0 HDADRO CC(C)(CO)[NH+]1CCN(CC(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000673895829 1073866727 /nfs/dbraw/zinc/86/67/27/1073866727.db2.gz PQHOVTGTWWYVTP-UHFFFAOYSA-N 1 0 403.445 1.632 20 0 HDADRO COc1cc(OC)cc(N2CC[C@H](N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2=O)c1 ZINC000673914916 1073886707 /nfs/dbraw/zinc/88/67/07/1073886707.db2.gz GXTXTSDMYXWIQE-UTKZUKDTSA-N 1 0 402.539 1.521 20 0 HDADRO CNC(=O)N[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000466556981 1073897174 /nfs/dbraw/zinc/89/71/74/1073897174.db2.gz SQFBZLNVJBSAAX-JTDSTZFVSA-N 1 0 403.527 1.509 20 0 HDADRO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000543506585 1073897891 /nfs/dbraw/zinc/89/78/91/1073897891.db2.gz YKYRMQHWWVSLKB-QGZVFWFLSA-N 1 0 412.538 1.416 20 0 HDADRO Cc1sc2ncn(CC(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)c(=O)c2c1C ZINC000014520166 1073900739 /nfs/dbraw/zinc/90/07/39/1073900739.db2.gz FCGMGCZSKXUYGK-UHFFFAOYSA-N 1 0 412.519 1.860 20 0 HDADRO C[C@H]([NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1cnn(C)c1 ZINC000543505270 1073900779 /nfs/dbraw/zinc/90/07/79/1073900779.db2.gz OBKQSSPVCBTDNT-INIZCTEOSA-N 1 0 419.551 1.562 20 0 HDADRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1=O ZINC000673930104 1073902983 /nfs/dbraw/zinc/90/29/83/1073902983.db2.gz FLLLWMXNXXHPAQ-PIGZYNQJSA-N 1 0 410.268 1.988 20 0 HDADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2nc3n(n2)CCCN3)CC1 ZINC000673926472 1073906771 /nfs/dbraw/zinc/90/67/71/1073906771.db2.gz WQJZGBTZULXEOV-CQSZACIVSA-N 1 0 401.490 1.123 20 0 HDADRO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000014528331 1073909625 /nfs/dbraw/zinc/90/96/25/1073909625.db2.gz YFVWSJKGJCOQCW-UHFFFAOYSA-N 1 0 421.563 1.383 20 0 HDADRO CC(C)([NH2+]CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1cccs1 ZINC000543506610 1073910105 /nfs/dbraw/zinc/91/01/05/1073910105.db2.gz ZIFSQVPAVLKJDP-LSDHHAIUSA-N 1 0 400.566 1.768 20 0 HDADRO C[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1OCCc2sccc21 ZINC000429167775 1073917320 /nfs/dbraw/zinc/91/73/20/1073917320.db2.gz MRDBLMKYLFWOEK-HNAYVOBHSA-N 1 0 401.536 1.869 20 0 HDADRO CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)[NH+]1CCCC1 ZINC001004912384 1073931553 /nfs/dbraw/zinc/93/15/53/1073931553.db2.gz GLPKXIYKCHKXLO-UDFCFZJOSA-N 1 0 405.539 1.160 20 0 HDADRO CC(C)NS(=O)(=O)NCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000429174481 1073942833 /nfs/dbraw/zinc/94/28/33/1073942833.db2.gz YRZQOMXVKKWQMT-IRXDYDNUSA-N 1 0 403.593 1.115 20 0 HDADRO COC[C@@H](NC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)c1ccc(F)cc1 ZINC000466567683 1073955151 /nfs/dbraw/zinc/95/51/51/1073955151.db2.gz STPWJIUILBJBHX-LEWJYISDSA-N 1 0 422.545 1.950 20 0 HDADRO CNC(=O)[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C(C)C ZINC000429177913 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Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675541681 1075198117 /nfs/dbraw/zinc/19/81/17/1075198117.db2.gz ZYINOHXIPMKZLY-RBUKOAKNSA-N 1 0 402.474 1.274 20 0 HDADRO O=C(NCCOc1ccc(C(F)(F)F)cn1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000675543267 1075198532 /nfs/dbraw/zinc/19/85/32/1075198532.db2.gz RVMGTERLHGPARV-HUUCEWRRSA-N 1 0 402.417 1.720 20 0 HDADRO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CC[NH+](CC3CCOCC3)CC2)no1 ZINC000609865518 1075204373 /nfs/dbraw/zinc/20/43/73/1075204373.db2.gz PQCQVSSRLDDUOJ-OAHLLOKOSA-N 1 0 410.540 1.614 20 0 HDADRO COCCn1ccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000444586809 1075205548 /nfs/dbraw/zinc/20/55/48/1075205548.db2.gz RKMHZWIANJGWTP-YQQQUEKLSA-N 1 0 411.506 1.780 20 0 HDADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675568670 1075208208 /nfs/dbraw/zinc/20/82/08/1075208208.db2.gz HERXDEAOFGMYDV-KRWDZBQOSA-N 1 0 401.511 1.760 20 0 HDADRO 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COCCNS(=O)(=O)c1ccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000546834804 1075602729 /nfs/dbraw/zinc/60/27/29/1075602729.db2.gz BLUSPCCBQOWPFS-UHFFFAOYSA-N 1 0 412.556 1.855 20 0 HDADRO CNC(=O)c1cncc(/C=C\C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000732073805 1075605040 /nfs/dbraw/zinc/60/50/40/1075605040.db2.gz MOUXHTDVGNZOGT-HJWRWDBZSA-N 1 0 421.545 1.731 20 0 HDADRO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000429452437 1075607202 /nfs/dbraw/zinc/60/72/02/1075607202.db2.gz NQFDALPMCCCYIR-AWEZNQCLSA-N 1 0 404.964 1.499 20 0 HDADRO COCC[C@H]1NC(=O)N(Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C1=O ZINC000804174426 1075607405 /nfs/dbraw/zinc/60/74/05/1075607405.db2.gz UNDAYFPNTNVIAO-OAHLLOKOSA-N 1 0 414.428 1.914 20 0 HDADRO C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C[C@@H]1C ZINC000543680504 1075609793 /nfs/dbraw/zinc/60/97/93/1075609793.db2.gz QIXPXDKKBHZQOA-VYMRPNJYSA-N 1 0 412.600 1.217 20 0 HDADRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC000804178408 1075612493 /nfs/dbraw/zinc/61/24/93/1075612493.db2.gz PEKNOLBABLHNFA-SFHVURJKSA-N 1 0 424.586 1.940 20 0 HDADRO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C2CCN(c3cccnn3)CC2)CC1 ZINC000429450452 1075612562 /nfs/dbraw/zinc/61/25/62/1075612562.db2.gz LIOOOCBYCOQWII-UHFFFAOYSA-N 1 0 419.555 1.228 20 0 HDADRO CN(CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)OC(C)(C)C ZINC000804182823 1075614371 /nfs/dbraw/zinc/61/43/71/1075614371.db2.gz IKVOOCVLCUQFDC-GOSISDBHSA-N 1 0 418.538 1.750 20 0 HDADRO C[NH+](C)[C@@H](CNC(=O)N1CCN(c2nc(N)ns2)CC1)c1ccc(Cl)cc1 ZINC000532650945 1075615247 /nfs/dbraw/zinc/61/52/47/1075615247.db2.gz HXEFWWVLKNQIHW-AWEZNQCLSA-N 1 0 409.947 1.908 20 0 HDADRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000676618041 1075617812 /nfs/dbraw/zinc/61/78/12/1075617812.db2.gz NMSSYCJBLLWLRR-HNNXBMFYSA-N 1 0 409.437 1.723 20 0 HDADRO COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1OC ZINC000572620115 1075618964 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409.556 1.332 20 0 HDADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CCN2CCCS2(=O)=O)CC1 ZINC000676649536 1075633078 /nfs/dbraw/zinc/63/30/78/1075633078.db2.gz SNPZYMKGPHXVBS-MRXNPFEDSA-N 1 0 409.556 1.284 20 0 HDADRO O=C(Cc1cccc(OC(F)(F)F)c1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000676640321 1075635853 /nfs/dbraw/zinc/63/58/53/1075635853.db2.gz CFSCYKWDTNWIKP-MRXNPFEDSA-N 1 0 401.429 1.650 20 0 HDADRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O ZINC000732138480 1075646772 /nfs/dbraw/zinc/64/67/72/1075646772.db2.gz DCRRIJQEURCXGH-HNNXBMFYSA-N 1 0 409.508 1.082 20 0 HDADRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000732139903 1075647166 /nfs/dbraw/zinc/64/71/66/1075647166.db2.gz VKOCUBUFEBSAPX-QGZVFWFLSA-N 1 0 418.563 1.838 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000732147749 1075649094 /nfs/dbraw/zinc/64/90/94/1075649094.db2.gz SYPMLCUBBKZKCF-KRWDZBQOSA-N 1 0 422.529 1.887 20 0 HDADRO CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000071887705 1075649282 /nfs/dbraw/zinc/64/92/82/1075649282.db2.gz YOFSWPCNGJVYCS-UHFFFAOYSA-N 1 0 418.505 1.957 20 0 HDADRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC000732150152 1075650668 /nfs/dbraw/zinc/65/06/68/1075650668.db2.gz YVKXZCGAXXALLG-HKUYNNGSSA-N 1 0 415.538 1.325 20 0 HDADRO COc1cccc([C@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)[NH+]2CCCC2)c1 ZINC000027343127 1075651970 /nfs/dbraw/zinc/65/19/70/1075651970.db2.gz CLFFNIUHWZJIJT-IBGZPJMESA-N 1 0 409.552 1.620 20 0 HDADRO COc1cccc([C@@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)[NH+]2CCCC2)c1 ZINC000027343124 1075652095 /nfs/dbraw/zinc/65/20/95/1075652095.db2.gz CLFFNIUHWZJIJT-LJQANCHMSA-N 1 0 409.552 1.620 20 0 HDADRO C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000676702066 1075652188 /nfs/dbraw/zinc/65/21/88/1075652188.db2.gz PKWCJUQNEWZAIU-JTHBVZDNSA-N 1 0 413.610 1.604 20 0 HDADRO 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C[N@H+](CCNC(=O)C1CCN(C(=O)Nc2nncs2)CC1)Cc1ccccc1 ZINC000437696853 1075761163 /nfs/dbraw/zinc/76/11/63/1075761163.db2.gz LSGYFMUPSJLRHN-UHFFFAOYSA-N 1 0 402.524 2.030 20 0 HDADRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446729954 1075765397 /nfs/dbraw/zinc/76/53/97/1075765397.db2.gz XSXAUMCYSPFFQK-INIZCTEOSA-N 1 0 423.439 2.364 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC1 ZINC000804222976 1075774822 /nfs/dbraw/zinc/77/48/22/1075774822.db2.gz GANUJYVNFSHAAW-SJORKVTESA-N 1 0 408.543 1.587 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000804222624 1075775128 /nfs/dbraw/zinc/77/51/28/1075775128.db2.gz QVHRJJAQDVOXPY-NRFANRHFSA-N 1 0 410.559 1.740 20 0 HDADRO CC[N@H+](CCNC(=O)C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)C1CC1 ZINC000804223501 1075776043 /nfs/dbraw/zinc/77/60/43/1075776043.db2.gz NHHDVMRFPMBLEX-UHFFFAOYSA-N 1 0 404.486 1.277 20 0 HDADRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3Cc4ccc(O)cc4C4(CC4)C3)n2)CC1 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UEMYUQZXDHNENP-ZDUSSCGKSA-N 1 0 415.494 1.908 20 0 HDADRO COc1ccccc1CNC(=O)[C@H](C)ONC(N)=C1C(=[NH2+])C2(CCCC2)N(C)C1=O ZINC000733307345 1076034923 /nfs/dbraw/zinc/03/49/23/1076034923.db2.gz RCENVXWTWCMRDQ-ZDUSSCGKSA-N 1 0 415.494 1.196 20 0 HDADRO CC[NH+](CC)[C@H](CNC(=S)NCCNS(C)(=O)=O)c1ccccc1Cl ZINC000727066361 1076037038 /nfs/dbraw/zinc/03/70/38/1076037038.db2.gz KSDNMPQQDVIXSY-OAHLLOKOSA-N 1 0 407.005 1.736 20 0 HDADRO CC1CC[NH+]([C@H](CNC(=S)NCCNS(C)(=O)=O)c2cccs2)CC1 ZINC000727066178 1076037320 /nfs/dbraw/zinc/03/73/20/1076037320.db2.gz HXFOZFDAYDSNEP-CQSZACIVSA-N 1 0 404.627 1.534 20 0 HDADRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=S)NCCNS(C)(=O)=O)C1 ZINC000727076332 1076038917 /nfs/dbraw/zinc/03/89/17/1076038917.db2.gz DMOBVXXLBHKPCY-HOTGVXAUSA-N 1 0 412.625 1.678 20 0 HDADRO COc1ccc(C(=O)N2CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)c(OC)c1 ZINC000727077931 1076039177 /nfs/dbraw/zinc/03/91/77/1076039177.db2.gz KOFSSQATTPQJOU-UHFFFAOYSA-N 1 0 422.595 1.924 20 0 HDADRO 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