smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164667646 719493093 /nfs/dbraw/zinc/49/30/93/719493093.db2.gz LTLGORYFRJXFMK-UHFFFAOYSA-N 1 2 413.493 3.269 20 0 HGADLO CCOC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164667646 719493094 /nfs/dbraw/zinc/49/30/94/719493094.db2.gz LTLGORYFRJXFMK-UHFFFAOYSA-N 1 2 413.493 3.269 20 0 HGADLO Cc1nc2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2n1C ZINC001164671155 719508134 /nfs/dbraw/zinc/50/81/34/719508134.db2.gz BULXFKWGYQUYMO-UHFFFAOYSA-N 1 2 409.509 3.287 20 0 HGADLO Cc1nc2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2n1C ZINC001164671155 719508137 /nfs/dbraw/zinc/50/81/37/719508137.db2.gz BULXFKWGYQUYMO-UHFFFAOYSA-N 1 2 409.509 3.287 20 0 HGADLO Cc1noc(-c2ccnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2)n1 ZINC001164670281 719523686 /nfs/dbraw/zinc/52/36/86/719523686.db2.gz CQIJHJDBZLFXLI-UHFFFAOYSA-N 1 2 423.492 3.451 20 0 HGADLO Cc1noc(-c2ccnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2)n1 ZINC001164670281 719523698 /nfs/dbraw/zinc/52/36/98/719523698.db2.gz CQIJHJDBZLFXLI-UHFFFAOYSA-N 1 2 423.492 3.451 20 0 HGADLO FC(F)(c1nc(Cl)cc(Cl)n1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676828 719563270 /nfs/dbraw/zinc/56/32/70/719563270.db2.gz GMOPQGFWDCMOBP-UHFFFAOYSA-N 1 2 401.204 3.124 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)c2ccc(Cl)cc2n1 ZINC001164701525 719860724 /nfs/dbraw/zinc/86/07/24/719860724.db2.gz LBGHDNVKUGGYGN-HTAPYJJXSA-N 1 2 417.937 3.429 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(Cl)c(C)c2n1 ZINC001164699857 719863979 /nfs/dbraw/zinc/86/39/79/719863979.db2.gz CFBOULKSNNYDDX-VGSWGCGISA-N 1 2 417.937 3.429 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(Cl)c(C)c2n1 ZINC001164699852 719864083 /nfs/dbraw/zinc/86/40/83/719864083.db2.gz CFBOULKSNNYDDX-JTSKRJEESA-N 1 2 417.937 3.429 20 0 HGADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164704427 719876751 /nfs/dbraw/zinc/87/67/51/719876751.db2.gz LXPJOMPVGMGKQB-CMPZQBNXSA-N 1 2 424.973 3.185 20 0 HGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(C)cc4Cl)CC3)C2=O)cs1 ZINC001164823188 720361177 /nfs/dbraw/zinc/36/11/77/720361177.db2.gz BLWAVBJRQOCRBS-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(C)cc4Cl)CC3)C2=O)cs1 ZINC001164823188 720361181 /nfs/dbraw/zinc/36/11/81/720361181.db2.gz BLWAVBJRQOCRBS-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO Cc1nc(CN2CCN(C)C3(CCN(c4ccc(C(C)C)c[nH+]4)CC3)C2=O)cs1 ZINC001164820740 720371347 /nfs/dbraw/zinc/37/13/47/720371347.db2.gz SIVWIYVERMFONR-UHFFFAOYSA-N 1 2 413.591 3.283 20 0 HGADLO COC[C@]12CCCO[C@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164846531 720824694 /nfs/dbraw/zinc/82/46/94/720824694.db2.gz FLDGCOBQVLYQAC-LADGPHEKSA-N 1 2 408.546 3.057 20 0 HGADLO COC[C@]12CCCO[C@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164846531 720824695 /nfs/dbraw/zinc/82/46/95/720824695.db2.gz FLDGCOBQVLYQAC-LADGPHEKSA-N 1 2 408.546 3.057 20 0 HGADLO FC(F)(Oc1cccnc1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164875949 721218207 /nfs/dbraw/zinc/21/82/07/721218207.db2.gz YJFDWWPXSNCSFI-UHFFFAOYSA-N 1 2 410.852 3.431 20 0 HGADLO COc1ccc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c(Cl)n1 ZINC001164782336 721408887 /nfs/dbraw/zinc/40/88/87/721408887.db2.gz FRWTTYXKFMNHON-VXGBXAGGSA-N 1 2 400.882 3.313 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3cccc(F)c31)C2 ZINC001165011857 721700530 /nfs/dbraw/zinc/70/05/30/721700530.db2.gz ZSOUJYGDWPOPRK-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3cccc(F)c31)C2 ZINC001165011857 721700538 /nfs/dbraw/zinc/70/05/38/721700538.db2.gz ZSOUJYGDWPOPRK-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO Cc1cc2c(nc(Cl)nc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)s1 ZINC001165010758 721700553 /nfs/dbraw/zinc/70/05/53/721700553.db2.gz LYLQGTJVABJMFH-UHFFFAOYSA-N 1 2 405.959 3.495 20 0 HGADLO Cc1cc2c(nc(Cl)nc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)s1 ZINC001165010758 721700557 /nfs/dbraw/zinc/70/05/57/721700557.db2.gz LYLQGTJVABJMFH-UHFFFAOYSA-N 1 2 405.959 3.495 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc(-c3c[nH]c4ccccc34)n1)C2 ZINC001165010734 721701891 /nfs/dbraw/zinc/70/18/91/721701891.db2.gz LIGVWNDDZDKWPG-UHFFFAOYSA-N 1 2 416.533 3.467 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc(-c3c[nH]c4ccccc34)n1)C2 ZINC001165010734 721701894 /nfs/dbraw/zinc/70/18/94/721701894.db2.gz LIGVWNDDZDKWPG-UHFFFAOYSA-N 1 2 416.533 3.467 20 0 HGADLO COc1cccc2nc(Cl)nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c21 ZINC001165010389 721705908 /nfs/dbraw/zinc/70/59/08/721705908.db2.gz HVYUHKICHSBDAX-UHFFFAOYSA-N 1 2 415.929 3.134 20 0 HGADLO COc1cccc2nc(Cl)nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c21 ZINC001165010389 721705914 /nfs/dbraw/zinc/70/59/14/721705914.db2.gz HVYUHKICHSBDAX-UHFFFAOYSA-N 1 2 415.929 3.134 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc(Oc3cccc(F)c3)n1)C2 ZINC001165009142 721711224 /nfs/dbraw/zinc/71/12/24/721711224.db2.gz QDODVTDUXXFUTE-UHFFFAOYSA-N 1 2 411.485 3.250 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc(Oc3cccc(F)c3)n1)C2 ZINC001165009142 721711229 /nfs/dbraw/zinc/71/12/29/721711229.db2.gz QDODVTDUXXFUTE-UHFFFAOYSA-N 1 2 411.485 3.250 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3[nH]c4cc(F)ccc4c31)C2 ZINC001165011981 721722017 /nfs/dbraw/zinc/72/20/17/721722017.db2.gz WZIYFBAJLIGTHA-UHFFFAOYSA-N 1 2 408.485 3.092 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3[nH]c4cc(F)ccc4c31)C2 ZINC001165011981 721722022 /nfs/dbraw/zinc/72/20/22/721722022.db2.gz WZIYFBAJLIGTHA-UHFFFAOYSA-N 1 2 408.485 3.092 20 0 HGADLO CCOc1ccc(-c2ccc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nn2)cc1 ZINC001164919707 721820299 /nfs/dbraw/zinc/82/02/99/721820299.db2.gz UHERWMNXZXSDMQ-UHFFFAOYSA-N 1 2 418.545 3.488 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccccn3)nc(C)c2C)CC1 ZINC001164919908 721820344 /nfs/dbraw/zinc/82/03/44/721820344.db2.gz XQVAKZFSZQTHSR-UHFFFAOYSA-N 1 2 403.534 3.101 20 0 HGADLO Cc1cccc2c(C)cc(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)[nH+]c12 ZINC001164931093 721903080 /nfs/dbraw/zinc/90/30/80/721903080.db2.gz TTZVEONURARWLV-UHFFFAOYSA-N 1 2 405.546 3.457 20 0 HGADLO Fc1ccc2nc(C(F)(F)N3CC[NH+](C[C@@H]4CCCO4)CC3)nc(Cl)c2c1 ZINC001165038472 721908231 /nfs/dbraw/zinc/90/82/31/721908231.db2.gz LODCPXIKHPJKOP-ZDUSSCGKSA-N 1 2 400.832 3.268 20 0 HGADLO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056125 722019402 /nfs/dbraw/zinc/01/94/02/722019402.db2.gz WPCTXHZLTQVADQ-UHFFFAOYSA-N 1 2 420.851 3.090 20 0 HGADLO CC(=O)N(c1nc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cs1)C1CC1 ZINC000604766237 1126100008 /nfs/dbraw/zinc/10/00/08/1126100008.db2.gz SSUISIOATYJQOX-IRXDYDNUSA-N 1 2 413.465 3.283 20 0 HGADLO O=C1Nc2ccccc2[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]12 ZINC001164401285 718855953 /nfs/dbraw/zinc/85/59/53/718855953.db2.gz AIYYCHAAAAIQQY-WOJBJXKFSA-N 1 2 411.509 3.207 20 0 HGADLO O=C1Nc2ccccc2[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]12 ZINC001164401285 718855954 /nfs/dbraw/zinc/85/59/54/718855954.db2.gz AIYYCHAAAAIQQY-WOJBJXKFSA-N 1 2 411.509 3.207 20 0 HGADLO O=C(c1cccnc1N1CC[C@H]2CCCO[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164422447 718899621 /nfs/dbraw/zinc/89/96/21/718899621.db2.gz VEUNXRDOLMDLLH-FYYLOGMGSA-N 1 2 420.557 3.045 20 0 HGADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001164657617 719336188 /nfs/dbraw/zinc/33/61/88/719336188.db2.gz UWMSHPFAKNBBCQ-UHFFFAOYSA-N 1 2 418.563 3.059 20 0 HGADLO COc1cnc(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164665620 719494232 /nfs/dbraw/zinc/49/42/32/719494232.db2.gz ARDWVJHTXJZCMX-UHFFFAOYSA-N 1 2 406.889 3.149 20 0 HGADLO COc1cnc(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164665620 719494233 /nfs/dbraw/zinc/49/42/33/719494233.db2.gz ARDWVJHTXJZCMX-UHFFFAOYSA-N 1 2 406.889 3.149 20 0 HGADLO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676799 719565804 /nfs/dbraw/zinc/56/58/04/719565804.db2.gz PMXFPQWGOVAHKT-UHFFFAOYSA-N 1 2 406.824 3.348 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2cc1Cl ZINC001164699347 719849770 /nfs/dbraw/zinc/84/97/70/719849770.db2.gz HNWIPNKBHWVKPA-HRAATJIYSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)c2ccc(Cl)cc2n1 ZINC001164701529 719860518 /nfs/dbraw/zinc/86/05/18/719860518.db2.gz LBGHDNVKUGGYGN-JTSKRJEESA-N 1 2 417.937 3.429 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(Cl)cc2n1 ZINC001164697746 719860769 /nfs/dbraw/zinc/86/07/69/719860769.db2.gz AADACFQOKPXNKN-UWJYYQICSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(Cl)ccc(F)c2n1 ZINC001164708555 719877379 /nfs/dbraw/zinc/87/73/79/719877379.db2.gz ZVPMXXSBGMRLIT-SZNDQCEHSA-N 1 2 421.900 3.260 20 0 HGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)cc(C)n4)CC3)C2=O)cs1 ZINC001164825615 720360278 /nfs/dbraw/zinc/36/02/78/720360278.db2.gz RVDPAEINYNIDAW-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)cc(C)n4)CC3)C2=O)cs1 ZINC001164825615 720360284 /nfs/dbraw/zinc/36/02/84/720360284.db2.gz RVDPAEINYNIDAW-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)c(Cl)cn4)CC3)C2=O)cs1 ZINC001164823130 720364454 /nfs/dbraw/zinc/36/44/54/720364454.db2.gz AYKRMNGFAPYLGK-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)c(Cl)cn4)CC3)C2=O)cs1 ZINC001164823130 720364461 /nfs/dbraw/zinc/36/44/61/720364461.db2.gz AYKRMNGFAPYLGK-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO FC(F)(c1cc(Cl)nc(Cl)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164826940 720396460 /nfs/dbraw/zinc/39/64/60/720396460.db2.gz FJECTHDOQZVCDX-UHFFFAOYSA-N 1 2 414.247 3.180 20 0 HGADLO FC(F)(COc1ccnc(Cl)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870768 721218629 /nfs/dbraw/zinc/21/86/29/721218629.db2.gz HYLYVUXBIOZYIU-UHFFFAOYSA-N 1 2 424.879 3.473 20 0 HGADLO COc1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164784220 721415109 /nfs/dbraw/zinc/41/51/09/721415109.db2.gz KVIWFLLTFWUAAR-TXEJJXNPSA-N 1 2 400.882 3.313 20 0 HGADLO COc1ccc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164784220 721415110 /nfs/dbraw/zinc/41/51/10/721415110.db2.gz KVIWFLLTFWUAAR-TXEJJXNPSA-N 1 2 400.882 3.313 20 0 HGADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164782750 721428094 /nfs/dbraw/zinc/42/80/94/721428094.db2.gz HRORBYMWOARIMB-VXGBXAGGSA-N 1 2 411.909 3.188 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001165010390 721696920 /nfs/dbraw/zinc/69/69/20/721696920.db2.gz WBYSBEHXELDLIN-UHFFFAOYSA-N 1 2 402.852 3.261 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001165010390 721696926 /nfs/dbraw/zinc/69/69/26/721696926.db2.gz WBYSBEHXELDLIN-UHFFFAOYSA-N 1 2 402.852 3.261 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)COc1ccnc(Cl)c1)C2 ZINC001165010827 721702634 /nfs/dbraw/zinc/70/26/34/721702634.db2.gz NFSLZLUOKSWBJV-UHFFFAOYSA-N 1 2 414.888 3.044 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)COc1ccnc(Cl)c1)C2 ZINC001165010827 721702637 /nfs/dbraw/zinc/70/26/37/721702637.db2.gz NFSLZLUOKSWBJV-UHFFFAOYSA-N 1 2 414.888 3.044 20 0 HGADLO COc1cccc2c1nc(Cl)nc2N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010246 721703376 /nfs/dbraw/zinc/70/33/76/721703376.db2.gz GAPFGVOKWIVVSS-UHFFFAOYSA-N 1 2 415.929 3.134 20 0 HGADLO COc1cccc2c1nc(Cl)nc2N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010246 721703377 /nfs/dbraw/zinc/70/33/77/721703377.db2.gz GAPFGVOKWIVVSS-UHFFFAOYSA-N 1 2 415.929 3.134 20 0 HGADLO CCOC(=O)c1cc2ccccc2nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008983 721708828 /nfs/dbraw/zinc/70/88/28/721708828.db2.gz MJMHAFTYOGMYQR-UHFFFAOYSA-N 1 2 422.533 3.254 20 0 HGADLO CCOC(=O)c1cc2ccccc2nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008983 721708829 /nfs/dbraw/zinc/70/88/29/721708829.db2.gz MJMHAFTYOGMYQR-UHFFFAOYSA-N 1 2 422.533 3.254 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(F)cc3ncnc(Cl)c31)C2 ZINC001165008549 721711882 /nfs/dbraw/zinc/71/18/82/721711882.db2.gz GUEDAERTNHDUQM-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(F)cc3ncnc(Cl)c31)C2 ZINC001165008549 721711884 /nfs/dbraw/zinc/71/18/84/721711884.db2.gz GUEDAERTNHDUQM-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO CC(C)C(=O)N1CCC[C@]12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001165011818 721724747 /nfs/dbraw/zinc/72/47/47/721724747.db2.gz VUVFRSPDUMOFMR-RUZDIDTESA-N 1 2 419.573 3.262 20 0 HGADLO CC(C)C(=O)N1CCC[C@]12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001165011818 721724748 /nfs/dbraw/zinc/72/47/48/721724748.db2.gz VUVFRSPDUMOFMR-RUZDIDTESA-N 1 2 419.573 3.262 20 0 HGADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2ccccc12 ZINC001164915563 721781113 /nfs/dbraw/zinc/78/11/13/721781113.db2.gz LGRMPYUIIWKXHH-XMMPIXPASA-N 1 2 404.514 3.046 20 0 HGADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2ccccc12 ZINC001164915563 721781115 /nfs/dbraw/zinc/78/11/15/721781115.db2.gz LGRMPYUIIWKXHH-XMMPIXPASA-N 1 2 404.514 3.046 20 0 HGADLO COc1ccc(CN2C(=O)CO[C@H]3C[N@H+](C(C)(C)c4ccnc(Cl)c4)C[C@@H]32)cc1 ZINC001165023313 721797480 /nfs/dbraw/zinc/79/74/80/721797480.db2.gz JGDQHTUKGPVNHQ-OALUTQOASA-N 1 2 415.921 3.091 20 0 HGADLO COc1ccc(CN2C(=O)CO[C@H]3C[N@@H+](C(C)(C)c4ccnc(Cl)c4)C[C@@H]32)cc1 ZINC001165023313 721797485 /nfs/dbraw/zinc/79/74/85/721797485.db2.gz JGDQHTUKGPVNHQ-OALUTQOASA-N 1 2 415.921 3.091 20 0 HGADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165044844 721920175 /nfs/dbraw/zinc/92/01/75/721920175.db2.gz WMQHWZVZLUIPJT-AWEZNQCLSA-N 1 2 409.868 3.038 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc(Cl)cc1Cl)CC2 ZINC001164946289 721969508 /nfs/dbraw/zinc/96/95/08/721969508.db2.gz MYUQGSJOEGNBTO-UHFFFAOYSA-N 1 2 405.329 3.359 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc(Cl)cc1Cl)CC2 ZINC001164946289 721969510 /nfs/dbraw/zinc/96/95/10/721969510.db2.gz 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CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)cc(OC)n1)CC2 ZINC001164663479 719349830 /nfs/dbraw/zinc/34/98/30/719349830.db2.gz ICLLPEYYNJTQRR-UHFFFAOYSA-N 1 2 418.545 3.488 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)cc(OC)n1)CC2 ZINC001164663479 719349831 /nfs/dbraw/zinc/34/98/31/719349831.db2.gz ICLLPEYYNJTQRR-UHFFFAOYSA-N 1 2 418.545 3.488 20 0 HGADLO CSc1nc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673211 719500821 /nfs/dbraw/zinc/50/08/21/719500821.db2.gz PTRFFQONWPXBDG-UHFFFAOYSA-N 1 2 423.945 3.257 20 0 HGADLO CSc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673211 719500828 /nfs/dbraw/zinc/50/08/28/719500828.db2.gz PTRFFQONWPXBDG-UHFFFAOYSA-N 1 2 423.945 3.257 20 0 HGADLO Nc1cc(F)c(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671730 719516518 /nfs/dbraw/zinc/51/65/18/719516518.db2.gz JAYZIRTWVCJKSZ-UHFFFAOYSA-N 1 2 408.880 3.467 20 0 HGADLO Nc1cc(F)c(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671730 719516521 /nfs/dbraw/zinc/51/65/21/719516521.db2.gz JAYZIRTWVCJKSZ-UHFFFAOYSA-N 1 2 408.880 3.467 20 0 HGADLO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164678205 719564346 /nfs/dbraw/zinc/56/43/46/719564346.db2.gz VXJGBXFYPALEHG-UHFFFAOYSA-N 1 2 417.807 3.019 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cccc(Cl)c2n1 ZINC001164699987 719850061 /nfs/dbraw/zinc/85/00/61/719850061.db2.gz JHWOZDSNEQEVFL-IERDGZPVSA-N 1 2 403.910 3.121 20 0 HGADLO CC[C@@H]1N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CCC[C@@]12CCC(=O)N2 ZINC001164842995 720748714 /nfs/dbraw/zinc/74/87/14/720748714.db2.gz GYYNWVDDBOZPLP-XUZZJYLKSA-N 1 2 405.546 3.063 20 0 HGADLO CC[C@@H]1N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CCC[C@@]12CCC(=O)N2 ZINC001164842995 720748725 /nfs/dbraw/zinc/74/87/25/720748725.db2.gz GYYNWVDDBOZPLP-XUZZJYLKSA-N 1 2 405.546 3.063 20 0 HGADLO COC[C@@]12CCCO[C@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164846532 720824753 /nfs/dbraw/zinc/82/47/53/720824753.db2.gz FLDGCOBQVLYQAC-UPVQGACJSA-N 1 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ZINC001165011740 721702152 /nfs/dbraw/zinc/70/21/52/721702152.db2.gz XQYKKVHFSQJHIZ-UHFFFAOYSA-N 1 2 414.888 3.131 20 0 HGADLO COc1ccc(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(Cl)n1 ZINC001165011740 721702156 /nfs/dbraw/zinc/70/21/56/721702156.db2.gz XQYKKVHFSQJHIZ-UHFFFAOYSA-N 1 2 414.888 3.131 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc(-c3ccc(N(C)C)cc3)n1)C2 ZINC001165009428 721710484 /nfs/dbraw/zinc/71/04/84/721710484.db2.gz UKUOPPOIDLZRCW-UHFFFAOYSA-N 1 2 420.565 3.052 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc(-c3ccc(N(C)C)cc3)n1)C2 ZINC001165009428 721710489 /nfs/dbraw/zinc/71/04/89/721710489.db2.gz UKUOPPOIDLZRCW-UHFFFAOYSA-N 1 2 420.565 3.052 20 0 HGADLO Cc1cccc2c(C)cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164911483 721771275 /nfs/dbraw/zinc/77/12/75/721771275.db2.gz GZCQPSASKOYWHM-RUZDIDTESA-N 1 2 418.541 3.354 20 0 HGADLO Cc1cccc2c(C)cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164911483 721771277 /nfs/dbraw/zinc/77/12/77/721771277.db2.gz GZCQPSASKOYWHM-RUZDIDTESA-N 1 2 418.541 3.354 20 0 HGADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2ccccc12 ZINC001164915562 721780562 /nfs/dbraw/zinc/78/05/62/721780562.db2.gz LGRMPYUIIWKXHH-DEOSSOPVSA-N 1 2 404.514 3.046 20 0 HGADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2ccccc12 ZINC001164915562 721780566 /nfs/dbraw/zinc/78/05/66/721780566.db2.gz LGRMPYUIIWKXHH-DEOSSOPVSA-N 1 2 404.514 3.046 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc(-c3ccccc3)n2)CC1 ZINC001164916723 721814559 /nfs/dbraw/zinc/81/45/59/721814559.db2.gz GCKAAPOIJFNBRL-UHFFFAOYSA-N 1 2 409.925 3.138 20 0 HGADLO COc1cccc2c1nc(Cl)nc2N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164916782 721815206 /nfs/dbraw/zinc/81/52/06/721815206.db2.gz GNXQZIKKUMXGFW-UHFFFAOYSA-N 1 2 412.925 3.238 20 0 HGADLO CCOC(=O)c1cc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc2ccccc21 ZINC001164917922 721815266 /nfs/dbraw/zinc/81/52/66/721815266.db2.gz QIYMAVOVDUUEQX-UHFFFAOYSA-N 1 2 419.529 3.358 20 0 HGADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc5ccccc5c[nH+]4)CCO3)C2)cs1 ZINC001164924157 721824830 /nfs/dbraw/zinc/82/48/30/721824830.db2.gz MMJVIBQXRUWLNN-QFIPXVFZSA-N 1 2 410.543 3.108 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc3cccc(Cl)c3n1)CC2 ZINC001164944964 721971415 /nfs/dbraw/zinc/97/14/15/721971415.db2.gz LBJFKDSUZNJCRS-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc3cccc(Cl)c3n1)CC2 ZINC001164944964 721971418 /nfs/dbraw/zinc/97/14/18/721971418.db2.gz LBJFKDSUZNJCRS-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc3[nH]ccc3cc1Cl)CC2 ZINC001164946847 721975601 /nfs/dbraw/zinc/97/56/01/721975601.db2.gz LNDSMFGYOXBTRJ-UHFFFAOYSA-N 1 2 409.921 3.139 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc3[nH]ccc3cc1Cl)CC2 ZINC001164946847 721975603 /nfs/dbraw/zinc/97/56/03/721975603.db2.gz LNDSMFGYOXBTRJ-UHFFFAOYSA-N 1 2 409.921 3.139 20 0 HGADLO Cc1cc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc(C(C)(C)C)[nH+]1 ZINC001165005721 722268997 /nfs/dbraw/zinc/26/89/97/722268997.db2.gz JITVPXYVPJVHEP-QHCPKHFHSA-N 1 2 411.525 3.149 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)c2ccc(C)c(C)c2n1 ZINC001164699838 719870304 /nfs/dbraw/zinc/87/03/04/719870304.db2.gz BTOYHWYNFHQOOB-YADARESESA-N 1 2 411.546 3.393 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(C)(C)C)nc(C(C)C)n1 ZINC001164708072 719873022 /nfs/dbraw/zinc/87/30/22/719873022.db2.gz XMTAMRHMDIQILM-SBUREZEXSA-N 1 2 418.582 3.130 20 0 HGADLO FC(F)(c1ccc(Cl)c(Cl)n1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830999 720398348 /nfs/dbraw/zinc/39/83/48/720398348.db2.gz SXGXYTGMHNCCLP-UHFFFAOYSA-N 1 2 414.247 3.180 20 0 HGADLO CC[C@H]1N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CCC[C@@]12CCC(=O)N2 ZINC001164842998 720748683 /nfs/dbraw/zinc/74/86/83/720748683.db2.gz GYYNWVDDBOZPLP-ZJSXRUAMSA-N 1 2 405.546 3.063 20 0 HGADLO CC[C@H]1N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CCC[C@@]12CCC(=O)N2 ZINC001164842998 720748689 /nfs/dbraw/zinc/74/86/89/720748689.db2.gz GYYNWVDDBOZPLP-ZJSXRUAMSA-N 1 2 405.546 3.063 20 0 HGADLO FC(F)(Oc1ccc(Cl)nc1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164764674 721273550 /nfs/dbraw/zinc/27/35/50/721273550.db2.gz HUALWXJPJLHXGI-CQSZACIVSA-N 1 2 421.835 3.467 20 0 HGADLO Nc1cc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770658 721274445 /nfs/dbraw/zinc/27/44/45/721274445.db2.gz WFWQVACLKKBTPF-ZDUSSCGKSA-N 1 2 420.851 3.169 20 0 HGADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165011240 721695758 /nfs/dbraw/zinc/69/57/58/721695758.db2.gz ZXKBDSVDEONUDZ-UHFFFAOYSA-N 1 2 420.945 3.062 20 0 HGADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165011240 721695759 /nfs/dbraw/zinc/69/57/59/721695759.db2.gz ZXKBDSVDEONUDZ-UHFFFAOYSA-N 1 2 420.945 3.062 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1CCCCC3)C2 ZINC001165010256 721702128 /nfs/dbraw/zinc/70/21/28/721702128.db2.gz GFHNQQFBWUZVEH-UHFFFAOYSA-N 1 2 403.962 3.241 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1CCCCC3)C2 ZINC001165010256 721702129 /nfs/dbraw/zinc/70/21/29/721702129.db2.gz GFHNQQFBWUZVEH-UHFFFAOYSA-N 1 2 403.962 3.241 20 0 HGADLO Cc1cccc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164910843 721767714 /nfs/dbraw/zinc/76/77/14/721767714.db2.gz CMHGOJDHNZKNNZ-XMMPIXPASA-N 1 2 404.514 3.046 20 0 HGADLO Cc1cccc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164910843 721767718 /nfs/dbraw/zinc/76/77/18/721767718.db2.gz CMHGOJDHNZKNNZ-XMMPIXPASA-N 1 2 404.514 3.046 20 0 HGADLO Cc1c(Cl)cnc(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915589 721791524 /nfs/dbraw/zinc/79/15/24/721791524.db2.gz LPUIDRMVEZEJOC-HXUWFJFHSA-N 1 2 423.344 3.200 20 0 HGADLO Cc1c(Cl)cnc(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915589 721791527 /nfs/dbraw/zinc/79/15/27/721791527.db2.gz LPUIDRMVEZEJOC-HXUWFJFHSA-N 1 2 423.344 3.200 20 0 HGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc(Cl)nc2Cl)CC1 ZINC001164918265 721812649 /nfs/dbraw/zinc/81/26/49/721812649.db2.gz QEBFSOQCIRFADK-UHFFFAOYSA-N 1 2 417.291 3.274 20 0 HGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc(Cl)nc2Cl)CC1 ZINC001164918265 721812651 /nfs/dbraw/zinc/81/26/51/721812651.db2.gz QEBFSOQCIRFADK-UHFFFAOYSA-N 1 2 417.291 3.274 20 0 HGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)COc2cccc(Cl)n2)CC1 ZINC001164918714 721817097 /nfs/dbraw/zinc/81/70/97/721817097.db2.gz SASIENVTKJPOPG-UHFFFAOYSA-N 1 2 411.884 3.148 20 0 HGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)COc2cccc(Cl)n2)CC1 ZINC001164918714 721817099 /nfs/dbraw/zinc/81/70/99/721817099.db2.gz SASIENVTKJPOPG-UHFFFAOYSA-N 1 2 411.884 3.148 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(-c3nc(C(C)(C)C)no3)ccn2)CC1 ZINC001164918666 721818309 /nfs/dbraw/zinc/81/83/09/721818309.db2.gz QYDYBLLOSOCKPU-UHFFFAOYSA-N 1 2 421.549 3.375 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc3nc(Cl)cnc3cc2F)CC1 ZINC001164919284 721819929 /nfs/dbraw/zinc/81/99/29/721819929.db2.gz PHKDBRNWAIALAU-UHFFFAOYSA-N 1 2 400.889 3.368 20 0 HGADLO COc1ccccc1-c1ccnc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164917667 721819975 /nfs/dbraw/zinc/81/99/75/721819975.db2.gz GSCNEDWAWCWPDJ-UHFFFAOYSA-N 1 2 404.518 3.098 20 0 HGADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(C)c5ccccc5[nH+]4)CCO3)C2)cs1 ZINC001164925550 721827030 /nfs/dbraw/zinc/82/70/30/721827030.db2.gz RXMBWSDDSXWQCP-HSZRJFAPSA-N 1 2 424.570 3.416 20 0 HGADLO CCOc1ccc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947010 721975132 /nfs/dbraw/zinc/97/51/32/721975132.db2.gz NCKXGJQRSTXHPV-UHFFFAOYSA-N 1 2 414.937 3.105 20 0 HGADLO CCOc1ccc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947010 721975136 /nfs/dbraw/zinc/97/51/36/721975136.db2.gz NCKXGJQRSTXHPV-UHFFFAOYSA-N 1 2 414.937 3.105 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164946988 721977493 /nfs/dbraw/zinc/97/74/93/721977493.db2.gz MWMKYAIEWUWPRY-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc3nccc(Cl)c3n1)CC2 ZINC001164946988 721977500 /nfs/dbraw/zinc/97/75/00/721977500.db2.gz MWMKYAIEWUWPRY-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@H]21 ZINC001164952219 722002148 /nfs/dbraw/zinc/00/21/48/722002148.db2.gz QLQDALUJKJPIRJ-LXZKKBNFSA-N 1 2 406.939 3.088 20 0 HGADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@H]21 ZINC001164952219 722002151 /nfs/dbraw/zinc/00/21/51/722002151.db2.gz QLQDALUJKJPIRJ-LXZKKBNFSA-N 1 2 406.939 3.088 20 0 HGADLO Cc1nc(CN2CCO[C@H]3CCN(c4nc(NC(C)C)c(C)c[nH+]4)CC[C@@H]32)cs1 ZINC001164984825 722173414 /nfs/dbraw/zinc/17/34/14/722173414.db2.gz GCUMLUMFQNKLQJ-OALUTQOASA-N 1 2 416.595 3.240 20 0 HGADLO COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2-n2cc[nH+]c2C)cs1 ZINC000408518701 559213550 /nfs/dbraw/zinc/21/35/50/559213550.db2.gz VOWAOLBVKJAFTI-UHFFFAOYSA-N 1 2 411.892 3.483 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc(N)n1)CC2 ZINC001164662797 719345008 /nfs/dbraw/zinc/34/50/08/719345008.db2.gz SQRSTKQTABDJOB-UHFFFAOYSA-N 1 2 423.952 3.407 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc(N)n1)CC2 ZINC001164662797 719345012 /nfs/dbraw/zinc/34/50/12/719345012.db2.gz SQRSTKQTABDJOB-UHFFFAOYSA-N 1 2 423.952 3.407 20 0 HGADLO COC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1C ZINC001164672290 719503495 /nfs/dbraw/zinc/50/34/95/719503495.db2.gz IJXHOEZYWMGGDC-UHFFFAOYSA-N 1 2 413.493 3.187 20 0 HGADLO COC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1C ZINC001164672290 719503502 /nfs/dbraw/zinc/50/35/02/719503502.db2.gz IJXHOEZYWMGGDC-UHFFFAOYSA-N 1 2 413.493 3.187 20 0 HGADLO COCOc1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673385 719510736 /nfs/dbraw/zinc/51/07/36/719510736.db2.gz RBRODAJGAFTBDK-UHFFFAOYSA-N 1 2 401.482 3.075 20 0 HGADLO COCOc1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673385 719510741 /nfs/dbraw/zinc/51/07/41/719510741.db2.gz RBRODAJGAFTBDK-UHFFFAOYSA-N 1 2 401.482 3.075 20 0 HGADLO CCS(=O)(=O)c1ccnc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164700837 719816954 /nfs/dbraw/zinc/81/69/54/719816954.db2.gz MNYPDPKEUNYTIA-UHFFFAOYSA-N 1 2 420.604 3.275 20 0 HGADLO CCS(=O)(=O)c1ccnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164700837 719816955 /nfs/dbraw/zinc/81/69/55/719816955.db2.gz MNYPDPKEUNYTIA-UHFFFAOYSA-N 1 2 420.604 3.275 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)cc(Cl)nc1Cl ZINC001164701636 719846560 /nfs/dbraw/zinc/84/65/60/719846560.db2.gz MRXFJZMDRSAHSP-PIGZYNQJSA-N 1 2 422.740 3.275 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2cc1Cl ZINC001164699348 719850053 /nfs/dbraw/zinc/85/00/53/719850053.db2.gz HNWIPNKBHWVKPA-IERDGZPVSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(Cl)cccc2n1 ZINC001164706355 719852666 /nfs/dbraw/zinc/85/26/66/719852666.db2.gz WNMUHYJHTMZPOX-VFNWGFHPSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(Cl)cc2n1 ZINC001164697743 719860441 /nfs/dbraw/zinc/86/04/41/719860441.db2.gz AADACFQOKPXNKN-DYESRHJHSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(C)ccc(F)c2cc1C ZINC001164698732 719860523 /nfs/dbraw/zinc/86/05/23/719860523.db2.gz DGRRMKWIHFDKQL-SBUREZEXSA-N 1 2 415.509 3.223 20 0 HGADLO CC(C)C(=O)N1CC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]21 ZINC001164894786 721463261 /nfs/dbraw/zinc/46/32/61/721463261.db2.gz YPXDJPLWHCTRIV-OFNKIYASSA-N 1 2 419.573 3.118 20 0 HGADLO CC(C)C(=O)N1CC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]21 ZINC001164894786 721463263 /nfs/dbraw/zinc/46/32/63/721463263.db2.gz YPXDJPLWHCTRIV-OFNKIYASSA-N 1 2 419.573 3.118 20 0 HGADLO Cc1nc2sc3c(c2c(N2CCCn4c(C[N@@H+](C)C(C)C)nnc4C2)n1)CCC3 ZINC001165009836 721713159 /nfs/dbraw/zinc/71/31/59/721713159.db2.gz WFXWLDDLYFPWQH-UHFFFAOYSA-N 1 2 411.579 3.330 20 0 HGADLO Cc1nc2sc3c(c2c(N2CCCn4c(C[N@H+](C)C(C)C)nnc4C2)n1)CCC3 ZINC001165009836 721713163 /nfs/dbraw/zinc/71/31/63/721713163.db2.gz WFXWLDDLYFPWQH-UHFFFAOYSA-N 1 2 411.579 3.330 20 0 HGADLO Clc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164912916 721771611 /nfs/dbraw/zinc/77/16/11/721771611.db2.gz RRZRYLHRZVMAAU-QHCPKHFHSA-N 1 2 424.932 3.391 20 0 HGADLO Clc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164912916 721771619 /nfs/dbraw/zinc/77/16/19/721771619.db2.gz RRZRYLHRZVMAAU-QHCPKHFHSA-N 1 2 424.932 3.391 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3[nH]cc(Cl)c32)CC1 ZINC001164916283 721812139 /nfs/dbraw/zinc/81/21/39/721812139.db2.gz GIGHCXFLTGHWFI-UHFFFAOYSA-N 1 2 406.321 3.211 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cncc(OCc3ccccc3)n2)CC1 ZINC001164918401 721813843 /nfs/dbraw/zinc/81/38/43/721813843.db2.gz WGQNIZDILSXRKH-UHFFFAOYSA-N 1 2 404.518 3.002 20 0 HGADLO COc1cccc(-c2ccnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)n2)c1 ZINC001164918357 721817570 /nfs/dbraw/zinc/81/75/70/721817570.db2.gz PNMCJDHEXRRLKG-UHFFFAOYSA-N 1 2 404.518 3.098 20 0 HGADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(C)c5ccccc5[nH+]4)CCO3)C2)cs1 ZINC001164925551 721827180 /nfs/dbraw/zinc/82/71/80/721827180.db2.gz RXMBWSDDSXWQCP-QHCPKHFHSA-N 1 2 424.570 3.416 20 0 HGADLO CCSc1cc[nH+]c(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)c1 ZINC001164925141 721833675 /nfs/dbraw/zinc/83/36/75/721833675.db2.gz NYCMNIDEYJYLHE-HXUWFJFHSA-N 1 2 420.604 3.066 20 0 HGADLO Fc1ccc2nc(C(F)(F)N3CC[NH+](C[C@H]4CCCO4)CC3)nc(Cl)c2c1 ZINC001165038468 721908164 /nfs/dbraw/zinc/90/81/64/721908164.db2.gz LODCPXIKHPJKOP-CYBMUJFWSA-N 1 2 400.832 3.268 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(Cl)cc(Cl)n1)CC2 ZINC001164948978 721969579 /nfs/dbraw/zinc/96/95/79/721969579.db2.gz WBRGOAVHWVZGRA-UHFFFAOYSA-N 1 2 405.329 3.359 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(Cl)cc(Cl)n1)CC2 ZINC001164948978 721969582 /nfs/dbraw/zinc/96/95/82/721969582.db2.gz WBRGOAVHWVZGRA-UHFFFAOYSA-N 1 2 405.329 3.359 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164945005 721972988 /nfs/dbraw/zinc/97/29/88/721972988.db2.gz MPGCIDXIURVPEQ-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc3cc(Cl)cnc3n1)CC2 ZINC001164945005 721972993 /nfs/dbraw/zinc/97/29/93/721972993.db2.gz MPGCIDXIURVPEQ-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc3ccc(F)cc3cn1)CC2 ZINC001164951101 721979316 /nfs/dbraw/zinc/97/93/16/721979316.db2.gz XWACLFUHOJNHSV-UHFFFAOYSA-N 1 2 404.489 3.345 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc3ccc(F)cc3cn1)CC2 ZINC001164951101 721979320 /nfs/dbraw/zinc/97/93/20/721979320.db2.gz XWACLFUHOJNHSV-UHFFFAOYSA-N 1 2 404.489 3.345 20 0 HGADLO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055365 722016143 /nfs/dbraw/zinc/01/61/43/722016143.db2.gz GVUUPLOUKMNRGC-UHFFFAOYSA-N 1 2 402.276 3.174 20 0 HGADLO COc1cccc(-c2nnc(C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)o2)c1 ZINC001197295663 1126153801 /nfs/dbraw/zinc/15/38/01/1126153801.db2.gz HGRADUWCWSOOJA-AEFFLSMTSA-N 1 2 407.392 3.369 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(COC)nn1)CC2 ZINC001164664152 719355309 /nfs/dbraw/zinc/35/53/09/719355309.db2.gz LAFAKULEMJYVQM-UHFFFAOYSA-N 1 2 418.545 3.318 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(COC)nn1)CC2 ZINC001164664152 719355311 /nfs/dbraw/zinc/35/53/11/719355311.db2.gz LAFAKULEMJYVQM-UHFFFAOYSA-N 1 2 418.545 3.318 20 0 HGADLO CC(C)n1cnc2cnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc21 ZINC001164672560 719524475 /nfs/dbraw/zinc/52/44/75/719524475.db2.gz KVGNWKVLQKHUDL-UHFFFAOYSA-N 1 2 424.524 3.418 20 0 HGADLO CC(C)n1cnc2cnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc21 ZINC001164672560 719524491 /nfs/dbraw/zinc/52/44/91/719524491.db2.gz KVGNWKVLQKHUDL-UHFFFAOYSA-N 1 2 424.524 3.418 20 0 HGADLO Fc1ccc(C[N@H+]2CCOCC23CCN([C@@H](F)Oc2ccc(Cl)nn2)CC3)cc1 ZINC001164677403 719532613 /nfs/dbraw/zinc/53/26/13/719532613.db2.gz DPXOPEMCTLYDDN-LJQANCHMSA-N 1 2 424.879 3.268 20 0 HGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN([C@@H](F)Oc2ccc(Cl)nn2)CC3)cc1 ZINC001164677403 719532623 /nfs/dbraw/zinc/53/26/23/719532623.db2.gz DPXOPEMCTLYDDN-LJQANCHMSA-N 1 2 424.879 3.268 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C2CCCCC2)nc(C)n1 ZINC001164706522 719865571 /nfs/dbraw/zinc/86/55/71/719865571.db2.gz PTDXKRNRPRDMKP-AUSIDOKSSA-N 1 2 416.566 3.065 20 0 HGADLO F[C@@H](Oc1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767993 721274052 /nfs/dbraw/zinc/27/40/52/721274052.db2.gz IPFWUUKMZMQCES-AUUYWEPGSA-N 1 2 403.845 3.169 20 0 HGADLO CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164781038 721392946 /nfs/dbraw/zinc/39/29/46/721392946.db2.gz AHMAVKKPRVSLSP-QWRGUYRKSA-N 1 2 417.938 3.422 20 0 HGADLO c1ccc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)cc1 ZINC001164913571 721775175 /nfs/dbraw/zinc/77/51/75/721775175.db2.gz XRXLSBYBOUUVEJ-VWLOTQADSA-N 1 2 416.525 3.251 20 0 HGADLO c1ccc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)cc1 ZINC001164913571 721775180 /nfs/dbraw/zinc/77/51/80/721775180.db2.gz XRXLSBYBOUUVEJ-VWLOTQADSA-N 1 2 416.525 3.251 20 0 HGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(Cl)n2)CC1 ZINC001164918104 721812584 /nfs/dbraw/zinc/81/25/84/721812584.db2.gz OPDPRONQLKSQGA-UHFFFAOYSA-N 1 2 417.291 3.274 20 0 HGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(Cl)n2)CC1 ZINC001164918104 721812585 /nfs/dbraw/zinc/81/25/85/721812585.db2.gz OPDPRONQLKSQGA-UHFFFAOYSA-N 1 2 417.291 3.274 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3cccc(F)c32)CC1 ZINC001164916720 721814691 /nfs/dbraw/zinc/81/46/91/721814691.db2.gz GBPMXUZQHBPNHN-UHFFFAOYSA-N 1 2 400.889 3.368 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3sc(C)nc3C)nn2)CC1 ZINC001164918091 721820779 /nfs/dbraw/zinc/82/07/79/721820779.db2.gz AWIOSFHBBLLIJP-UHFFFAOYSA-N 1 2 409.563 3.163 20 0 HGADLO Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(C(C)(C)C)c[nH+]4)CCO3)C2)cs1 ZINC001164927213 721834440 /nfs/dbraw/zinc/83/44/40/721834440.db2.gz SUWYQXLGGJTIPT-QFIPXVFZSA-N 1 2 416.591 3.252 20 0 HGADLO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044304 721957765 /nfs/dbraw/zinc/95/77/65/721957765.db2.gz HSEQSKNMYRSZNM-UHFFFAOYSA-N 1 2 419.863 3.424 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164945861 721973256 /nfs/dbraw/zinc/97/32/56/721973256.db2.gz UDOAASSWJRSGOC-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc3ccc(Cl)cc3n1)CC2 ZINC001164945861 721973257 /nfs/dbraw/zinc/97/32/57/721973257.db2.gz UDOAASSWJRSGOC-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO COc1cccc(-c2nnc(C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)o2)c1 ZINC001197295668 1126153767 /nfs/dbraw/zinc/15/37/67/1126153767.db2.gz HGRADUWCWSOOJA-SJLPKXTDSA-N 1 2 407.392 3.369 20 0 HGADLO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@@](C)(CO)Cc3ccccc3F)s2)cc1 ZINC001473840117 1126200467 /nfs/dbraw/zinc/20/04/67/1126200467.db2.gz QUNLHCNRZBXABG-OAQYLSRUSA-N 1 2 414.506 3.321 20 0 HGADLO COc1cc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)ccc1OC(F)F ZINC000032937077 522156806 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CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)ncn1)CC2 ZINC001164662649 719344834 /nfs/dbraw/zinc/34/48/34/719344834.db2.gz RERVCKFOBVMHPA-UHFFFAOYSA-N 1 2 404.518 3.180 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(OC)c1C)CC2 ZINC001164663534 719349746 /nfs/dbraw/zinc/34/97/46/719349746.db2.gz JZWDFVOFXCVYLF-UHFFFAOYSA-N 1 2 418.545 3.488 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(OC)c1C)CC2 ZINC001164663534 719349748 /nfs/dbraw/zinc/34/97/48/719349748.db2.gz JZWDFVOFXCVYLF-UHFFFAOYSA-N 1 2 418.545 3.488 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(OC)ncc1F)CC2 ZINC001164663088 719349900 /nfs/dbraw/zinc/34/99/00/719349900.db2.gz CKMDCFOCPVYTQY-UHFFFAOYSA-N 1 2 422.508 3.319 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(OC)ncc1F)CC2 ZINC001164663088 719349903 /nfs/dbraw/zinc/34/99/03/719349903.db2.gz CKMDCFOCPVYTQY-UHFFFAOYSA-N 1 2 422.508 3.319 20 0 HGADLO COc1cnc(SC)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674411 719494246 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FC(F)(c1cc(Cl)nc(Cl)n1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676901 719562452 /nfs/dbraw/zinc/56/24/52/719562452.db2.gz ICQWPTNZKKQZIO-UHFFFAOYSA-N 1 2 401.204 3.124 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cccc(Cl)c2n1 ZINC001164699990 719849998 /nfs/dbraw/zinc/84/99/98/719849998.db2.gz JHWOZDSNEQEVFL-KKSFZXQISA-N 1 2 403.910 3.121 20 0 HGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5ccccc5cn4)CC3)C2=O)cs1 ZINC001164826487 720363581 /nfs/dbraw/zinc/36/35/81/720363581.db2.gz WAEXWRNFHZRINA-UHFFFAOYSA-N 1 2 421.570 3.313 20 0 HGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5ccccc5cn4)CC3)C2=O)cs1 ZINC001164826487 720363586 /nfs/dbraw/zinc/36/35/86/720363586.db2.gz WAEXWRNFHZRINA-UHFFFAOYSA-N 1 2 421.570 3.313 20 0 HGADLO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164827609 720399416 /nfs/dbraw/zinc/39/94/16/720399416.db2.gz GJVJUCVDRKFSAL-UHFFFAOYSA-N 1 2 419.867 3.404 20 0 HGADLO COC[C@@]12CCCO[C@@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164846533 720824996 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3.261 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001165010836 721702025 /nfs/dbraw/zinc/70/20/25/721702025.db2.gz NKTKUXLFWGNFOX-UHFFFAOYSA-N 1 2 402.852 3.261 20 0 HGADLO COc1ccc(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1Cl ZINC001165011254 721706468 /nfs/dbraw/zinc/70/64/68/721706468.db2.gz PEXSGIXXZAPRKA-UHFFFAOYSA-N 1 2 414.888 3.131 20 0 HGADLO COc1ccc(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1Cl ZINC001165011254 721706470 /nfs/dbraw/zinc/70/64/70/721706470.db2.gz PEXSGIXXZAPRKA-UHFFFAOYSA-N 1 2 414.888 3.131 20 0 HGADLO Cc1cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1-c1ccccc1F ZINC001165011032 721720934 /nfs/dbraw/zinc/72/09/34/721720934.db2.gz MLHUBBQLMBSGOK-UHFFFAOYSA-N 1 2 409.513 3.433 20 0 HGADLO Cc1cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1-c1ccccc1F ZINC001165011032 721720942 /nfs/dbraw/zinc/72/09/42/721720942.db2.gz MLHUBBQLMBSGOK-UHFFFAOYSA-N 1 2 409.513 3.433 20 0 HGADLO Cc1c(Cl)cnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915588 721791805 /nfs/dbraw/zinc/79/18/05/721791805.db2.gz LPUIDRMVEZEJOC-FQEVSTJZSA-N 1 2 423.344 3.200 20 0 HGADLO Cc1c(Cl)cnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915588 721791806 /nfs/dbraw/zinc/79/18/06/721791806.db2.gz LPUIDRMVEZEJOC-FQEVSTJZSA-N 1 2 423.344 3.200 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc3cc(Cl)ccc3n1)CC2 ZINC001164945132 721975047 /nfs/dbraw/zinc/97/50/47/721975047.db2.gz DGPSMRGNSQGUAW-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc3cc(Cl)ccc3n1)CC2 ZINC001164945132 721975049 /nfs/dbraw/zinc/97/50/49/721975049.db2.gz DGPSMRGNSQGUAW-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H](NC(=O)c2cscn2)[C@H]2OCCC[C@H]21 ZINC001164952225 722002213 /nfs/dbraw/zinc/00/22/13/722002213.db2.gz QLQDALUJKJPIRJ-YSVLISHTSA-N 1 2 406.939 3.088 20 0 HGADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H](NC(=O)c2cscn2)[C@H]2OCCC[C@H]21 ZINC001164952225 722002216 /nfs/dbraw/zinc/00/22/16/722002216.db2.gz QLQDALUJKJPIRJ-YSVLISHTSA-N 1 2 406.939 3.088 20 0 HGADLO COc1cc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)[nH+]c2ccccc21 ZINC001165006768 722266637 /nfs/dbraw/zinc/26/66/37/722266637.db2.gz MVTOLMJMOOLAEI-XMMPIXPASA-N 1 2 420.488 3.310 20 0 HGADLO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ncsc2Br)cc1OC ZINC001473840203 1126200582 /nfs/dbraw/zinc/20/05/82/1126200582.db2.gz SJRBJEKQSAAEER-MRXNPFEDSA-N 1 2 401.326 3.006 20 0 HGADLO COc1ccccc1-c1nnc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)o1 ZINC001560100978 1126207812 /nfs/dbraw/zinc/20/78/12/1126207812.db2.gz YWTCHOXEFDYKQQ-MAUKXSAKSA-N 1 2 407.392 3.369 20 0 HGADLO Cc1noc(-c2cccnc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673977 719523219 /nfs/dbraw/zinc/52/32/19/719523219.db2.gz WMTUBODVXQCYDV-UHFFFAOYSA-N 1 2 423.492 3.451 20 0 HGADLO Cc1noc(-c2cccnc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673977 719523225 /nfs/dbraw/zinc/52/32/25/719523225.db2.gz WMTUBODVXQCYDV-UHFFFAOYSA-N 1 2 423.492 3.451 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)cc(Cl)nc1Cl ZINC001164701634 719846882 /nfs/dbraw/zinc/84/68/82/719846882.db2.gz MRXFJZMDRSAHSP-DIFFPNOSSA-N 1 2 422.740 3.275 20 0 HGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)ccc1F ZINC001164725467 720313661 /nfs/dbraw/zinc/31/36/61/720313661.db2.gz VQTCQPKNEAOSAB-CQSZACIVSA-N 1 2 415.847 3.436 20 0 HGADLO FC(F)(COc1ccnc(Cl)c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758317 720976112 /nfs/dbraw/zinc/97/61/12/720976112.db2.gz VCCOTHRLMOXRBS-OAHLLOKOSA-N 1 2 412.868 3.462 20 0 HGADLO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758017 720978780 /nfs/dbraw/zinc/97/87/80/720978780.db2.gz RWSYZISBVRLQSB-LBPRGKRZSA-N 1 2 415.897 3.223 20 0 HGADLO COc1cccc(Oc2cncc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)n2)c1 ZINC001165008345 721709123 /nfs/dbraw/zinc/70/91/23/721709123.db2.gz FKXXTUVIAYEMJQ-UHFFFAOYSA-N 1 2 423.521 3.120 20 0 HGADLO COc1cccc(Oc2cncc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)n2)c1 ZINC001165008345 721709124 /nfs/dbraw/zinc/70/91/24/721709124.db2.gz FKXXTUVIAYEMJQ-UHFFFAOYSA-N 1 2 423.521 3.120 20 0 HGADLO Cc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164913290 721768355 /nfs/dbraw/zinc/76/83/55/721768355.db2.gz VTNHVTPYUKPTOQ-DEOSSOPVSA-N 1 2 404.514 3.046 20 0 HGADLO Cc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164913290 721768356 /nfs/dbraw/zinc/76/83/56/721768356.db2.gz VTNHVTPYUKPTOQ-DEOSSOPVSA-N 1 2 404.514 3.046 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c(Cl)nccc32)CC1 ZINC001164918718 721818245 /nfs/dbraw/zinc/81/82/45/721818245.db2.gz SDSCIICQMYFZPT-UHFFFAOYSA-N 1 2 418.332 3.278 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc3ccccc3nc1Cl)CC2 ZINC001164945114 721972651 /nfs/dbraw/zinc/97/26/51/721972651.db2.gz PBIOBNIVGXUNGW-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc3ccccc3nc1Cl)CC2 ZINC001164945114 721972653 /nfs/dbraw/zinc/97/26/53/721972653.db2.gz PBIOBNIVGXUNGW-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164945869 721975833 /nfs/dbraw/zinc/97/58/33/721975833.db2.gz GUUDMTAWYQZRCX-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc3c(Cl)ccnc3cn1)CC2 ZINC001164945869 721975834 /nfs/dbraw/zinc/97/58/34/721975834.db2.gz GUUDMTAWYQZRCX-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO CC(C)[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COc1ccccc1 ZINC000036159667 569102673 /nfs/dbraw/zinc/10/26/73/569102673.db2.gz KHMXSJVYCYHHQP-OAHLLOKOSA-N 1 2 413.543 3.124 20 0 HGADLO CC(C)[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COc1ccccc1 ZINC000036159667 569102674 /nfs/dbraw/zinc/10/26/74/569102674.db2.gz KHMXSJVYCYHHQP-OAHLLOKOSA-N 1 2 413.543 3.124 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(F)c[n+]1[O-])CC2 ZINC001164664067 719347428 /nfs/dbraw/zinc/34/74/28/719347428.db2.gz PVFIYKNERRYLKZ-UHFFFAOYSA-N 1 2 407.493 3.154 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(F)c[n+]1[O-])CC2 ZINC001164664067 719347431 /nfs/dbraw/zinc/34/74/31/719347431.db2.gz PVFIYKNERRYLKZ-UHFFFAOYSA-N 1 2 407.493 3.154 20 0 HGADLO CN(C)c1nc(Cl)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164670008 719492912 /nfs/dbraw/zinc/49/29/12/719492912.db2.gz WJOUHPRWQGRDOG-UHFFFAOYSA-N 1 2 419.932 3.207 20 0 HGADLO CN(C)c1nc(Cl)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164670008 719492921 /nfs/dbraw/zinc/49/29/21/719492921.db2.gz WJOUHPRWQGRDOG-UHFFFAOYSA-N 1 2 419.932 3.207 20 0 HGADLO Clc1ccc(OC(Cl)(Cl)N2CCc3onc(Cn4cc[nH+]c4)c3C2)cn1 ZINC001164677183 719567774 /nfs/dbraw/zinc/56/77/74/719567774.db2.gz VGAFYBSMUXYSPG-UHFFFAOYSA-N 1 2 414.680 3.494 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)c2ccc(C)c(C)c2n1 ZINC001164699837 719870235 /nfs/dbraw/zinc/87/02/35/719870235.db2.gz BTOYHWYNFHQOOB-NTKDMRAZSA-N 1 2 411.546 3.393 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(Cl)ccc(F)c2n1 ZINC001164708553 719877198 /nfs/dbraw/zinc/87/71/98/719877198.db2.gz ZVPMXXSBGMRLIT-SPLOXXLWSA-N 1 2 421.900 3.260 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(Cl)ccc(F)c2n1 ZINC001164708551 719877254 /nfs/dbraw/zinc/87/72/54/719877254.db2.gz ZVPMXXSBGMRLIT-LHSJRXKWSA-N 1 2 421.900 3.260 20 0 HGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(F)c(Cl)n1 ZINC001164721322 720312842 /nfs/dbraw/zinc/31/28/42/720312842.db2.gz FWKKKMLNHDIFLH-CQSZACIVSA-N 1 2 415.847 3.436 20 0 HGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)ncc1F ZINC001164723407 720313813 /nfs/dbraw/zinc/31/38/13/720313813.db2.gz OOZZFVASFUYGLE-HNNXBMFYSA-N 1 2 415.847 3.436 20 0 HGADLO COC[C@]12CCCO[C@@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164846530 720824863 /nfs/dbraw/zinc/82/48/63/720824863.db2.gz FLDGCOBQVLYQAC-ISKFKSNPSA-N 1 2 408.546 3.057 20 0 HGADLO COC[C@]12CCCO[C@@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164846530 720824865 /nfs/dbraw/zinc/82/48/65/720824865.db2.gz FLDGCOBQVLYQAC-ISKFKSNPSA-N 1 2 408.546 3.057 20 0 HGADLO Cc1cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc(Cl)n1 ZINC001164876199 721218440 /nfs/dbraw/zinc/21/84/40/721218440.db2.gz ZVJSOTSJFYHETD-UHFFFAOYSA-N 1 2 409.868 3.254 20 0 HGADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164791215 721422476 /nfs/dbraw/zinc/42/24/76/721422476.db2.gz ZUDKSACWNGAQAE-VXGBXAGGSA-N 1 2 422.892 3.248 20 0 HGADLO Cc1cc(-c2cccc(F)c2)nnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009890 721719833 /nfs/dbraw/zinc/71/98/33/721719833.db2.gz BKOLPWCAEKKSPA-UHFFFAOYSA-N 1 2 409.513 3.433 20 0 HGADLO Cc1cc(-c2cccc(F)c2)nnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009890 721719838 /nfs/dbraw/zinc/71/98/38/721719838.db2.gz BKOLPWCAEKKSPA-UHFFFAOYSA-N 1 2 409.513 3.433 20 0 HGADLO CC(C)C(=O)N1CCC[C@@]12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001165011819 721724557 /nfs/dbraw/zinc/72/45/57/721724557.db2.gz VUVFRSPDUMOFMR-VWLOTQADSA-N 1 2 419.573 3.262 20 0 HGADLO CC(C)C(=O)N1CCC[C@@]12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001165011819 721724561 /nfs/dbraw/zinc/72/45/61/721724561.db2.gz VUVFRSPDUMOFMR-VWLOTQADSA-N 1 2 419.573 3.262 20 0 HGADLO Cc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)cc1Cl ZINC001164914118 721791597 /nfs/dbraw/zinc/79/15/97/721791597.db2.gz BWOMQVHSTUMQME-HXUWFJFHSA-N 1 2 423.344 3.200 20 0 HGADLO Cc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)cc1Cl ZINC001164914118 721791599 /nfs/dbraw/zinc/79/15/99/721791599.db2.gz BWOMQVHSTUMQME-HXUWFJFHSA-N 1 2 423.344 3.200 20 0 HGADLO COc1ccc(CN2C(=O)CO[C@@H]3C[N@H+](C(C)(C)c4ccnc(Cl)c4)C[C@H]32)cc1 ZINC001165023315 721797349 /nfs/dbraw/zinc/79/73/49/721797349.db2.gz JGDQHTUKGPVNHQ-RTBURBONSA-N 1 2 415.921 3.091 20 0 HGADLO COc1ccc(CN2C(=O)CO[C@@H]3C[N@@H+](C(C)(C)c4ccnc(Cl)c4)C[C@H]32)cc1 ZINC001165023315 721797350 /nfs/dbraw/zinc/79/73/50/721797350.db2.gz JGDQHTUKGPVNHQ-RTBURBONSA-N 1 2 415.921 3.091 20 0 HGADLO COc1ccc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)nc1Cl ZINC001164919039 721816588 /nfs/dbraw/zinc/81/65/88/721816588.db2.gz YWSAJFYRQMCEPF-UHFFFAOYSA-N 1 2 411.884 3.235 20 0 HGADLO COc1ccc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)nc1Cl ZINC001164919039 721816590 /nfs/dbraw/zinc/81/65/90/721816590.db2.gz YWSAJFYRQMCEPF-UHFFFAOYSA-N 1 2 411.884 3.235 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(-c3nc(C(C)C)no3)ccn2)CC1 ZINC001164918885 721820333 /nfs/dbraw/zinc/82/03/33/721820333.db2.gz IHSGRNAKTGOYRC-UHFFFAOYSA-N 1 2 407.522 3.201 20 0 HGADLO Cc1ccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)o1 ZINC001164947351 721979845 /nfs/dbraw/zinc/97/98/45/721979845.db2.gz GRZLJJCOGUKRBP-UHFFFAOYSA-N 1 2 417.513 3.016 20 0 HGADLO Cc1ccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)o1 ZINC001164947351 721979847 /nfs/dbraw/zinc/97/98/47/721979847.db2.gz GRZLJJCOGUKRBP-UHFFFAOYSA-N 1 2 417.513 3.016 20 0 HGADLO COC1(c2nc(C3CC3)no2)CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000583615901 560776309 /nfs/dbraw/zinc/77/63/09/560776309.db2.gz MCWUQKFWTUVMJA-UHFFFAOYSA-N 1 2 404.898 3.485 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(C)c(C)n1)CC2 ZINC001164658478 719355378 /nfs/dbraw/zinc/35/53/78/719355378.db2.gz HMTXZBICUVAPOE-UHFFFAOYSA-N 1 2 403.534 3.183 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(C)c(C)n1)CC2 ZINC001164658478 719355383 /nfs/dbraw/zinc/35/53/83/719355383.db2.gz HMTXZBICUVAPOE-UHFFFAOYSA-N 1 2 403.534 3.183 20 0 HGADLO Fc1ccc(C[N@H+]2CCOCC23CCN([C@@H](F)Oc2cncc(Cl)n2)CC3)cc1 ZINC001164678366 719530127 /nfs/dbraw/zinc/53/01/27/719530127.db2.gz KIZGSUYNEGQUAJ-LJQANCHMSA-N 1 2 424.879 3.268 20 0 HGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN([C@@H](F)Oc2cncc(Cl)n2)CC3)cc1 ZINC001164678366 719530142 /nfs/dbraw/zinc/53/01/42/719530142.db2.gz KIZGSUYNEGQUAJ-LJQANCHMSA-N 1 2 424.879 3.268 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(Cl)cc2n1 ZINC001164697745 719860640 /nfs/dbraw/zinc/86/06/40/719860640.db2.gz AADACFQOKPXNKN-UTKZUKDTSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C2CCCCC2)nc(C)n1 ZINC001164706529 719865391 /nfs/dbraw/zinc/86/53/91/719865391.db2.gz PTDXKRNRPRDMKP-WMZHIEFXSA-N 1 2 416.566 3.065 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(Cl)ccc(F)c2n1 ZINC001164708552 719877338 /nfs/dbraw/zinc/87/73/38/719877338.db2.gz ZVPMXXSBGMRLIT-QKKBWIMNSA-N 1 2 421.900 3.260 20 0 HGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(C)nc(Cl)n1 ZINC001164724588 720313020 /nfs/dbraw/zinc/31/30/20/720313020.db2.gz RLFPFZCWEFXCNA-AWEZNQCLSA-N 1 2 412.872 3.001 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3[nH]cc(Cl)c31)C2 ZINC001165010796 721694323 /nfs/dbraw/zinc/69/43/23/721694323.db2.gz XFWKRKSXWJTYII-UHFFFAOYSA-N 1 2 409.325 3.107 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3[nH]cc(Cl)c31)C2 ZINC001165010796 721694328 /nfs/dbraw/zinc/69/43/28/721694328.db2.gz XFWKRKSXWJTYII-UHFFFAOYSA-N 1 2 409.325 3.107 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nnc(Cl)c3ccc(F)cc31)C2 ZINC001165012009 721718792 /nfs/dbraw/zinc/71/87/92/721718792.db2.gz YLXQODLGKIUERY-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nnc(Cl)c3ccc(F)cc31)C2 ZINC001165012009 721718801 /nfs/dbraw/zinc/71/88/01/721718801.db2.gz YLXQODLGKIUERY-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1c(F)ccc3c(Cl)ncnc31)C2 ZINC001165011479 721721393 /nfs/dbraw/zinc/72/13/93/721721393.db2.gz QQXBKVASNWKNLT-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1c(F)ccc3c(Cl)ncnc31)C2 ZINC001165011479 721721395 /nfs/dbraw/zinc/72/13/95/721721395.db2.gz QQXBKVASNWKNLT-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO Cc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164913291 721768055 /nfs/dbraw/zinc/76/80/55/721768055.db2.gz VTNHVTPYUKPTOQ-XMMPIXPASA-N 1 2 404.514 3.046 20 0 HGADLO Cc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164913291 721768059 /nfs/dbraw/zinc/76/80/59/721768059.db2.gz VTNHVTPYUKPTOQ-XMMPIXPASA-N 1 2 404.514 3.046 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nccc(Oc3cccc(F)c3)n2)CC1 ZINC001164918288 721817976 /nfs/dbraw/zinc/81/79/76/721817976.db2.gz LYTKFZOWEIKWMV-UHFFFAOYSA-N 1 2 408.481 3.354 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3c(F)cccc3F)nn2)CC1 ZINC001164919398 721820459 /nfs/dbraw/zinc/82/04/59/721820459.db2.gz PPZQDIFFUALBLD-UHFFFAOYSA-N 1 2 410.472 3.368 20 0 HGADLO COc1ccc2[nH+]c(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)cc(C)c2c1 ZINC001164933752 721905647 /nfs/dbraw/zinc/90/56/47/721905647.db2.gz PMTXZLOSCFYBBZ-UHFFFAOYSA-N 1 2 421.545 3.157 20 0 HGADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044062 721960038 /nfs/dbraw/zinc/96/00/38/721960038.db2.gz GAVAXSMYFZVKBY-UHFFFAOYSA-N 1 2 408.880 3.365 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ccc1Cl)CC2 ZINC001164945667 721972799 /nfs/dbraw/zinc/97/27/99/721972799.db2.gz POOYNTCPPIEVPC-UHFFFAOYSA-N 1 2 405.329 3.359 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ccc1Cl)CC2 ZINC001164945667 721972802 /nfs/dbraw/zinc/97/28/02/721972802.db2.gz POOYNTCPPIEVPC-UHFFFAOYSA-N 1 2 405.329 3.359 20 0 HGADLO CC(C)(C)OC(=O)c1cnc(N2CC[NH+](CCc3ccccn3)CC2)c(Cl)c1 ZINC001165055285 722019714 /nfs/dbraw/zinc/01/97/14/722019714.db2.gz OSFZOGCJSWPUDP-UHFFFAOYSA-N 1 2 402.926 3.450 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cc(Cl)ccc2n1 ZINC001164706607 719842808 /nfs/dbraw/zinc/84/28/08/719842808.db2.gz XWNBBGMQAKJVBT-UTKZUKDTSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)ncc(Cl)c1Cl ZINC001164702506 719856482 /nfs/dbraw/zinc/85/64/82/719856482.db2.gz NMPBFFQPMKPCPD-APPDUMDISA-N 1 2 422.740 3.275 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(C)C)nc(C(C)(C)C)n1 ZINC001164705712 719872910 /nfs/dbraw/zinc/87/29/10/719872910.db2.gz OAPJABBCOLVVRD-UZUQRXQVSA-N 1 2 418.582 3.130 20 0 HGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5ccccc5n4)CC3)C2=O)cs1 ZINC001164824820 720358699 /nfs/dbraw/zinc/35/86/99/720358699.db2.gz MYNDOSCEYIPKFX-UHFFFAOYSA-N 1 2 421.570 3.313 20 0 HGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5ccccc5n4)CC3)C2=O)cs1 ZINC001164824820 720358703 /nfs/dbraw/zinc/35/87/03/720358703.db2.gz MYNDOSCEYIPKFX-UHFFFAOYSA-N 1 2 421.570 3.313 20 0 HGADLO Cc1nc(CN2CCN(C)C3(CCN(c4cccc(C5CC5)[nH+]4)CC3)C2=O)cs1 ZINC001164823634 720383675 /nfs/dbraw/zinc/38/36/75/720383675.db2.gz OZXBVJIACHUBIM-UHFFFAOYSA-N 1 2 411.575 3.037 20 0 HGADLO FC(F)(COc1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164756765 720977637 /nfs/dbraw/zinc/97/76/37/720977637.db2.gz KOQICYSGVPZDMI-HNNXBMFYSA-N 1 2 412.868 3.462 20 0 HGADLO FC(F)(Oc1cccnc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767700 721273348 /nfs/dbraw/zinc/27/33/48/721273348.db2.gz SDZLITYWARNORE-AWEZNQCLSA-N 1 2 421.835 3.467 20 0 HGADLO Cc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c(Cl)nn1 ZINC001164770664 721275810 /nfs/dbraw/zinc/27/58/10/721275810.db2.gz WNRVCPAHUANXPH-CQSZACIVSA-N 1 2 420.851 3.290 20 0 HGADLO COc1ccc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1Cl ZINC001164784216 721414951 /nfs/dbraw/zinc/41/49/51/721414951.db2.gz KVIWFLLTFWUAAR-RYUDHWBXSA-N 1 2 400.882 3.313 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(NC(=O)OC(C)(C)C)cn1)C2 ZINC001165008979 721713305 /nfs/dbraw/zinc/71/33/05/721713305.db2.gz MFAHWFLDCLTIPY-UHFFFAOYSA-N 1 2 415.542 3.271 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(NC(=O)OC(C)(C)C)cn1)C2 ZINC001165008979 721713311 /nfs/dbraw/zinc/71/33/11/721713311.db2.gz MFAHWFLDCLTIPY-UHFFFAOYSA-N 1 2 415.542 3.271 20 0 HGADLO COc1cccc2nc(Cl)nc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)c21 ZINC001164916153 721816134 /nfs/dbraw/zinc/81/61/34/721816134.db2.gz ASNPBZDWEBLORC-UHFFFAOYSA-N 1 2 412.925 3.238 20 0 HGADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918477 721816544 /nfs/dbraw/zinc/81/65/44/721816544.db2.gz ZVHXIKHYBPMQTN-UHFFFAOYSA-N 1 2 417.941 3.166 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cncc(Oc3cccc(F)c3)n2)CC1 ZINC001164917273 721817635 /nfs/dbraw/zinc/81/76/35/721817635.db2.gz FWEMRDRBOYLDBD-UHFFFAOYSA-N 1 2 408.481 3.354 20 0 HGADLO COc1cccc(Oc2cncc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)n2)c1 ZINC001164918329 721817670 /nfs/dbraw/zinc/81/76/70/721817670.db2.gz OAMXIZTZQJLZME-UHFFFAOYSA-N 1 2 420.517 3.224 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164945059 721975532 /nfs/dbraw/zinc/97/55/32/721975532.db2.gz BHPHJSLMIKZLDL-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc3c(Cl)ccnc3n1)CC2 ZINC001164945059 721975535 /nfs/dbraw/zinc/97/55/35/721975535.db2.gz BHPHJSLMIKZLDL-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164948800 721978748 /nfs/dbraw/zinc/97/87/48/721978748.db2.gz LMBUTCFHCQRZHW-UHFFFAOYSA-N 1 2 419.554 3.176 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(-c3cccs3)ncn1)CC2 ZINC001164948800 721978750 /nfs/dbraw/zinc/97/87/50/721978750.db2.gz LMBUTCFHCQRZHW-UHFFFAOYSA-N 1 2 419.554 3.176 20 0 HGADLO COc1ccc2c[nH+]c(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)cc2c1 ZINC001165007211 722266511 /nfs/dbraw/zinc/26/65/11/722266511.db2.gz QIKIRQBQNKIXSV-XMMPIXPASA-N 1 2 420.488 3.310 20 0 HGADLO OCC1([NH2+]Cc2noc(Cc3ccc(Br)cc3)n2)Cc2ccccc2C1 ZINC000581282553 1126098301 /nfs/dbraw/zinc/09/83/01/1126098301.db2.gz ABUUCLKMJISRPB-UHFFFAOYSA-N 1 2 414.303 3.042 20 0 HGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccnc2OC2CCC2)CC3)cc1 ZINC001164678808 719528319 /nfs/dbraw/zinc/52/83/19/719528319.db2.gz ODPYQKVXCGZZMD-UHFFFAOYSA-N 1 2 412.509 3.418 20 0 HGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccnc2OC2CCC2)CC3)cc1 ZINC001164678808 719528327 /nfs/dbraw/zinc/52/83/27/719528327.db2.gz ODPYQKVXCGZZMD-UHFFFAOYSA-N 1 2 412.509 3.418 20 0 HGADLO Fc1ccc(C[N@H+]2CCOCC23CCN([C@H](F)Oc2ccc(Cl)nn2)CC3)cc1 ZINC001164677402 719533203 /nfs/dbraw/zinc/53/32/03/719533203.db2.gz DPXOPEMCTLYDDN-IBGZPJMESA-N 1 2 424.879 3.268 20 0 HGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN([C@H](F)Oc2ccc(Cl)nn2)CC3)cc1 ZINC001164677402 719533213 /nfs/dbraw/zinc/53/32/13/719533213.db2.gz DPXOPEMCTLYDDN-IBGZPJMESA-N 1 2 424.879 3.268 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cc(Cl)ccc2n1 ZINC001164706609 719842669 /nfs/dbraw/zinc/84/26/69/719842669.db2.gz XWNBBGMQAKJVBT-UWJYYQICSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cccc(Cl)c2n1 ZINC001164699986 719849953 /nfs/dbraw/zinc/84/99/53/719849953.db2.gz JHWOZDSNEQEVFL-HRAATJIYSA-N 1 2 403.910 3.121 20 0 HGADLO O[C@H]1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]1Cc1ccccc1 ZINC001164835657 720485849 /nfs/dbraw/zinc/48/58/49/720485849.db2.gz ZKBLOSKPLCTUPM-ZEQRLZLVSA-N 1 2 400.526 3.217 20 0 HGADLO O[C@H]1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]1Cc1ccccc1 ZINC001164835657 720485855 /nfs/dbraw/zinc/48/58/55/720485855.db2.gz ZKBLOSKPLCTUPM-ZEQRLZLVSA-N 1 2 400.526 3.217 20 0 HGADLO Cc1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)n1 ZINC001164769746 721272259 /nfs/dbraw/zinc/27/22/59/721272259.db2.gz ZKBXTXAFFPCFNW-CQSZACIVSA-N 1 2 420.851 3.290 20 0 HGADLO FC(F)(Oc1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767768 721273018 /nfs/dbraw/zinc/27/30/18/721273018.db2.gz SQFHSCXSBHSTPC-CQSZACIVSA-N 1 2 421.835 3.467 20 0 HGADLO FC(F)(c1cnc(Cl)nc1Cl)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164783386 721391607 /nfs/dbraw/zinc/39/16/07/721391607.db2.gz HTIWTOBQTBXUKW-UWVGGRQHSA-N 1 2 406.289 3.353 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3ccc(F)cc31)C2 ZINC001165007571 721697243 /nfs/dbraw/zinc/69/72/43/721697243.db2.gz GAMNBDRPZQWQAH-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3ccc(F)cc31)C2 ZINC001165007571 721697247 /nfs/dbraw/zinc/69/72/47/721697247.db2.gz GAMNBDRPZQWQAH-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO COc1ccc2nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c(Cl)nc2c1 ZINC001165010478 721700861 /nfs/dbraw/zinc/70/08/61/721700861.db2.gz IXYQLUIZPHNVSM-UHFFFAOYSA-N 1 2 415.929 3.134 20 0 HGADLO COc1ccc2nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c(Cl)nc2c1 ZINC001165010478 721700867 /nfs/dbraw/zinc/70/08/67/721700867.db2.gz IXYQLUIZPHNVSM-UHFFFAOYSA-N 1 2 415.929 3.134 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc3nc(Cl)cnc3cc1F)C2 ZINC001165009078 721716086 /nfs/dbraw/zinc/71/60/86/721716086.db2.gz OTCDIGFGVYNTHY-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc3nc(Cl)cnc3cc1F)C2 ZINC001165009078 721716094 /nfs/dbraw/zinc/71/60/94/721716094.db2.gz OTCDIGFGVYNTHY-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO Cc1cccc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164910834 721767707 /nfs/dbraw/zinc/76/77/07/721767707.db2.gz CMHGOJDHNZKNNZ-DEOSSOPVSA-N 1 2 404.514 3.046 20 0 HGADLO Cc1cccc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164910834 721767708 /nfs/dbraw/zinc/76/77/08/721767708.db2.gz CMHGOJDHNZKNNZ-DEOSSOPVSA-N 1 2 404.514 3.046 20 0 HGADLO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]ccc5c(C)cccc54)CCO3)C2)cs1 ZINC001164922841 721827992 /nfs/dbraw/zinc/82/79/92/721827992.db2.gz GVWXXKMGVGXRND-QHCPKHFHSA-N 1 2 424.570 3.416 20 0 HGADLO COc1ccc2c(cc[nH+]c2N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1 ZINC001165004201 722262140 /nfs/dbraw/zinc/26/21/40/722262140.db2.gz OFFAOROQBIIHHQ-DEOSSOPVSA-N 1 2 420.488 3.310 20 0 HGADLO Cc1cc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc(C(C)(C)C)[nH+]1 ZINC001165005720 722269115 /nfs/dbraw/zinc/26/91/15/722269115.db2.gz JITVPXYVPJVHEP-HSZRJFAPSA-N 1 2 411.525 3.149 20 0 HGADLO CCOC(=O)c1c(C)onc1C[NH2+][C@@](C)(CO)Cc1ccc(Br)cc1 ZINC001473840050 1126200477 /nfs/dbraw/zinc/20/04/77/1126200477.db2.gz PDHHRPIEUKUJEE-GOSISDBHSA-N 1 2 411.296 3.006 20 0 HGADLO O=C1Nc2ccccc2[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]12 ZINC001164401283 718855819 /nfs/dbraw/zinc/85/58/19/718855819.db2.gz AIYYCHAAAAIQQY-UXHICEINSA-N 1 2 411.509 3.207 20 0 HGADLO O=C1Nc2ccccc2[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]12 ZINC001164401283 718855821 /nfs/dbraw/zinc/85/58/21/718855821.db2.gz AIYYCHAAAAIQQY-UXHICEINSA-N 1 2 411.509 3.207 20 0 HGADLO COc1nc(C)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1C ZINC001164677873 719530168 /nfs/dbraw/zinc/53/01/68/719530168.db2.gz HVDNLIAJOINRPO-UHFFFAOYSA-N 1 2 400.498 3.113 20 0 HGADLO COc1nc(C)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1C ZINC001164677873 719530180 /nfs/dbraw/zinc/53/01/80/719530180.db2.gz HVDNLIAJOINRPO-UHFFFAOYSA-N 1 2 400.498 3.113 20 0 HGADLO CSc1nc(Cl)cc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)n1 ZINC001164677499 719562425 /nfs/dbraw/zinc/56/24/25/719562425.db2.gz OPAGDACWFVTJCG-UHFFFAOYSA-N 1 2 412.853 3.192 20 0 HGADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164704430 719876814 /nfs/dbraw/zinc/87/68/14/719876814.db2.gz LXPJOMPVGMGKQB-WDUKFBBWSA-N 1 2 424.973 3.185 20 0 HGADLO O[C@H]1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]1Cc1ccccc1 ZINC001164835655 720486149 /nfs/dbraw/zinc/48/61/49/720486149.db2.gz ZKBLOSKPLCTUPM-RPWUZVMVSA-N 1 2 400.526 3.217 20 0 HGADLO O[C@H]1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]1Cc1ccccc1 ZINC001164835655 720486154 /nfs/dbraw/zinc/48/61/54/720486154.db2.gz ZKBLOSKPLCTUPM-RPWUZVMVSA-N 1 2 400.526 3.217 20 0 HGADLO Nc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164876039 721217899 /nfs/dbraw/zinc/21/78/99/721217899.db2.gz ZPNBRNGHCMAECF-UHFFFAOYSA-N 1 2 409.868 3.133 20 0 HGADLO COc1ccc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c(Cl)n1 ZINC001164782333 721408460 /nfs/dbraw/zinc/40/84/60/721408460.db2.gz FRWTTYXKFMNHON-RYUDHWBXSA-N 1 2 400.882 3.313 20 0 HGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCc5ncnc(C6CC6)c5CC4)c3C2)cc1 ZINC001164915910 721803732 /nfs/dbraw/zinc/80/37/32/721803732.db2.gz MJHBSVWOARTFSL-UHFFFAOYSA-N 1 2 412.541 3.308 20 0 HGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCc5ncnc(C6CC6)c5CC4)c3C2)cc1 ZINC001164915910 721803733 /nfs/dbraw/zinc/80/37/33/721803733.db2.gz MJHBSVWOARTFSL-UHFFFAOYSA-N 1 2 412.541 3.308 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(OCc3ccccc3)cnn2)CC1 ZINC001164918596 721816729 /nfs/dbraw/zinc/81/67/29/721816729.db2.gz QEDATPFLGYLCBL-UHFFFAOYSA-N 1 2 404.518 3.002 20 0 HGADLO COc1ccc(-c2ccc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nn2)cc1 ZINC001164918891 721819076 /nfs/dbraw/zinc/81/90/76/721819076.db2.gz WWGMBLMXLJGDJP-UHFFFAOYSA-N 1 2 404.518 3.098 20 0 HGADLO Cc1nc(CN2CCOC[C@]3(CN(c4[nH+]ccc5c(C)cccc54)CCO3)C2)cs1 ZINC001164922840 721828093 /nfs/dbraw/zinc/82/80/93/721828093.db2.gz GVWXXKMGVGXRND-HSZRJFAPSA-N 1 2 424.570 3.416 20 0 HGADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[NH+](C2CCCC2)CC1 ZINC001165031583 721860902 /nfs/dbraw/zinc/86/09/02/721860902.db2.gz CTHZWTUAWURRIZ-UHFFFAOYSA-N 1 2 404.511 3.086 20 0 HGADLO COc1ccc2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2c1 ZINC001164945129 721975525 /nfs/dbraw/zinc/97/55/25/721975525.db2.gz DCZCDXLUHCDYOX-UHFFFAOYSA-N 1 2 416.525 3.214 20 0 HGADLO COc1ccc2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2c1 ZINC001164945129 721975527 /nfs/dbraw/zinc/97/55/27/721975527.db2.gz DCZCDXLUHCDYOX-UHFFFAOYSA-N 1 2 416.525 3.214 20 0 HGADLO O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000426757589 1126088243 /nfs/dbraw/zinc/08/82/43/1126088243.db2.gz DQHPMXDVKVBNHX-GOSISDBHSA-N 1 2 400.276 3.420 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(N(C)C)nn1)CC2 ZINC001164663113 719346242 /nfs/dbraw/zinc/34/62/42/719346242.db2.gz DCNCKRDBPPZKHE-UHFFFAOYSA-N 1 2 417.561 3.237 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(N(C)C)nn1)CC2 ZINC001164663113 719346245 /nfs/dbraw/zinc/34/62/45/719346245.db2.gz DCNCKRDBPPZKHE-UHFFFAOYSA-N 1 2 417.561 3.237 20 0 HGADLO COC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1C ZINC001164673200 719499248 /nfs/dbraw/zinc/49/92/48/719499248.db2.gz PQDDIGRXMDEORP-UHFFFAOYSA-N 1 2 413.493 3.187 20 0 HGADLO COC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1C ZINC001164673200 719499253 /nfs/dbraw/zinc/49/92/53/719499253.db2.gz PQDDIGRXMDEORP-UHFFFAOYSA-N 1 2 413.493 3.187 20 0 HGADLO COc1cnnc(Cl)c1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671372 719505680 /nfs/dbraw/zinc/50/56/80/719505680.db2.gz DZMFRIVZWHYZQX-UHFFFAOYSA-N 1 2 406.889 3.149 20 0 HGADLO COc1cnnc(Cl)c1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671372 719505686 /nfs/dbraw/zinc/50/56/86/719505686.db2.gz DZMFRIVZWHYZQX-UHFFFAOYSA-N 1 2 406.889 3.149 20 0 HGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(OCC4CC4)ncn2)CC3)cc1 ZINC001164670220 719512868 /nfs/dbraw/zinc/51/28/68/719512868.db2.gz BPRCOCOXHVXSJB-UHFFFAOYSA-N 1 2 412.509 3.276 20 0 HGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(OCC4CC4)ncn2)CC3)cc1 ZINC001164670220 719512879 /nfs/dbraw/zinc/51/28/79/719512879.db2.gz BPRCOCOXHVXSJB-UHFFFAOYSA-N 1 2 412.509 3.276 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)ncc(Cl)c1Cl ZINC001164702511 719856542 /nfs/dbraw/zinc/85/65/42/719856542.db2.gz NMPBFFQPMKPCPD-GTNSWQLSSA-N 1 2 422.740 3.275 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(Cl)cc2n1 ZINC001164697744 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CCOC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164670106 719494937 /nfs/dbraw/zinc/49/49/37/719494937.db2.gz WPTJVWQWHARZLQ-UHFFFAOYSA-N 1 2 413.493 3.269 20 0 HGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(Cl)c(C)n4)CC3)C2=O)cs1 ZINC001164826623 720366211 /nfs/dbraw/zinc/36/62/11/720366211.db2.gz XTUUNBKXTDTZLD-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(Cl)c(C)n4)CC3)C2=O)cs1 ZINC001164826623 720366218 /nfs/dbraw/zinc/36/62/18/720366218.db2.gz XTUUNBKXTDTZLD-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO FC(F)(COc1ccnc(Cl)c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758316 720976950 /nfs/dbraw/zinc/97/69/50/720976950.db2.gz VCCOTHRLMOXRBS-HNNXBMFYSA-N 1 2 412.868 3.462 20 0 HGADLO FC(F)(Oc1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767766 721273280 /nfs/dbraw/zinc/27/32/80/721273280.db2.gz SQFHSCXSBHSTPC-AWEZNQCLSA-N 1 2 421.835 3.467 20 0 HGADLO FC(F)(c1cc(Cl)nc(Cl)n1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781661 721391237 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ZINC001176590022 1126150012 /nfs/dbraw/zinc/15/00/12/1126150012.db2.gz ZPLGDEPQUKQRCT-NRFANRHFSA-N 1 2 422.501 3.052 20 0 HGADLO COC1(c2nc(C3CCOCC3)no2)CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000576842790 569071427 /nfs/dbraw/zinc/07/14/27/569071427.db2.gz FATPHZZMBPGLDK-UHFFFAOYSA-N 1 2 404.536 3.435 20 0 HGADLO CCOC(=O)c1cc2ccc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)[nH]c-2n1 ZINC001164649060 719313487 /nfs/dbraw/zinc/31/34/87/719313487.db2.gz NVSYTMPAZNSFEW-UHFFFAOYSA-N 1 2 410.522 3.141 20 0 HGADLO CCOC(=O)c1cc2ccc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)nc2[nH]1 ZINC001164649060 719313489 /nfs/dbraw/zinc/31/34/89/719313489.db2.gz NVSYTMPAZNSFEW-UHFFFAOYSA-N 1 2 410.522 3.141 20 0 HGADLO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(F)c1 ZINC001164674443 719503343 /nfs/dbraw/zinc/50/33/43/719503343.db2.gz XJLCAOZKUNETJJ-UHFFFAOYSA-N 1 2 417.456 3.018 20 0 HGADLO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(F)c1 ZINC001164674443 719503352 /nfs/dbraw/zinc/50/33/52/719503352.db2.gz 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Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(-c4ncc[nH]4)ccn2)CC3)cc1 ZINC001164671687 719517943 /nfs/dbraw/zinc/51/79/43/719517943.db2.gz HHSLPAAWBKQNTN-UHFFFAOYSA-N 1 2 407.493 3.482 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2cc1Cl ZINC001164699350 719849907 /nfs/dbraw/zinc/84/99/07/719849907.db2.gz HNWIPNKBHWVKPA-KKSFZXQISA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(C)(C)C)nc(C(C)C)n1 ZINC001164708070 719872717 /nfs/dbraw/zinc/87/27/17/719872717.db2.gz XMTAMRHMDIQILM-HXOBKFHXSA-N 1 2 418.582 3.130 20 0 HGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccnc(Cl)c1F ZINC001164721119 720311869 /nfs/dbraw/zinc/31/18/69/720311869.db2.gz FHTNFBMIDTZVKS-AWEZNQCLSA-N 1 2 415.847 3.436 20 0 HGADLO FC(F)(Sc1ccc(Cl)nc1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830538 720399401 /nfs/dbraw/zinc/39/94/01/720399401.db2.gz SBBIXYWFWILJKC-UHFFFAOYSA-N 1 2 411.869 3.120 20 0 HGADLO COCc1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc(-c2ccccc2)n1 ZINC001165007575 721695216 /nfs/dbraw/zinc/69/52/16/721695216.db2.gz GCUDBBPILOBPBF-UHFFFAOYSA-N 1 2 421.549 3.132 20 0 HGADLO COCc1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc(-c2ccccc2)n1 ZINC001165007575 721695218 /nfs/dbraw/zinc/69/52/18/721695218.db2.gz GCUDBBPILOBPBF-UHFFFAOYSA-N 1 2 421.549 3.132 20 0 HGADLO Clc1cc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911910 721777650 /nfs/dbraw/zinc/77/76/50/721777650.db2.gz IGORBVZSEQWOAH-HSZRJFAPSA-N 1 2 424.932 3.391 20 0 HGADLO Clc1cc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911910 721777652 /nfs/dbraw/zinc/77/76/52/721777652.db2.gz IGORBVZSEQWOAH-HSZRJFAPSA-N 1 2 424.932 3.391 20 0 HGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)COc2ccnc(Cl)c2)CC1 ZINC001164917455 721815505 /nfs/dbraw/zinc/81/55/05/721815505.db2.gz NXOHWUCOGLMAGB-UHFFFAOYSA-N 1 2 411.884 3.148 20 0 HGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)COc2ccnc(Cl)c2)CC1 ZINC001164917455 721815507 /nfs/dbraw/zinc/81/55/07/721815507.db2.gz NXOHWUCOGLMAGB-UHFFFAOYSA-N 1 2 411.884 3.148 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc3c(n2)-c2ccccc2CC3)CC1 ZINC001164918863 721817876 /nfs/dbraw/zinc/81/78/76/721817876.db2.gz WAAGNDXWVUKRSI-UHFFFAOYSA-N 1 2 400.530 3.188 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC001164918241 721818256 /nfs/dbraw/zinc/81/82/56/721818256.db2.gz KXESVLPKFYCTTQ-UHFFFAOYSA-N 1 2 412.538 3.375 20 0 HGADLO Cn1ccc(CN2CCOCC23CCN(c2[nH+]ccc4cc(Cl)ccc42)CC3)n1 ZINC001164933217 721904361 /nfs/dbraw/zinc/90/43/61/721904361.db2.gz JHNKUFFASPGPSJ-UHFFFAOYSA-N 1 2 411.937 3.493 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1c(Cl)ccnc1Cl)CC2 ZINC001164945835 721973277 /nfs/dbraw/zinc/97/32/77/721973277.db2.gz SSBJMJVAGLPQKP-UHFFFAOYSA-N 1 2 405.329 3.359 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1c(Cl)ccnc1Cl)CC2 ZINC001164945835 721973278 /nfs/dbraw/zinc/97/32/78/721973278.db2.gz SSBJMJVAGLPQKP-UHFFFAOYSA-N 1 2 405.329 3.359 20 0 HGADLO FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056360 722015311 /nfs/dbraw/zinc/01/53/11/722015311.db2.gz UHWZAXDTGGHBEH-UHFFFAOYSA-N 1 2 419.863 3.468 20 0 HGADLO CC(=O)N(c1nc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cs1)C1CC1 ZINC000604766235 1126100013 /nfs/dbraw/zinc/10/00/13/1126100013.db2.gz SSUISIOATYJQOX-DLBZAZTESA-N 1 2 413.465 3.283 20 0 HGADLO COc1ccccc1-c1nnc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)o1 ZINC001560100979 1126208001 /nfs/dbraw/zinc/20/80/01/1126208001.db2.gz YWTCHOXEFDYKQQ-QAPCUYQASA-N 1 2 407.392 3.369 20 0 HGADLO O=C(c1cccnc1N1C[C@@H]2CC(F)(F)[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164409271 718869770 /nfs/dbraw/zinc/86/97/70/718869770.db2.gz PBKILBVEESNVOC-ICSRJNTNSA-N 1 2 412.484 3.131 20 0 HGADLO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(C)c1 ZINC001164672140 719502120 /nfs/dbraw/zinc/50/21/20/719502120.db2.gz FOWRWHZATWBVRK-UHFFFAOYSA-N 1 2 413.493 3.187 20 0 HGADLO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(C)c1 ZINC001164672140 719502125 /nfs/dbraw/zinc/50/21/25/719502125.db2.gz FOWRWHZATWBVRK-UHFFFAOYSA-N 1 2 413.493 3.187 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(C)(C)C)nc(C(C)C)n1 ZINC001164708068 719872919 /nfs/dbraw/zinc/87/29/19/719872919.db2.gz XMTAMRHMDIQILM-GAJHUEQPSA-N 1 2 418.582 3.130 20 0 HGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(C)cc(Cl)n1 ZINC001164726151 720311351 /nfs/dbraw/zinc/31/13/51/720311351.db2.gz YCZBGDPRPYZDHX-AWEZNQCLSA-N 1 2 412.872 3.001 20 0 HGADLO FC(F)(Oc1ccc(Cl)nc1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870124 721217787 /nfs/dbraw/zinc/21/77/87/721217787.db2.gz FPIDOVNPTNIABG-UHFFFAOYSA-N 1 2 410.852 3.431 20 0 HGADLO Cc1cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c(Cl)nn1 ZINC001164876190 721220003 /nfs/dbraw/zinc/22/00/03/721220003.db2.gz ZSKXKZOHQBJHTH-UHFFFAOYSA-N 1 2 409.868 3.254 20 0 HGADLO FC(F)(Oc1ccnc(Cl)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164873514 721221743 /nfs/dbraw/zinc/22/17/43/721221743.db2.gz RTMLXASZLUZGDB-UHFFFAOYSA-N 1 2 410.852 3.431 20 0 HGADLO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)n1 ZINC001164785480 721414031 /nfs/dbraw/zinc/41/40/31/721414031.db2.gz MRQKDVKCSIQKRX-IAGOWNOFSA-N 1 2 403.983 3.356 20 0 HGADLO COc1cc(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)cc(Cl)n1 ZINC001165009260 721696207 /nfs/dbraw/zinc/69/62/07/721696207.db2.gz OIFKXSRUBQCFON-UHFFFAOYSA-N 1 2 414.888 3.131 20 0 HGADLO COc1cc(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)cc(Cl)n1 ZINC001165009260 721696210 /nfs/dbraw/zinc/69/62/10/721696210.db2.gz OIFKXSRUBQCFON-UHFFFAOYSA-N 1 2 414.888 3.131 20 0 HGADLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)cc1Cl ZINC001164914116 721791645 /nfs/dbraw/zinc/79/16/45/721791645.db2.gz BWOMQVHSTUMQME-FQEVSTJZSA-N 1 2 423.344 3.200 20 0 HGADLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)cc1Cl ZINC001164914116 721791648 /nfs/dbraw/zinc/79/16/48/721791648.db2.gz BWOMQVHSTUMQME-FQEVSTJZSA-N 1 2 423.344 3.200 20 0 HGADLO COc1ccc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)c(Cl)n1 ZINC001164916600 721815411 /nfs/dbraw/zinc/81/54/11/721815411.db2.gz FHDVUWYNCBMWIC-UHFFFAOYSA-N 1 2 411.884 3.235 20 0 HGADLO COc1ccc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)c(Cl)n1 ZINC001164916600 721815415 /nfs/dbraw/zinc/81/54/15/721815415.db2.gz FHDVUWYNCBMWIC-UHFFFAOYSA-N 1 2 411.884 3.235 20 0 HGADLO Cc1nc(CN2CCOC[C@]3(CN(c4[nH+]ccc5ccccc54)CCO3)C2)cs1 ZINC001164922915 721824190 /nfs/dbraw/zinc/82/41/90/721824190.db2.gz HIRWSFQUWUBSGO-JOCHJYFZSA-N 1 2 410.543 3.108 20 0 HGADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cs1 ZINC000604765699 1126099505 /nfs/dbraw/zinc/09/95/05/1126099505.db2.gz JZDLOLTVLCQBQL-HOTGVXAUSA-N 1 2 401.454 3.140 20 0 HGADLO COc1ccccc1-c1nnc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)o1 ZINC001560100977 1126207870 /nfs/dbraw/zinc/20/78/70/1126207870.db2.gz YWTCHOXEFDYKQQ-CRAIPNDOSA-N 1 2 407.392 3.369 20 0 HGADLO COC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncc1C ZINC001164672629 719513774 /nfs/dbraw/zinc/51/37/74/719513774.db2.gz LQVFTHPYHDMAJV-UHFFFAOYSA-N 1 2 413.493 3.187 20 0 HGADLO COC(=O)c1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncc1C ZINC001164672629 719513781 /nfs/dbraw/zinc/51/37/81/719513781.db2.gz LQVFTHPYHDMAJV-UHFFFAOYSA-N 1 2 413.493 3.187 20 0 HGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4c2ncn4C2CC2)CC3)cc1 ZINC001164673350 719524096 /nfs/dbraw/zinc/52/40/96/719524096.db2.gz PLTOOZIPXLOUJK-UHFFFAOYSA-N 1 2 422.508 3.172 20 0 HGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4c2ncn4C2CC2)CC3)cc1 ZINC001164673350 719524114 /nfs/dbraw/zinc/52/41/14/719524114.db2.gz PLTOOZIPXLOUJK-UHFFFAOYSA-N 1 2 422.508 3.172 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(C)(C)C)nc(C(C)C)n1 ZINC001164708073 719872829 /nfs/dbraw/zinc/87/28/29/719872829.db2.gz XMTAMRHMDIQILM-UZUQRXQVSA-N 1 2 418.582 3.130 20 0 HGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(C)c4Cl)CC3)C2=O)cs1 ZINC001164826507 720367036 /nfs/dbraw/zinc/36/70/36/720367036.db2.gz WMKZQRMXYNIFQQ-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(C)c4Cl)CC3)C2=O)cs1 ZINC001164826507 720367040 /nfs/dbraw/zinc/36/70/40/720367040.db2.gz WMKZQRMXYNIFQQ-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO FC(F)(c1ccnc(Cl)c1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828749 720396552 /nfs/dbraw/zinc/39/65/52/720396552.db2.gz KTVKMYDDOMLCBK-UHFFFAOYSA-N 1 2 414.247 3.180 20 0 HGADLO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164831659 720400468 /nfs/dbraw/zinc/40/04/68/720400468.db2.gz WZUFEPHSLYHJIT-UHFFFAOYSA-N 1 2 419.867 3.015 20 0 HGADLO CC[C@H]1N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CCC[C@]12CCC(=O)N2 ZINC001164842991 720748824 /nfs/dbraw/zinc/74/88/24/720748824.db2.gz GYYNWVDDBOZPLP-QPPBQGQZSA-N 1 2 405.546 3.063 20 0 HGADLO CC[C@H]1N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CCC[C@]12CCC(=O)N2 ZINC001164842991 720748831 /nfs/dbraw/zinc/74/88/31/720748831.db2.gz GYYNWVDDBOZPLP-QPPBQGQZSA-N 1 2 405.546 3.063 20 0 HGADLO Cc1nc(Cl)cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)n1 ZINC001164767742 721272442 /nfs/dbraw/zinc/27/24/42/721272442.db2.gz SMBZRSPQRFHAJR-CQSZACIVSA-N 1 2 420.851 3.290 20 0 HGADLO Nc1cc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770657 721274308 /nfs/dbraw/zinc/27/43/08/721274308.db2.gz WFWQVACLKKBTPF-CYBMUJFWSA-N 1 2 420.851 3.169 20 0 HGADLO FC(F)(Oc1ccnc(Cl)c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770699 721276734 /nfs/dbraw/zinc/27/67/34/721276734.db2.gz XASUQQDBCMGXDY-CQSZACIVSA-N 1 2 421.835 3.467 20 0 HGADLO CSc1nc(Cl)cc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781036 721393065 /nfs/dbraw/zinc/39/30/65/721393065.db2.gz AHMAVKKPRVSLSP-GHMZBOCLSA-N 1 2 417.938 3.422 20 0 HGADLO FC(F)(c1nc(Cl)cc(Cl)n1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164786554 721394123 /nfs/dbraw/zinc/39/41/23/721394123.db2.gz OEKGWYBSZGXBMK-UWVGGRQHSA-N 1 2 406.289 3.353 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccnc1C1SCCCS1)C2 ZINC001165011253 721700640 /nfs/dbraw/zinc/70/06/40/721700640.db2.gz OZSYDZYLOXEOOF-UHFFFAOYSA-N 1 2 419.624 3.187 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccnc1C1SCCCS1)C2 ZINC001165011253 721700642 /nfs/dbraw/zinc/70/06/42/721700642.db2.gz OZSYDZYLOXEOOF-UHFFFAOYSA-N 1 2 419.624 3.187 20 0 HGADLO COc1cc2c(cc1Cl)ncnc2N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010762 721705003 /nfs/dbraw/zinc/70/50/03/721705003.db2.gz MASSHZPBJPZMKA-UHFFFAOYSA-N 1 2 415.929 3.134 20 0 HGADLO COc1cc2c(cc1Cl)ncnc2N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010762 721705006 /nfs/dbraw/zinc/70/50/06/721705006.db2.gz MASSHZPBJPZMKA-UHFFFAOYSA-N 1 2 415.929 3.134 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncccc2C(=O)NC2CCCCC2)CC1 ZINC001164915885 721812975 /nfs/dbraw/zinc/81/29/75/721812975.db2.gz CZHIOTYIFUMFJT-UHFFFAOYSA-N 1 2 422.577 3.090 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3ccc(F)cc32)CC1 ZINC001164918656 721813069 /nfs/dbraw/zinc/81/30/69/721813069.db2.gz SPRNPXUIJRQUJG-UHFFFAOYSA-N 1 2 400.889 3.368 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3ccccc3nc2N2CCCC2)CC1 ZINC001164917836 721818403 /nfs/dbraw/zinc/81/84/03/721818403.db2.gz JAZMOXMXNRBTSQ-UHFFFAOYSA-N 1 2 417.561 3.176 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2c(F)ccc3c(Cl)ncnc32)CC1 ZINC001164919138 721821839 /nfs/dbraw/zinc/82/18/39/721821839.db2.gz NLNWTHOJIATZMA-UHFFFAOYSA-N 1 2 400.889 3.368 20 0 HGADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc5ccccc5c[nH+]4)CCO3)C2)cs1 ZINC001164924155 721824773 /nfs/dbraw/zinc/82/47/73/721824773.db2.gz MMJVIBQXRUWLNN-JOCHJYFZSA-N 1 2 410.543 3.108 20 0 HGADLO Cc1nc(CN2CCOC[C@]3(CN(c4[nH+]c(C)cc(Cl)c4C)CCO3)C2)cs1 ZINC001164920082 721829074 /nfs/dbraw/zinc/82/90/74/721829074.db2.gz ACBWVEXVWFQEDJ-HXUWFJFHSA-N 1 2 422.982 3.225 20 0 HGADLO CCSc1cc[nH+]c(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)c1 ZINC001164925138 721833627 /nfs/dbraw/zinc/83/36/27/721833627.db2.gz NYCMNIDEYJYLHE-FQEVSTJZSA-N 1 2 420.604 3.066 20 0 HGADLO Cc1nc(CN2CCOC[C@]3(CN(c4ccc(C(C)(C)C)c[nH+]4)CCO3)C2)cs1 ZINC001164927210 721834480 /nfs/dbraw/zinc/83/44/80/721834480.db2.gz SUWYQXLGGJTIPT-JOCHJYFZSA-N 1 2 416.591 3.252 20 0 HGADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165036452 721916541 /nfs/dbraw/zinc/91/65/41/721916541.db2.gz CQVOONPWRPUURJ-HNNXBMFYSA-N 1 2 409.868 3.038 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc3nccc(Cl)c3cn1)CC2 ZINC001164943663 721973095 /nfs/dbraw/zinc/97/30/95/721973095.db2.gz BGIUWNMEVSRLGI-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc3nccc(Cl)c3cn1)CC2 ZINC001164943663 721973096 /nfs/dbraw/zinc/97/30/96/721973096.db2.gz BGIUWNMEVSRLGI-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN([C@@H](F)c1ccnc(Cl)c1)CC2 ZINC001164944147 721973998 /nfs/dbraw/zinc/97/39/98/721973998.db2.gz HCNTZXFFNVPEMT-LJQANCHMSA-N 1 2 402.901 3.170 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN([C@@H](F)c1ccnc(Cl)c1)CC2 ZINC001164944147 721973999 /nfs/dbraw/zinc/97/39/99/721973999.db2.gz HCNTZXFFNVPEMT-LJQANCHMSA-N 1 2 402.901 3.170 20 0 HGADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H](NC(=O)c2cscn2)[C@H]2OCCC[C@@H]21 ZINC001164952216 722002076 /nfs/dbraw/zinc/00/20/76/722002076.db2.gz QLQDALUJKJPIRJ-JLJPHGGASA-N 1 2 406.939 3.088 20 0 HGADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H](NC(=O)c2cscn2)[C@H]2OCCC[C@@H]21 ZINC001164952216 722002079 /nfs/dbraw/zinc/00/20/79/722002079.db2.gz QLQDALUJKJPIRJ-JLJPHGGASA-N 1 2 406.939 3.088 20 0 HGADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001164952222 722002192 /nfs/dbraw/zinc/00/21/92/722002192.db2.gz QLQDALUJKJPIRJ-QRTARXTBSA-N 1 2 406.939 3.088 20 0 HGADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1C[C@H](NC(=O)c2cscn2)[C@@H]2OCCC[C@@H]21 ZINC001164952222 722002194 /nfs/dbraw/zinc/00/21/94/722002194.db2.gz QLQDALUJKJPIRJ-QRTARXTBSA-N 1 2 406.939 3.088 20 0 HGADLO O=C1Nc2ccccc2[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]12 ZINC001164401284 718855808 /nfs/dbraw/zinc/85/58/08/718855808.db2.gz AIYYCHAAAAIQQY-VQTJNVASSA-N 1 2 411.509 3.207 20 0 HGADLO O=C1Nc2ccccc2[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]12 ZINC001164401284 718855810 /nfs/dbraw/zinc/85/58/10/718855810.db2.gz AIYYCHAAAAIQQY-VQTJNVASSA-N 1 2 411.509 3.207 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(OC)n1)CC2 ZINC001164663559 719346141 /nfs/dbraw/zinc/34/61/41/719346141.db2.gz KQHVLANHHLCNEA-UHFFFAOYSA-N 1 2 404.518 3.180 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(OC)n1)CC2 ZINC001164663559 719346143 /nfs/dbraw/zinc/34/61/43/719346143.db2.gz KQHVLANHHLCNEA-UHFFFAOYSA-N 1 2 404.518 3.180 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(OC)n1)CC2 ZINC001164664142 719350361 /nfs/dbraw/zinc/35/03/61/719350361.db2.gz SGMMGOFLEZEUPC-UHFFFAOYSA-N 1 2 418.545 3.488 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(OC)n1)CC2 ZINC001164664142 719350366 /nfs/dbraw/zinc/35/03/66/719350366.db2.gz SGMMGOFLEZEUPC-UHFFFAOYSA-N 1 2 418.545 3.488 20 0 HGADLO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164678289 719565749 /nfs/dbraw/zinc/56/57/49/719565749.db2.gz WPZOEOKZZUXUJR-UHFFFAOYSA-N 1 2 415.231 3.210 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)ncc(Cl)c1Cl ZINC001164702508 719856570 /nfs/dbraw/zinc/85/65/70/719856570.db2.gz NMPBFFQPMKPCPD-DIFFPNOSSA-N 1 2 422.740 3.275 20 0 HGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1cccc(Cl)n1 ZINC001164724095 720312470 /nfs/dbraw/zinc/31/24/70/720312470.db2.gz QJPYTFMVRZEVAS-CQSZACIVSA-N 1 2 413.856 3.177 20 0 HGADLO CC[C@@H]1N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CCC[C@]12CCC(=O)N2 ZINC001164842993 720749099 /nfs/dbraw/zinc/74/90/99/720749099.db2.gz GYYNWVDDBOZPLP-URXFXBBRSA-N 1 2 405.546 3.063 20 0 HGADLO CC[C@@H]1N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CCC[C@]12CCC(=O)N2 ZINC001164842993 720749109 /nfs/dbraw/zinc/74/91/09/720749109.db2.gz GYYNWVDDBOZPLP-URXFXBBRSA-N 1 2 405.546 3.063 20 0 HGADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164755634 720980483 /nfs/dbraw/zinc/98/04/83/720980483.db2.gz BGZNFZOQIFVYKL-CQSZACIVSA-N 1 2 423.895 3.423 20 0 HGADLO Nc1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)c1 ZINC001164768978 721274290 /nfs/dbraw/zinc/27/42/90/721274290.db2.gz MSLOTRUTRHEMAY-CYBMUJFWSA-N 1 2 420.851 3.169 20 0 HGADLO F[C@@H](Oc1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767996 721274648 /nfs/dbraw/zinc/27/46/48/721274648.db2.gz IPFWUUKMZMQCES-IFXJQAMLSA-N 1 2 403.845 3.169 20 0 HGADLO COc1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c(Cl)n1 ZINC001164782335 721408767 /nfs/dbraw/zinc/40/87/67/721408767.db2.gz FRWTTYXKFMNHON-TXEJJXNPSA-N 1 2 400.882 3.313 20 0 HGADLO COc1ccc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c(Cl)n1 ZINC001164782335 721408770 /nfs/dbraw/zinc/40/87/70/721408770.db2.gz FRWTTYXKFMNHON-TXEJJXNPSA-N 1 2 400.882 3.313 20 0 HGADLO CC(C)C(=O)N1CC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@H]21 ZINC001164894783 721463039 /nfs/dbraw/zinc/46/30/39/721463039.db2.gz YPXDJPLWHCTRIV-NZQKXSOJSA-N 1 2 419.573 3.118 20 0 HGADLO CC(C)C(=O)N1CC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@H]21 ZINC001164894783 721463042 /nfs/dbraw/zinc/46/30/42/721463042.db2.gz YPXDJPLWHCTRIV-NZQKXSOJSA-N 1 2 419.573 3.118 20 0 HGADLO CCc1cc2c(nc(Cl)nc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)[nH]1 ZINC001165009682 721711894 /nfs/dbraw/zinc/71/18/94/721711894.db2.gz VGNKEPIHCZMRDZ-UHFFFAOYSA-N 1 2 402.934 3.016 20 0 HGADLO CCc1cc2c(nc(Cl)nc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)[nH]1 ZINC001165009682 721711895 /nfs/dbraw/zinc/71/18/95/721711895.db2.gz VGNKEPIHCZMRDZ-UHFFFAOYSA-N 1 2 402.934 3.016 20 0 HGADLO Cc1cc(OCc2ccccc2)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165011803 721718437 /nfs/dbraw/zinc/71/84/37/721718437.db2.gz VGCJYZKKPJPLMM-UHFFFAOYSA-N 1 2 421.549 3.206 20 0 HGADLO Cc1cc(OCc2ccccc2)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165011803 721718441 /nfs/dbraw/zinc/71/84/41/721718441.db2.gz VGCJYZKKPJPLMM-UHFFFAOYSA-N 1 2 421.549 3.206 20 0 HGADLO Cc1cc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910811 721775071 /nfs/dbraw/zinc/77/50/71/721775071.db2.gz CLUKZYKQHXYDDV-DEOSSOPVSA-N 1 2 404.514 3.046 20 0 HGADLO Cc1cc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910811 721775074 /nfs/dbraw/zinc/77/50/74/721775074.db2.gz CLUKZYKQHXYDDV-DEOSSOPVSA-N 1 2 404.514 3.046 20 0 HGADLO Clc1ccc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164917144 721788503 /nfs/dbraw/zinc/78/85/03/721788503.db2.gz XELDOEJHHCQAEO-QHCPKHFHSA-N 1 2 424.932 3.391 20 0 HGADLO Clc1ccc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164917144 721788506 /nfs/dbraw/zinc/78/85/06/721788506.db2.gz XELDOEJHHCQAEO-QHCPKHFHSA-N 1 2 424.932 3.391 20 0 HGADLO COc1ccc2nc(Cl)cc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)c2n1 ZINC001164917377 721816324 /nfs/dbraw/zinc/81/63/24/721816324.db2.gz LQLSLZPIZZMUQU-UHFFFAOYSA-N 1 2 412.925 3.238 20 0 HGADLO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045443 721958559 /nfs/dbraw/zinc/95/85/59/721958559.db2.gz UKIBDAZLTLNUPY-UHFFFAOYSA-N 1 2 400.882 3.165 20 0 HGADLO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460872257 1126193470 /nfs/dbraw/zinc/19/34/70/1126193470.db2.gz UZPONSWRMWRBST-HXUWFJFHSA-N 1 2 400.479 3.013 20 0 HGADLO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@](C)(CO)Cc3ccccc3F)s2)cc1 ZINC001473840116 1126200427 /nfs/dbraw/zinc/20/04/27/1126200427.db2.gz QUNLHCNRZBXABG-NRFANRHFSA-N 1 2 414.506 3.321 20 0 HGADLO C[C@@H]1CN(c2ccc(CNc3cc(-c4ccccc4)nc4ncnn43)c[nH+]2)C[C@@H](C)O1 ZINC000095356612 568601663 /nfs/dbraw/zinc/60/16/63/568601663.db2.gz OXJHGGSKFOSCSH-IAGOWNOFSA-N 1 2 415.501 3.412 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)nc(C)n1)CC2 ZINC001164663869 719349740 /nfs/dbraw/zinc/34/97/40/719349740.db2.gz OCQSBBVVZLCAKZ-UHFFFAOYSA-N 1 2 418.545 3.488 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)nc(C)n1)CC2 ZINC001164663869 719349742 /nfs/dbraw/zinc/34/97/42/719349742.db2.gz OCQSBBVVZLCAKZ-UHFFFAOYSA-N 1 2 418.545 3.488 20 0 HGADLO Cc1c[nH+]c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1NC1CC1 ZINC001164665689 719491775 /nfs/dbraw/zinc/49/17/75/719491775.db2.gz AYIPSLIWPWNWKW-UHFFFAOYSA-N 1 2 411.525 3.370 20 0 HGADLO CCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164666851 719494512 /nfs/dbraw/zinc/49/45/12/719494512.db2.gz GRLLFYPVDRRGNV-UHFFFAOYSA-N 1 2 413.493 3.269 20 0 HGADLO CCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164666851 719494525 /nfs/dbraw/zinc/49/45/25/719494525.db2.gz GRLLFYPVDRRGNV-UHFFFAOYSA-N 1 2 413.493 3.269 20 0 HGADLO COc1nc(Cl)nc(C)c1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673217 719507593 /nfs/dbraw/zinc/50/75/93/719507593.db2.gz PUXIPYKWRFGIRL-UHFFFAOYSA-N 1 2 420.916 3.458 20 0 HGADLO COc1nc(Cl)nc(C)c1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673217 719507601 /nfs/dbraw/zinc/50/76/01/719507601.db2.gz PUXIPYKWRFGIRL-UHFFFAOYSA-N 1 2 420.916 3.458 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)cc(Cl)nc1Cl ZINC001164701635 719846652 /nfs/dbraw/zinc/84/66/52/719846652.db2.gz MRXFJZMDRSAHSP-GTNSWQLSSA-N 1 2 422.740 3.275 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)c2ccc(Cl)cc2n1 ZINC001164701531 719860663 /nfs/dbraw/zinc/86/06/63/719860663.db2.gz LBGHDNVKUGGYGN-VGOFRKELSA-N 1 2 417.937 3.429 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)c2ccc(C)c(C)c2n1 ZINC001164699835 719870411 /nfs/dbraw/zinc/87/04/11/719870411.db2.gz BTOYHWYNFHQOOB-CYFREDJKSA-N 1 2 411.546 3.393 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(C)C)nc(C(C)(C)C)n1 ZINC001164705711 719873011 /nfs/dbraw/zinc/87/30/11/719873011.db2.gz OAPJABBCOLVVRD-SBUREZEXSA-N 1 2 418.582 3.130 20 0 HGADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164704429 719876798 /nfs/dbraw/zinc/87/67/98/719876798.db2.gz LXPJOMPVGMGKQB-PXARDIRTSA-N 1 2 424.973 3.185 20 0 HGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccnc(Cl)c1F ZINC001164721120 720311074 /nfs/dbraw/zinc/31/10/74/720311074.db2.gz FHTNFBMIDTZVKS-CQSZACIVSA-N 1 2 415.847 3.436 20 0 HGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(C)cc(Cl)n1 ZINC001164726152 720311649 /nfs/dbraw/zinc/31/16/49/720311649.db2.gz YCZBGDPRPYZDHX-CQSZACIVSA-N 1 2 412.872 3.001 20 0 HGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1cccnc1Cl ZINC001164723418 720313106 /nfs/dbraw/zinc/31/31/06/720313106.db2.gz ORLIBYXVMVCMHN-AWEZNQCLSA-N 1 2 413.856 3.177 20 0 HGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(F)c1 ZINC001164723390 720313973 /nfs/dbraw/zinc/31/39/73/720313973.db2.gz OKWWLZLJLXFPJB-OAHLLOKOSA-N 1 2 415.847 3.436 20 0 HGADLO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828114 720396651 /nfs/dbraw/zinc/39/66/51/720396651.db2.gz HWSPPGRDIRPULU-UHFFFAOYSA-N 1 2 414.247 3.180 20 0 HGADLO FC(F)(N1CCCn2nnc(Cn3cc[nH+]c3)c2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164829548 720398737 /nfs/dbraw/zinc/39/87/37/720398737.db2.gz NBASOXXWJKGDPA-UHFFFAOYSA-N 1 2 419.867 3.102 20 0 HGADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782748 721427943 /nfs/dbraw/zinc/42/79/43/721427943.db2.gz HRORBYMWOARIMB-TXEJJXNPSA-N 1 2 411.909 3.188 20 0 HGADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782748 721427946 /nfs/dbraw/zinc/42/79/46/721427946.db2.gz HRORBYMWOARIMB-TXEJJXNPSA-N 1 2 411.909 3.188 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001165007883 721694636 /nfs/dbraw/zinc/69/46/36/721694636.db2.gz GGQHUQWNLUSNIY-UHFFFAOYSA-N 1 2 420.295 3.170 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001165007883 721694637 /nfs/dbraw/zinc/69/46/37/721694637.db2.gz GGQHUQWNLUSNIY-UHFFFAOYSA-N 1 2 420.295 3.170 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3cc(F)c(F)cc3nc1Cl)C2 ZINC001165009800 721701640 /nfs/dbraw/zinc/70/16/40/721701640.db2.gz DSYGICIVJIKQRR-UHFFFAOYSA-N 1 2 421.883 3.403 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3cc(F)c(F)cc3nc1Cl)C2 ZINC001165009800 721701644 /nfs/dbraw/zinc/70/16/44/721701644.db2.gz DSYGICIVJIKQRR-UHFFFAOYSA-N 1 2 421.883 3.403 20 0 HGADLO CCOC(=O)c1cc(Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1C ZINC001165010261 721704003 /nfs/dbraw/zinc/70/40/03/721704003.db2.gz GGAPHTGKCIXZNN-UHFFFAOYSA-N 1 2 420.945 3.062 20 0 HGADLO CCOC(=O)c1cc(Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1C ZINC001165010261 721704005 /nfs/dbraw/zinc/70/40/05/721704005.db2.gz GGAPHTGKCIXZNN-UHFFFAOYSA-N 1 2 420.945 3.062 20 0 HGADLO Cc1nc(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc(Cl)c1C ZINC001165008322 721707438 /nfs/dbraw/zinc/70/74/38/721707438.db2.gz DZECFWBRGKEIPL-UHFFFAOYSA-N 1 2 413.904 3.134 20 0 HGADLO Cc1nc(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc(Cl)c1C ZINC001165008322 721707440 /nfs/dbraw/zinc/70/74/40/721707440.db2.gz DZECFWBRGKEIPL-UHFFFAOYSA-N 1 2 413.904 3.134 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc3c(n1)-c1ccccc1CC3)C2 ZINC001165009427 721709478 /nfs/dbraw/zinc/70/94/78/721709478.db2.gz UFNCVXZASWPUFR-UHFFFAOYSA-N 1 2 403.534 3.084 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc3c(n1)-c1ccccc1CC3)C2 ZINC001165009427 721709480 /nfs/dbraw/zinc/70/94/80/721709480.db2.gz UFNCVXZASWPUFR-UHFFFAOYSA-N 1 2 403.534 3.084 20 0 HGADLO Cc1nc(C)c(-c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)s1 ZINC001165010338 721718533 /nfs/dbraw/zinc/71/85/33/721718533.db2.gz GIDGHFLEIUEREM-UHFFFAOYSA-N 1 2 412.567 3.059 20 0 HGADLO Cc1nc(C)c(-c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)s1 ZINC001165010338 721718535 /nfs/dbraw/zinc/71/85/35/721718535.db2.gz GIDGHFLEIUEREM-UHFFFAOYSA-N 1 2 412.567 3.059 20 0 HGADLO COc1ccc(CN2C(=O)CO[C@H]3C[N@H+](C(C)(C)c4ccnc(Cl)c4)C[C@H]32)cc1 ZINC001165023312 721797325 /nfs/dbraw/zinc/79/73/25/721797325.db2.gz JGDQHTUKGPVNHQ-MOPGFXCFSA-N 1 2 415.921 3.091 20 0 HGADLO COc1ccc(CN2C(=O)CO[C@H]3C[N@@H+](C(C)(C)c4ccnc(Cl)c4)C[C@H]32)cc1 ZINC001165023312 721797326 /nfs/dbraw/zinc/79/73/26/721797326.db2.gz JGDQHTUKGPVNHQ-MOPGFXCFSA-N 1 2 415.921 3.091 20 0 HGADLO COc1ccc(CN2C(=O)CO[C@@H]3C[N@H+](C(C)(C)c4ccnc(Cl)c4)C[C@@H]32)cc1 ZINC001165023314 721797445 /nfs/dbraw/zinc/79/74/45/721797445.db2.gz JGDQHTUKGPVNHQ-RBUKOAKNSA-N 1 2 415.921 3.091 20 0 HGADLO COc1ccc(CN2C(=O)CO[C@@H]3C[N@@H+](C(C)(C)c4ccnc(Cl)c4)C[C@@H]32)cc1 ZINC001165023314 721797447 /nfs/dbraw/zinc/79/74/47/721797447.db2.gz JGDQHTUKGPVNHQ-RBUKOAKNSA-N 1 2 415.921 3.091 20 0 HGADLO COc1cc2c(cc1Cl)ncnc2N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917459 721815683 /nfs/dbraw/zinc/81/56/83/721815683.db2.gz ONZVTUBCCRHSJF-UHFFFAOYSA-N 1 2 412.925 3.238 20 0 HGADLO Clc1nnc(Cl)c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1N1CCCCC1 ZINC001165044959 721926763 /nfs/dbraw/zinc/92/67/63/721926763.db2.gz XLPDTVQLXBCUPJ-CQSZACIVSA-N 1 2 400.354 3.075 20 0 HGADLO Clc1nnc(Cl)c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1N1CCCCC1 ZINC001165044955 721926933 /nfs/dbraw/zinc/92/69/33/721926933.db2.gz XLPDTVQLXBCUPJ-AWEZNQCLSA-N 1 2 400.354 3.075 20 0 HGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(NC(C)C)c(C)c[nH+]4)CC[C@H]32)cs1 ZINC001164984827 722173434 /nfs/dbraw/zinc/17/34/34/722173434.db2.gz GCUMLUMFQNKLQJ-RTBURBONSA-N 1 2 416.595 3.240 20 0 HGADLO COc1ccc2c(cc[nH+]c2N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1 ZINC001165004202 722262227 /nfs/dbraw/zinc/26/22/27/722262227.db2.gz OFFAOROQBIIHHQ-XMMPIXPASA-N 1 2 420.488 3.310 20 0 HGADLO COC(=O)c1cc(C)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673956 719515738 /nfs/dbraw/zinc/51/57/38/719515738.db2.gz VNTUMURWTFYMIS-UHFFFAOYSA-N 1 2 413.493 3.187 20 0 HGADLO COC(=O)c1cc(C)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673956 719515746 /nfs/dbraw/zinc/51/57/46/719515746.db2.gz VNTUMURWTFYMIS-UHFFFAOYSA-N 1 2 413.493 3.187 20 0 HGADLO COc1ncc(Cl)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164679102 719528775 /nfs/dbraw/zinc/52/87/75/719528775.db2.gz SEWNNRAJBKXZMI-UHFFFAOYSA-N 1 2 406.889 3.149 20 0 HGADLO COc1ncc(Cl)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164679102 719528785 /nfs/dbraw/zinc/52/87/85/719528785.db2.gz SEWNNRAJBKXZMI-UHFFFAOYSA-N 1 2 406.889 3.149 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)cc(Cl)nc1Cl ZINC001164701633 719846805 /nfs/dbraw/zinc/84/68/05/719846805.db2.gz MRXFJZMDRSAHSP-APPDUMDISA-N 1 2 422.740 3.275 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C2CCCCC2)nc(C)n1 ZINC001164706526 719865699 /nfs/dbraw/zinc/86/56/99/719865699.db2.gz PTDXKRNRPRDMKP-CVDCTZTESA-N 1 2 416.566 3.065 20 0 HGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1ccnc(Cl)c1 ZINC001164726487 720317475 /nfs/dbraw/zinc/31/74/75/720317475.db2.gz ZUXACNYDHCJJSK-OAHLLOKOSA-N 1 2 413.856 3.177 20 0 HGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)ccc4C)CC3)C2=O)cs1 ZINC001164826489 720358531 /nfs/dbraw/zinc/35/85/31/720358531.db2.gz WBAXQOWIUANAJR-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)ccc4C)CC3)C2=O)cs1 ZINC001164826489 720358535 /nfs/dbraw/zinc/35/85/35/720358535.db2.gz WBAXQOWIUANAJR-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758014 720978491 /nfs/dbraw/zinc/97/84/91/720978491.db2.gz RWSYZISBVRLQSB-GFCCVEGCSA-N 1 2 415.897 3.223 20 0 HGADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164755632 720979430 /nfs/dbraw/zinc/97/94/30/720979430.db2.gz BGZNFZOQIFVYKL-AWEZNQCLSA-N 1 2 423.895 3.423 20 0 HGADLO Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(C(C)C)c[nH+]4)CCO3)C2)cs1 ZINC001164921338 721828715 /nfs/dbraw/zinc/82/87/15/721828715.db2.gz JUAOVVSMABOIIS-NRFANRHFSA-N 1 2 402.564 3.078 20 0 HGADLO COC(=O)CCN(Cc1ccco1)c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001165050888 721982273 /nfs/dbraw/zinc/98/22/73/721982273.db2.gz XSNYJJDYRDDBMS-UHFFFAOYSA-N 1 2 406.486 3.198 20 0 HGADLO COC(=O)CCN(Cc1ccco1)c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001165050888 721982275 /nfs/dbraw/zinc/98/22/75/721982275.db2.gz XSNYJJDYRDDBMS-UHFFFAOYSA-N 1 2 406.486 3.198 20 0 HGADLO COc1ccccc1-c1nnc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)o1 ZINC001560100980 1126207930 /nfs/dbraw/zinc/20/79/30/1126207930.db2.gz YWTCHOXEFDYKQQ-YJBOKZPZSA-N 1 2 407.392 3.369 20 0 HGADLO COc1nc(Cl)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164665796 719494391 /nfs/dbraw/zinc/49/43/91/719494391.db2.gz BMSSWSRTOCZQPI-UHFFFAOYSA-N 1 2 406.889 3.149 20 0 HGADLO COc1nc(Cl)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164665796 719494406 /nfs/dbraw/zinc/49/44/06/719494406.db2.gz BMSSWSRTOCZQPI-UHFFFAOYSA-N 1 2 406.889 3.149 20 0 HGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4c2COC4)CC3)cc1 ZINC001164674500 719501629 /nfs/dbraw/zinc/50/16/29/719501629.db2.gz YNIKLIGIWGGVHF-UHFFFAOYSA-N 1 2 418.900 3.171 20 0 HGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4c2COC4)CC3)cc1 ZINC001164674500 719501636 /nfs/dbraw/zinc/50/16/36/719501636.db2.gz YNIKLIGIWGGVHF-UHFFFAOYSA-N 1 2 418.900 3.171 20 0 HGADLO FC(F)(c1cnc(Cl)nc1Cl)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676885 719562574 /nfs/dbraw/zinc/56/25/74/719562574.db2.gz HWUQYMLKGGDHCG-UHFFFAOYSA-N 1 2 401.204 3.124 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(Cl)c(C)c2n1 ZINC001164699855 719863984 /nfs/dbraw/zinc/86/39/84/719863984.db2.gz CFBOULKSNNYDDX-VGOFRKELSA-N 1 2 417.937 3.429 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)c2ccc(C)c(C)c2n1 ZINC001164699836 719870507 /nfs/dbraw/zinc/87/05/07/719870507.db2.gz BTOYHWYNFHQOOB-DVECYGJZSA-N 1 2 411.546 3.393 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(C)C)nc(C(C)(C)C)n1 ZINC001164705709 719872845 /nfs/dbraw/zinc/87/28/45/719872845.db2.gz OAPJABBCOLVVRD-GAJHUEQPSA-N 1 2 418.582 3.130 20 0 HGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc(F)c(Cl)n1 ZINC001164721320 720312499 /nfs/dbraw/zinc/31/24/99/720312499.db2.gz FWKKKMLNHDIFLH-AWEZNQCLSA-N 1 2 415.847 3.436 20 0 HGADLO FC(F)(COc1cccc(Cl)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871787 721219113 /nfs/dbraw/zinc/21/91/13/721219113.db2.gz LOBQHNMJXPOQBR-UHFFFAOYSA-N 1 2 424.879 3.473 20 0 HGADLO Nc1cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cnc1Cl ZINC001164875033 721219524 /nfs/dbraw/zinc/21/95/24/721219524.db2.gz VKFQHSYZIKFGND-UHFFFAOYSA-N 1 2 409.868 3.133 20 0 HGADLO FC(F)(Oc1ccc(Cl)nc1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164764671 721273000 /nfs/dbraw/zinc/27/30/00/721273000.db2.gz HUALWXJPJLHXGI-AWEZNQCLSA-N 1 2 421.835 3.467 20 0 HGADLO CC(C)C(=O)N1CC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]21 ZINC001164894788 721463163 /nfs/dbraw/zinc/46/31/63/721463163.db2.gz YPXDJPLWHCTRIV-REWPJTCUSA-N 1 2 419.573 3.118 20 0 HGADLO CC(C)C(=O)N1CC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]21 ZINC001164894788 721463167 /nfs/dbraw/zinc/46/31/67/721463167.db2.gz YPXDJPLWHCTRIV-REWPJTCUSA-N 1 2 419.573 3.118 20 0 HGADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010382 721700629 /nfs/dbraw/zinc/70/06/29/721700629.db2.gz HUYCZAWTCFBSEM-UHFFFAOYSA-N 1 2 420.945 3.062 20 0 HGADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010382 721700631 /nfs/dbraw/zinc/70/06/31/721700631.db2.gz HUYCZAWTCFBSEM-UHFFFAOYSA-N 1 2 420.945 3.062 20 0 HGADLO Cc1cc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910828 721775461 /nfs/dbraw/zinc/77/54/61/721775461.db2.gz CLUKZYKQHXYDDV-XMMPIXPASA-N 1 2 404.514 3.046 20 0 HGADLO Cc1cc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910828 721775463 /nfs/dbraw/zinc/77/54/63/721775463.db2.gz CLUKZYKQHXYDDV-XMMPIXPASA-N 1 2 404.514 3.046 20 0 HGADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918000 721814549 /nfs/dbraw/zinc/81/45/49/721814549.db2.gz UFKCGWHPSKEFPG-UHFFFAOYSA-N 1 2 417.941 3.166 20 0 HGADLO COc1cc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)[nH+]c2ccccc21 ZINC001165006767 722266466 /nfs/dbraw/zinc/26/64/66/722266466.db2.gz MVTOLMJMOOLAEI-DEOSSOPVSA-N 1 2 420.488 3.310 20 0 HGADLO CCN(C(C)=O)c1nc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cs1 ZINC000604765700 1126099508 /nfs/dbraw/zinc/09/95/08/1126099508.db2.gz JZDLOLTVLCQBQL-HZPDHXFCSA-N 1 2 401.454 3.140 20 0 HGADLO Cc1noc(-c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2)n1 ZINC001164673926 719522845 /nfs/dbraw/zinc/52/28/45/719522845.db2.gz TYAWHBMHMWOKGG-UHFFFAOYSA-N 1 2 423.492 3.451 20 0 HGADLO Cc1noc(-c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2)n1 ZINC001164673926 719522858 /nfs/dbraw/zinc/52/28/58/719522858.db2.gz TYAWHBMHMWOKGG-UHFFFAOYSA-N 1 2 423.492 3.451 20 0 HGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(C)nnc1Cl ZINC001164720832 720316549 /nfs/dbraw/zinc/31/65/49/720316549.db2.gz AUBZJGSYHJRGKK-HNNXBMFYSA-N 1 2 412.872 3.001 20 0 HGADLO FC(F)(c1cc(Cl)ncc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828621 720396981 /nfs/dbraw/zinc/39/69/81/720396981.db2.gz JKSOKBIGFRUQDY-UHFFFAOYSA-N 1 2 414.247 3.180 20 0 HGADLO F[C@H](Oc1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767999 721274075 /nfs/dbraw/zinc/27/40/75/721274075.db2.gz IPFWUUKMZMQCES-KUHUBIRLSA-N 1 2 403.845 3.169 20 0 HGADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164782747 721428255 /nfs/dbraw/zinc/42/82/55/721428255.db2.gz HRORBYMWOARIMB-RYUDHWBXSA-N 1 2 411.909 3.188 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)C2 ZINC001165008931 721711248 /nfs/dbraw/zinc/71/12/48/721711248.db2.gz LRVKZWQJEAJZMT-UHFFFAOYSA-N 1 2 424.553 3.271 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)C2 ZINC001165008931 721711256 /nfs/dbraw/zinc/71/12/56/721711256.db2.gz LRVKZWQJEAJZMT-UHFFFAOYSA-N 1 2 424.553 3.271 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c(Cl)nccc31)C2 ZINC001165008180 721713260 /nfs/dbraw/zinc/71/32/60/721713260.db2.gz CCXKFLMZZDYMNM-UHFFFAOYSA-N 1 2 421.336 3.174 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c(Cl)nccc31)C2 ZINC001165008180 721713267 /nfs/dbraw/zinc/71/32/67/721713267.db2.gz CCXKFLMZZDYMNM-UHFFFAOYSA-N 1 2 421.336 3.174 20 0 HGADLO CCOc1ccc(-c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)cc1 ZINC001165008283 721717316 /nfs/dbraw/zinc/71/73/16/721717316.db2.gz DNCWIKRNUGGJKD-UHFFFAOYSA-N 1 2 421.549 3.384 20 0 HGADLO CCOc1ccc(-c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)cc1 ZINC001165008283 721717319 /nfs/dbraw/zinc/71/73/19/721717319.db2.gz DNCWIKRNUGGJKD-UHFFFAOYSA-N 1 2 421.549 3.384 20 0 HGADLO c1ccc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)cc1 ZINC001164913570 721774921 /nfs/dbraw/zinc/77/49/21/721774921.db2.gz XRXLSBYBOUUVEJ-RUZDIDTESA-N 1 2 416.525 3.251 20 0 HGADLO c1ccc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)cc1 ZINC001164913570 721774923 /nfs/dbraw/zinc/77/49/23/721774923.db2.gz XRXLSBYBOUUVEJ-RUZDIDTESA-N 1 2 416.525 3.251 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c2CCCCC3)CC1 ZINC001164917301 721814848 /nfs/dbraw/zinc/81/48/48/721814848.db2.gz KTQMHEILAZXYDD-UHFFFAOYSA-N 1 2 400.958 3.345 20 0 HGADLO COc1ccc(-c2cc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)ncn2)cc1 ZINC001164917822 721819701 /nfs/dbraw/zinc/81/97/01/721819701.db2.gz IMQRGTHKZIPAQX-UHFFFAOYSA-N 1 2 404.518 3.098 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C)cc(OCc3ccccc3)n2)CC1 ZINC001164919282 721820812 /nfs/dbraw/zinc/82/08/12/721820812.db2.gz OVWCOTPUBAOIFN-UHFFFAOYSA-N 1 2 418.545 3.310 20 0 HGADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044038 721958868 /nfs/dbraw/zinc/95/88/68/721958868.db2.gz DBZOWGHYGPUZLF-UHFFFAOYSA-N 1 2 419.863 3.424 20 0 HGADLO CCOc1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164945001 721973245 /nfs/dbraw/zinc/97/32/45/721973245.db2.gz MLBYYUAYKKAZPX-UHFFFAOYSA-N 1 2 414.937 3.105 20 0 HGADLO CCOc1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164945001 721973247 /nfs/dbraw/zinc/97/32/47/721973247.db2.gz MLBYYUAYKKAZPX-UHFFFAOYSA-N 1 2 414.937 3.105 20 0 HGADLO C[C@H]1CN(c2ccc(CNc3cc(-c4ccccc4)nc4ncnn43)c[nH+]2)C[C@H](C)O1 ZINC000095356609 568601438 /nfs/dbraw/zinc/60/14/38/568601438.db2.gz OXJHGGSKFOSCSH-IRXDYDNUSA-N 1 2 415.501 3.412 20 0 HGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cncc(N4CCCC4)n2)CC3)cc1 ZINC001164671692 719516830 /nfs/dbraw/zinc/51/68/30/719516830.db2.gz HLQCMXDHNWOXPQ-UHFFFAOYSA-N 1 2 411.525 3.087 20 0 HGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cncc(N4CCCC4)n2)CC3)cc1 ZINC001164671692 719516838 /nfs/dbraw/zinc/51/68/38/719516838.db2.gz HLQCMXDHNWOXPQ-UHFFFAOYSA-N 1 2 411.525 3.087 20 0 HGADLO CC(C)Oc1nccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164677888 719527635 /nfs/dbraw/zinc/52/76/35/719527635.db2.gz HYJDWCMTSITUDF-UHFFFAOYSA-N 1 2 400.498 3.274 20 0 HGADLO CC(C)Oc1nccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164677888 719527652 /nfs/dbraw/zinc/52/76/52/719527652.db2.gz HYJDWCMTSITUDF-UHFFFAOYSA-N 1 2 400.498 3.274 20 0 HGADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164704428 719876670 /nfs/dbraw/zinc/87/66/70/719876670.db2.gz LXPJOMPVGMGKQB-HTZUNMPGSA-N 1 2 424.973 3.185 20 0 HGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(C)nnc1Cl ZINC001164720833 720315988 /nfs/dbraw/zinc/31/59/88/720315988.db2.gz AUBZJGSYHJRGKK-OAHLLOKOSA-N 1 2 412.872 3.001 20 0 HGADLO FC(F)(c1cc(Cl)cnc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164831554 720396997 /nfs/dbraw/zinc/39/69/97/720396997.db2.gz WMABJGOEMIPRAQ-UHFFFAOYSA-N 1 2 414.247 3.180 20 0 HGADLO FC(F)(COc1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164756766 720978104 /nfs/dbraw/zinc/97/81/04/720978104.db2.gz KOQICYSGVPZDMI-OAHLLOKOSA-N 1 2 412.868 3.462 20 0 HGADLO F[C@H](Oc1cccc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164768002 721273977 /nfs/dbraw/zinc/27/39/77/721273977.db2.gz IPFWUUKMZMQCES-LIRRHRJNSA-N 1 2 403.845 3.169 20 0 HGADLO F[C@H](Oc1ccc(Cl)nc1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164769089 721274496 /nfs/dbraw/zinc/27/44/96/721274496.db2.gz OGRTYMQKKXYFJR-LIRRHRJNSA-N 1 2 403.845 3.169 20 0 HGADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164791213 721422264 /nfs/dbraw/zinc/42/22/64/721422264.db2.gz ZUDKSACWNGAQAE-TXEJJXNPSA-N 1 2 422.892 3.248 20 0 HGADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164791213 721422267 /nfs/dbraw/zinc/42/22/67/721422267.db2.gz ZUDKSACWNGAQAE-TXEJJXNPSA-N 1 2 422.892 3.248 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3nc1N1CCCC1)C2 ZINC001165008593 721712251 /nfs/dbraw/zinc/71/22/51/721712251.db2.gz HVLYQNOYNREXEG-UHFFFAOYSA-N 1 2 420.565 3.072 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3nc1N1CCCC1)C2 ZINC001165008593 721712253 /nfs/dbraw/zinc/71/22/53/721712253.db2.gz HVLYQNOYNREXEG-UHFFFAOYSA-N 1 2 420.565 3.072 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3c(F)cccc3F)nn1)C2 ZINC001165008470 721716139 /nfs/dbraw/zinc/71/61/39/721716139.db2.gz FQRXMIYXSFEWGZ-UHFFFAOYSA-N 1 2 413.476 3.264 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3c(F)cccc3F)nn1)C2 ZINC001165008470 721716141 /nfs/dbraw/zinc/71/61/41/721716141.db2.gz FQRXMIYXSFEWGZ-UHFFFAOYSA-N 1 2 413.476 3.264 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)cc(-c3ccncc3)n1)C2 ZINC001165011756 721719847 /nfs/dbraw/zinc/71/98/47/721719847.db2.gz TYAPDBLMCUOWMU-UHFFFAOYSA-N 1 2 412.929 3.034 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)cc(-c3ccncc3)n1)C2 ZINC001165011756 721719855 /nfs/dbraw/zinc/71/98/55/721719855.db2.gz TYAPDBLMCUOWMU-UHFFFAOYSA-N 1 2 412.929 3.034 20 0 HGADLO Cc1cccc2c(C)cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164911501 721770486 /nfs/dbraw/zinc/77/04/86/721770486.db2.gz GZCQPSASKOYWHM-VWLOTQADSA-N 1 2 418.541 3.354 20 0 HGADLO Cc1cccc2c(C)cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164911501 721770491 /nfs/dbraw/zinc/77/04/91/721770491.db2.gz GZCQPSASKOYWHM-VWLOTQADSA-N 1 2 418.541 3.354 20 0 HGADLO Clc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164912914 721772243 /nfs/dbraw/zinc/77/22/43/721772243.db2.gz RRZRYLHRZVMAAU-HSZRJFAPSA-N 1 2 424.932 3.391 20 0 HGADLO Clc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164912914 721772248 /nfs/dbraw/zinc/77/22/48/721772248.db2.gz RRZRYLHRZVMAAU-HSZRJFAPSA-N 1 2 424.932 3.391 20 0 HGADLO Clc1ccc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164917141 721788703 /nfs/dbraw/zinc/78/87/03/721788703.db2.gz XELDOEJHHCQAEO-HSZRJFAPSA-N 1 2 424.932 3.391 20 0 HGADLO Clc1ccc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164917141 721788704 /nfs/dbraw/zinc/78/87/04/721788704.db2.gz XELDOEJHHCQAEO-HSZRJFAPSA-N 1 2 424.932 3.391 20 0 HGADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917127 721812530 /nfs/dbraw/zinc/81/25/30/721812530.db2.gz KRKPEUVORTUUNQ-UHFFFAOYSA-N 1 2 417.941 3.166 20 0 HGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc(Cl)ncc2Cl)CC1 ZINC001164917960 721813741 /nfs/dbraw/zinc/81/37/41/721813741.db2.gz SBENSVIHDAAGHG-UHFFFAOYSA-N 1 2 417.291 3.274 20 0 HGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc(Cl)ncc2Cl)CC1 ZINC001164917960 721813742 /nfs/dbraw/zinc/81/37/42/721813742.db2.gz SBENSVIHDAAGHG-UHFFFAOYSA-N 1 2 417.291 3.274 20 0 HGADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1C ZINC001164918466 721815523 /nfs/dbraw/zinc/81/55/23/721815523.db2.gz ZKSWUAGUAZIFDX-UHFFFAOYSA-N 1 2 417.941 3.166 20 0 HGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2c3c(nnc2Cl)CCC3)CC1 ZINC001164918367 721819424 /nfs/dbraw/zinc/81/94/24/721819424.db2.gz PTCXKRRIRMTLJB-UHFFFAOYSA-N 1 2 422.911 3.110 20 0 HGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2c3c(nnc2Cl)CCC3)CC1 ZINC001164918367 721819425 /nfs/dbraw/zinc/81/94/25/721819425.db2.gz PTCXKRRIRMTLJB-UHFFFAOYSA-N 1 2 422.911 3.110 20 0 HGADLO Cn1ccc(CN2CCOCC23CCN(c2cc(-c4ccccc4)cc[nH+]2)CC3)n1 ZINC001164932978 721903682 /nfs/dbraw/zinc/90/36/82/721903682.db2.gz DLXCDYSVFKGDJW-UHFFFAOYSA-N 1 2 403.530 3.354 20 0 HGADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165036455 721916636 /nfs/dbraw/zinc/91/66/36/721916636.db2.gz CQVOONPWRPUURJ-OAHLLOKOSA-N 1 2 409.868 3.038 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164944224 721970734 /nfs/dbraw/zinc/97/07/34/721970734.db2.gz HHBMOLAKQBBJDF-UHFFFAOYSA-N 1 2 413.525 3.115 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccnc(-c3ccccc3)n1)CC2 ZINC001164944224 721970738 /nfs/dbraw/zinc/97/07/38/721970738.db2.gz HHBMOLAKQBBJDF-UHFFFAOYSA-N 1 2 413.525 3.115 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164947653 721975705 /nfs/dbraw/zinc/97/57/05/721975705.db2.gz PUIZTGHIQZAXND-UHFFFAOYSA-N 1 2 419.554 3.176 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3cccs3)nn1)CC2 ZINC001164947653 721975707 /nfs/dbraw/zinc/97/57/07/721975707.db2.gz PUIZTGHIQZAXND-UHFFFAOYSA-N 1 2 419.554 3.176 20 0 HGADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054482 722009911 /nfs/dbraw/zinc/00/99/11/722009911.db2.gz ZMFBTFBBBHABJQ-UHFFFAOYSA-N 1 2 422.911 3.035 20 0 HGADLO O=C(NC1CCCC1)c1cnc(N2CC[NH+](CCc3ccccn3)CC2)c(Cl)c1 ZINC001165054902 722017664 /nfs/dbraw/zinc/01/76/64/722017664.db2.gz IUUZBUSQEIKJOZ-UHFFFAOYSA-N 1 2 413.953 3.167 20 0 HGADLO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056428 722021026 /nfs/dbraw/zinc/02/10/26/722021026.db2.gz UNGMKUBGPVIQCA-UHFFFAOYSA-N 1 2 424.908 3.130 20 0 HGADLO CC(=O)N(c1nc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cs1)C1CC1 ZINC000604766238 1126100036 /nfs/dbraw/zinc/10/00/36/1126100036.db2.gz SSUISIOATYJQOX-SJORKVTESA-N 1 2 413.465 3.283 20 0 HGADLO CC(C)[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COc1ccccc1 ZINC000036159664 569102705 /nfs/dbraw/zinc/10/27/05/569102705.db2.gz KHMXSJVYCYHHQP-HNNXBMFYSA-N 1 2 413.543 3.124 20 0 HGADLO CC(C)[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COc1ccccc1 ZINC000036159664 569102706 /nfs/dbraw/zinc/10/27/06/569102706.db2.gz KHMXSJVYCYHHQP-HNNXBMFYSA-N 1 2 413.543 3.124 20 0 HGADLO O=C(c1cccnc1N1C[C@H]2[C@H](CC2(F)F)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164409273 718869661 /nfs/dbraw/zinc/86/96/61/718869661.db2.gz PBKILBVEESNVOC-QUCCMNQESA-N 1 2 412.484 3.131 20 0 HGADLO O=C(c1cccnc1N1CC[C@@H]2CCCO[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164422450 718899777 /nfs/dbraw/zinc/89/97/77/718899777.db2.gz VEUNXRDOLMDLLH-JTHBVZDNSA-N 1 2 420.557 3.045 20 0 HGADLO COC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncc1F ZINC001164671169 719502387 /nfs/dbraw/zinc/50/23/87/719502387.db2.gz BVXMGJCSVHQVMS-UHFFFAOYSA-N 1 2 417.456 3.018 20 0 HGADLO COC(=O)c1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncc1F ZINC001164671169 719502396 /nfs/dbraw/zinc/50/23/96/719502396.db2.gz BVXMGJCSVHQVMS-UHFFFAOYSA-N 1 2 417.456 3.018 20 0 HGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncc(OC(F)F)cn2)CC3)cc1 ZINC001164673322 719515069 /nfs/dbraw/zinc/51/50/69/719515069.db2.gz OGODCHIWOYSBJU-UHFFFAOYSA-N 1 2 408.424 3.089 20 0 HGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncc(OC(F)F)cn2)CC3)cc1 ZINC001164673322 719515075 /nfs/dbraw/zinc/51/50/75/719515075.db2.gz OGODCHIWOYSBJU-UHFFFAOYSA-N 1 2 408.424 3.089 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cccc(Cl)c2n1 ZINC001164699989 719850020 /nfs/dbraw/zinc/85/00/20/719850020.db2.gz JHWOZDSNEQEVFL-IIBYNOLFSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(Cl)cccc2n1 ZINC001164706356 719852552 /nfs/dbraw/zinc/85/25/52/719852552.db2.gz WNMUHYJHTMZPOX-YCRPNKLZSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(Cl)cccc2n1 ZINC001164706354 719852928 /nfs/dbraw/zinc/85/29/28/719852928.db2.gz WNMUHYJHTMZPOX-QVKFZJNVSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2c(C)ccc(F)c2cc1C ZINC001164698730 719860754 /nfs/dbraw/zinc/86/07/54/719860754.db2.gz DGRRMKWIHFDKQL-HXOBKFHXSA-N 1 2 415.509 3.223 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C2CCCCC2)nc(C)n1 ZINC001164706532 719865655 /nfs/dbraw/zinc/86/56/55/719865655.db2.gz PTDXKRNRPRDMKP-XXBNENTESA-N 1 2 416.566 3.065 20 0 HGADLO FC(F)(c1cc(Cl)nc(Cl)n1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164781665 721391061 /nfs/dbraw/zinc/39/10/61/721391061.db2.gz CQWMCGDQIYEABW-UWVGGRQHSA-N 1 2 406.289 3.353 20 0 HGADLO FC(F)(c1cnc(Cl)nc1Cl)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783382 721391432 /nfs/dbraw/zinc/39/14/32/721391432.db2.gz HTIWTOBQTBXUKW-AOOOYVTPSA-N 1 2 406.289 3.353 20 0 HGADLO FC(F)(c1cnc(Cl)nc1Cl)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783382 721391440 /nfs/dbraw/zinc/39/14/40/721391440.db2.gz HTIWTOBQTBXUKW-AOOOYVTPSA-N 1 2 406.289 3.353 20 0 HGADLO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)n1 ZINC001164785477 721414005 /nfs/dbraw/zinc/41/40/05/721414005.db2.gz MRQKDVKCSIQKRX-CALCHBBNSA-N 1 2 403.983 3.356 20 0 HGADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164791211 721422441 /nfs/dbraw/zinc/42/24/41/721422441.db2.gz ZUDKSACWNGAQAE-RYUDHWBXSA-N 1 2 422.892 3.248 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c(F)cccc31)C2 ZINC001165010301 721702665 /nfs/dbraw/zinc/70/26/65/721702665.db2.gz HCEJVMKCFIIJFL-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c(F)cccc31)C2 ZINC001165010301 721702667 /nfs/dbraw/zinc/70/26/67/721702667.db2.gz HCEJVMKCFIIJFL-UHFFFAOYSA-N 1 2 403.893 3.264 20 0 HGADLO Cc1c(Cl)nc(CC(C)C)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010334 721720185 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3.240 20 0 HGADLO CCN(C(C)=O)c1nc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cs1 ZINC000604765698 1126099420 /nfs/dbraw/zinc/09/94/20/1126099420.db2.gz JZDLOLTVLCQBQL-CVEARBPZSA-N 1 2 401.454 3.140 20 0 HGADLO CCN(C(C)=O)c1nc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cs1 ZINC000604765701 1126099598 /nfs/dbraw/zinc/09/95/98/1126099598.db2.gz JZDLOLTVLCQBQL-JKSUJKDBSA-N 1 2 401.454 3.140 20 0 HGADLO C[C@@H]1CN(c2ccc(CNc3cc(-c4ccccc4)nc4ncnn43)c[nH+]2)C[C@H](C)O1 ZINC000095356607 568601513 /nfs/dbraw/zinc/60/15/13/568601513.db2.gz OXJHGGSKFOSCSH-CALCHBBNSA-N 1 2 415.501 3.412 20 0 HGADLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(Br)s1 ZINC000007674681 569300209 /nfs/dbraw/zinc/30/02/09/569300209.db2.gz UMHPQPWZTUGPGN-UHFFFAOYSA-N 1 2 400.323 3.147 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(OC)n1)CC2 ZINC001164664551 719347124 /nfs/dbraw/zinc/34/71/24/719347124.db2.gz YCBHNMCKJFPRCZ-UHFFFAOYSA-N 1 2 404.518 3.180 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(OC)n1)CC2 ZINC001164664551 719347126 /nfs/dbraw/zinc/34/71/26/719347126.db2.gz YCBHNMCKJFPRCZ-UHFFFAOYSA-N 1 2 404.518 3.180 20 0 HGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)ccc4Cl)CC3)C2=O)cs1 ZINC001164823992 720363245 /nfs/dbraw/zinc/36/32/45/720363245.db2.gz GHOMUEBVSKMSGY-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)ccc4Cl)CC3)C2=O)cs1 ZINC001164823992 720363252 /nfs/dbraw/zinc/36/32/52/720363252.db2.gz GHOMUEBVSKMSGY-UHFFFAOYSA-N 1 2 419.982 3.122 20 0 HGADLO FC(F)(N1CCCn2nnc(Cn3cc[nH+]c3)c2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164832078 720399510 /nfs/dbraw/zinc/39/95/10/720399510.db2.gz ZADOIJRJNJPFGD-UHFFFAOYSA-N 1 2 419.867 3.102 20 0 HGADLO Nc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c1 ZINC001164871715 721219975 /nfs/dbraw/zinc/21/99/75/721219975.db2.gz KUDRKVBUXQQVGG-UHFFFAOYSA-N 1 2 409.868 3.133 20 0 HGADLO COc1ccc2nc(Cl)nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165007510 721692929 /nfs/dbraw/zinc/69/29/29/721692929.db2.gz DFDUVPOOFHKBTN-UHFFFAOYSA-N 1 2 415.929 3.134 20 0 HGADLO COc1ccc2nc(Cl)nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165007510 721692936 /nfs/dbraw/zinc/69/29/36/721692936.db2.gz DFDUVPOOFHKBTN-UHFFFAOYSA-N 1 2 415.929 3.134 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccc(Cl)nc1)C2 ZINC001165010739 721700275 /nfs/dbraw/zinc/70/02/75/721700275.db2.gz LIZFFUZPTKVMTB-UHFFFAOYSA-N 1 2 400.861 3.002 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccc(Cl)nc1)C2 ZINC001165010739 721700279 /nfs/dbraw/zinc/70/02/79/721700279.db2.gz LIZFFUZPTKVMTB-UHFFFAOYSA-N 1 2 400.861 3.002 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)Nc3ccccc3)ccn1)C2 ZINC001165009531 721704975 /nfs/dbraw/zinc/70/49/75/721704975.db2.gz AMSGPFAKQNQOQP-UHFFFAOYSA-N 1 2 419.533 3.176 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)Nc3ccccc3)ccn1)C2 ZINC001165009531 721704977 /nfs/dbraw/zinc/70/49/77/721704977.db2.gz AMSGPFAKQNQOQP-UHFFFAOYSA-N 1 2 419.533 3.176 20 0 HGADLO COc1ccc2nc(Cl)cc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2n1 ZINC001165010234 721706068 /nfs/dbraw/zinc/70/60/68/721706068.db2.gz FTXUTIVWWFPCGG-UHFFFAOYSA-N 1 2 415.929 3.134 20 0 HGADLO COc1ccc2nc(Cl)cc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2n1 ZINC001165010234 721706072 /nfs/dbraw/zinc/70/60/72/721706072.db2.gz FTXUTIVWWFPCGG-UHFFFAOYSA-N 1 2 415.929 3.134 20 0 HGADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165011451 721706149 /nfs/dbraw/zinc/70/61/49/721706149.db2.gz SUPZVDLNEXIRQI-UHFFFAOYSA-N 1 2 420.945 3.062 20 0 HGADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165011451 721706155 /nfs/dbraw/zinc/70/61/55/721706155.db2.gz SUPZVDLNEXIRQI-UHFFFAOYSA-N 1 2 420.945 3.062 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)COc1cccc(Cl)n1)C2 ZINC001165009122 721707809 /nfs/dbraw/zinc/70/78/09/721707809.db2.gz PRIDXJYFPKEZJX-UHFFFAOYSA-N 1 2 414.888 3.044 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)COc1cccc(Cl)n1)C2 ZINC001165009122 721707810 /nfs/dbraw/zinc/70/78/10/721707810.db2.gz PRIDXJYFPKEZJX-UHFFFAOYSA-N 1 2 414.888 3.044 20 0 HGADLO COc1ccc2nc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)c(Cl)nc2c1 ZINC001164917919 721814597 /nfs/dbraw/zinc/81/45/97/721814597.db2.gz QIJGUWDRXZTQCQ-UHFFFAOYSA-N 1 2 412.925 3.238 20 0 HGADLO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001165037781 721918162 /nfs/dbraw/zinc/91/81/62/721918162.db2.gz JQYWUGQVGMMVCE-SFHVURJKSA-N 1 2 417.623 3.451 20 0 HGADLO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460872256 1126193510 /nfs/dbraw/zinc/19/35/10/1126193510.db2.gz UZPONSWRMWRBST-FQEVSTJZSA-N 1 2 400.479 3.013 20 0 HGADLO Cn1c2nnc(C[NH+]3CCC(CCc4ccc(O)cc4)CC3)n2c2ccccc2c1=O ZINC000032906845 527127338 /nfs/dbraw/zinc/12/73/38/527127338.db2.gz FTGHHLNIHUXGTQ-UHFFFAOYSA-N 1 2 417.513 3.132 20 0 HGADLO O=C(c1cccnc1N1C[C@H]2CC(F)(F)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164409277 718870115 /nfs/dbraw/zinc/87/01/15/718870115.db2.gz PBKILBVEESNVOC-UYAOXDASSA-N 1 2 412.484 3.131 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(OC)nn1)CC2 ZINC001164664083 719346164 /nfs/dbraw/zinc/34/61/64/719346164.db2.gz QLZXUOLCBGJIGP-UHFFFAOYSA-N 1 2 404.518 3.180 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(OC)nn1)CC2 ZINC001164664083 719346167 /nfs/dbraw/zinc/34/61/67/719346167.db2.gz QLZXUOLCBGJIGP-UHFFFAOYSA-N 1 2 404.518 3.180 20 0 HGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4cnc(F)cc42)CC3)cc1 ZINC001164673185 719500207 /nfs/dbraw/zinc/50/02/07/719500207.db2.gz PILMEQNKUQWQEI-UHFFFAOYSA-N 1 2 411.456 3.174 20 0 HGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4cnc(F)cc42)CC3)cc1 ZINC001164673185 719500215 /nfs/dbraw/zinc/50/02/15/719500215.db2.gz PILMEQNKUQWQEI-UHFFFAOYSA-N 1 2 411.456 3.174 20 0 HGADLO COc1c(Cl)nc(C)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671104 719508305 /nfs/dbraw/zinc/50/83/05/719508305.db2.gz BLJMFDWBJXIFLG-UHFFFAOYSA-N 1 2 420.916 3.458 20 0 HGADLO COc1c(Cl)nc(C)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671104 719508324 /nfs/dbraw/zinc/50/83/24/719508324.db2.gz BLJMFDWBJXIFLG-UHFFFAOYSA-N 1 2 420.916 3.458 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)c2ccc(Cl)cc2n1 ZINC001164701534 719860592 /nfs/dbraw/zinc/86/05/92/719860592.db2.gz LBGHDNVKUGGYGN-VGSWGCGISA-N 1 2 417.937 3.429 20 0 HGADLO O[C@@H]1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]1Cc1ccccc1 ZINC001164835651 720486180 /nfs/dbraw/zinc/48/61/80/720486180.db2.gz ZKBLOSKPLCTUPM-BJKOFHAPSA-N 1 2 400.526 3.217 20 0 HGADLO O[C@@H]1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]1Cc1ccccc1 ZINC001164835651 720486188 /nfs/dbraw/zinc/48/61/88/720486188.db2.gz ZKBLOSKPLCTUPM-BJKOFHAPSA-N 1 2 400.526 3.217 20 0 HGADLO Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)n1 ZINC001164872883 721217066 /nfs/dbraw/zinc/21/70/66/721217066.db2.gz OUGIVLHXWSEPDS-UHFFFAOYSA-N 1 2 409.868 3.254 20 0 HGADLO Cc1nc(Cl)cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)n1 ZINC001164767740 721272054 /nfs/dbraw/zinc/27/20/54/721272054.db2.gz SMBZRSPQRFHAJR-AWEZNQCLSA-N 1 2 420.851 3.290 20 0 HGADLO Nc1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)c1 ZINC001164768979 721274665 /nfs/dbraw/zinc/27/46/65/721274665.db2.gz MSLOTRUTRHEMAY-ZDUSSCGKSA-N 1 2 420.851 3.169 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001165011667 721699322 /nfs/dbraw/zinc/69/93/22/721699322.db2.gz UVRFXKQXIDUVJJ-UHFFFAOYSA-N 1 2 420.295 3.170 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001165011667 721699328 /nfs/dbraw/zinc/69/93/28/721699328.db2.gz UVRFXKQXIDUVJJ-UHFFFAOYSA-N 1 2 420.295 3.170 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc(Oc3ccc(F)cc3)n1)C2 ZINC001165008935 721716904 /nfs/dbraw/zinc/71/69/04/721716904.db2.gz LTOHBRHIYLPJRP-UHFFFAOYSA-N 1 2 411.485 3.250 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc(Oc3ccc(F)cc3)n1)C2 ZINC001165008935 721716907 /nfs/dbraw/zinc/71/69/07/721716907.db2.gz LTOHBRHIYLPJRP-UHFFFAOYSA-N 1 2 411.485 3.250 20 0 HGADLO CC(C)c1noc(-c2ccnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2)n1 ZINC001165011827 721717986 /nfs/dbraw/zinc/71/79/86/721717986.db2.gz WAZBUVQHDMJCTL-UHFFFAOYSA-N 1 2 410.526 3.097 20 0 HGADLO CC(C)c1noc(-c2ccnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2)n1 ZINC001165011827 721717994 /nfs/dbraw/zinc/71/79/94/721717994.db2.gz WAZBUVQHDMJCTL-UHFFFAOYSA-N 1 2 410.526 3.097 20 0 HGADLO COc1ccccc1-c1ccc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nn1 ZINC001164918289 721819348 /nfs/dbraw/zinc/81/93/48/721819348.db2.gz LZJVRHPOYGTNRH-UHFFFAOYSA-N 1 2 404.518 3.098 20 0 HGADLO COc1cccc(-c2ccc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nn2)c1 ZINC001164917878 721819441 /nfs/dbraw/zinc/81/94/41/721819441.db2.gz KFNUTZZHDWZSHD-UHFFFAOYSA-N 1 2 404.518 3.098 20 0 HGADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165036220 721916445 /nfs/dbraw/zinc/91/64/45/721916445.db2.gz AOJBVSPQYVCFMT-HNNXBMFYSA-N 1 2 409.868 3.038 20 0 HGADLO COC1(c2nc(C3CCOCC3)no2)CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000583615902 560776321 /nfs/dbraw/zinc/77/63/21/560776321.db2.gz MGBPHHGOTJSWFW-UHFFFAOYSA-N 1 2 417.510 3.142 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc3ccnn31)CC2 ZINC001164660671 719344954 /nfs/dbraw/zinc/34/49/54/719344954.db2.gz JTFHGDBRYVKHFW-UHFFFAOYSA-N 1 2 413.529 3.424 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccnc3ccnn31)CC2 ZINC001164660671 719344957 /nfs/dbraw/zinc/34/49/57/719344957.db2.gz JTFHGDBRYVKHFW-UHFFFAOYSA-N 1 2 413.529 3.424 20 0 HGADLO Fc1ccc(C[N@H+]2CCOCC23CCN([C@H](F)Oc2cncc(Cl)n2)CC3)cc1 ZINC001164678364 719530668 /nfs/dbraw/zinc/53/06/68/719530668.db2.gz KIZGSUYNEGQUAJ-IBGZPJMESA-N 1 2 424.879 3.268 20 0 HGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN([C@H](F)Oc2cncc(Cl)n2)CC3)cc1 ZINC001164678364 719530686 /nfs/dbraw/zinc/53/06/86/719530686.db2.gz KIZGSUYNEGQUAJ-IBGZPJMESA-N 1 2 424.879 3.268 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)ncc(Cl)c1Cl ZINC001164702513 719856341 /nfs/dbraw/zinc/85/63/41/719856341.db2.gz NMPBFFQPMKPCPD-PIGZYNQJSA-N 1 2 422.740 3.275 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ccc(Cl)c(C)c2n1 ZINC001164699851 719864171 /nfs/dbraw/zinc/86/41/71/719864171.db2.gz CFBOULKSNNYDDX-HTAPYJJXSA-N 1 2 417.937 3.429 20 0 HGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(C)n1 ZINC001164722833 720312529 /nfs/dbraw/zinc/31/25/29/720312529.db2.gz MAZBCYVZZWFKHS-AWEZNQCLSA-N 1 2 412.872 3.001 20 0 HGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1ccnc(Cl)c1 ZINC001164726485 720317269 /nfs/dbraw/zinc/31/72/69/720317269.db2.gz ZUXACNYDHCJJSK-HNNXBMFYSA-N 1 2 413.856 3.177 20 0 HGADLO FC(F)(c1ccc(Cl)nc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830437 720397008 /nfs/dbraw/zinc/39/70/08/720397008.db2.gz QSNHDEZIUBWGQI-UHFFFAOYSA-N 1 2 414.247 3.180 20 0 HGADLO O[C@@H]1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]1Cc1ccccc1 ZINC001164835653 720485774 /nfs/dbraw/zinc/48/57/74/720485774.db2.gz ZKBLOSKPLCTUPM-DNQXCXABSA-N 1 2 400.526 3.217 20 0 HGADLO O[C@@H]1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]1Cc1ccccc1 ZINC001164835653 720485779 /nfs/dbraw/zinc/48/57/79/720485779.db2.gz ZKBLOSKPLCTUPM-DNQXCXABSA-N 1 2 400.526 3.217 20 0 HGADLO Cc1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)n1 ZINC001164769744 721272330 /nfs/dbraw/zinc/27/23/30/721272330.db2.gz ZKBXTXAFFPCFNW-AWEZNQCLSA-N 1 2 420.851 3.290 20 0 HGADLO FC(F)(c1nc(Cl)cc(Cl)n1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164786552 721393833 /nfs/dbraw/zinc/39/38/33/721393833.db2.gz OEKGWYBSZGXBMK-NXEZZACHSA-N 1 2 406.289 3.353 20 0 HGADLO FC(F)(c1nc(Cl)cc(Cl)n1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786550 721394482 /nfs/dbraw/zinc/39/44/82/721394482.db2.gz OEKGWYBSZGXBMK-AOOOYVTPSA-N 1 2 406.289 3.353 20 0 HGADLO FC(F)(c1nc(Cl)cc(Cl)n1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786550 721394484 /nfs/dbraw/zinc/39/44/84/721394484.db2.gz OEKGWYBSZGXBMK-AOOOYVTPSA-N 1 2 406.289 3.353 20 0 HGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc(Cl)cc(Cl)n2)CC1 ZINC001164917624 721813057 /nfs/dbraw/zinc/81/30/57/721813057.db2.gz OCKWLIWBWHMBQP-UHFFFAOYSA-N 1 2 417.291 3.274 20 0 HGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc(Cl)cc(Cl)n2)CC1 ZINC001164917624 721813058 /nfs/dbraw/zinc/81/30/58/721813058.db2.gz OCKWLIWBWHMBQP-UHFFFAOYSA-N 1 2 417.291 3.274 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(F)cc3ncnc(Cl)c32)CC1 ZINC001164918877 721817911 /nfs/dbraw/zinc/81/79/11/721817911.db2.gz WSWPJIWTCZNHSZ-UHFFFAOYSA-N 1 2 400.889 3.368 20 0 HGADLO Cc1nc(CN2CCOC[C@]3(CN(c4ccc(C(C)C)c[nH+]4)CCO3)C2)cs1 ZINC001164921345 721828718 /nfs/dbraw/zinc/82/87/18/721828718.db2.gz JUAOVVSMABOIIS-OAQYLSRUSA-N 1 2 402.564 3.078 20 0 HGADLO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[NH+](C[C@H]4CCCO4)CC3)nc12 ZINC001165037408 721904854 /nfs/dbraw/zinc/90/48/54/721904854.db2.gz GLLWIRMUVFLGTO-GFCCVEGCSA-N 1 2 400.832 3.268 20 0 HGADLO Cc1nc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)cc(C2CCCCC2)[nH+]1 ZINC001164935167 721907376 /nfs/dbraw/zinc/90/73/76/721907376.db2.gz ASPMGHUGHYFYLM-UHFFFAOYSA-N 1 2 424.593 3.438 20 0 HGADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165044846 721919959 /nfs/dbraw/zinc/91/99/59/721919959.db2.gz WMQHWZVZLUIPJT-CQSZACIVSA-N 1 2 409.868 3.038 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164948186 721975032 /nfs/dbraw/zinc/97/50/32/721975032.db2.gz VBCQNMSNXOZRGJ-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc3ccc(Cl)nc3cn1)CC2 ZINC001164948186 721975034 /nfs/dbraw/zinc/97/50/34/721975034.db2.gz VBCQNMSNXOZRGJ-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO CSc1ccnc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945086 721975666 /nfs/dbraw/zinc/97/56/66/721975666.db2.gz BZXJDYJWOGSTKU-UHFFFAOYSA-N 1 2 416.978 3.428 20 0 HGADLO CSc1ccnc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945086 721975669 /nfs/dbraw/zinc/97/56/69/721975669.db2.gz BZXJDYJWOGSTKU-UHFFFAOYSA-N 1 2 416.978 3.428 20 0 HGADLO COCCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)cn1 ZINC000328602972 569416815 /nfs/dbraw/zinc/41/68/15/569416815.db2.gz DNJLMUMAVYESBA-LEWJYISDSA-N 1 2 408.458 3.433 20 0 HGADLO O=C(c1cccnc1N1CC[C@H]2CCCO[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164422448 718899878 /nfs/dbraw/zinc/89/98/78/718899878.db2.gz VEUNXRDOLMDLLH-GGAORHGYSA-N 1 2 420.557 3.045 20 0 HGADLO COC(=O)c1cc(F)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671050 719494964 /nfs/dbraw/zinc/49/49/64/719494964.db2.gz ZCYSGGBMOIQJPN-UHFFFAOYSA-N 1 2 417.456 3.018 20 0 HGADLO COC(=O)c1cc(F)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671050 719494965 /nfs/dbraw/zinc/49/49/65/719494965.db2.gz ZCYSGGBMOIQJPN-UHFFFAOYSA-N 1 2 417.456 3.018 20 0 HGADLO CCN(CC)c1cncc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164672793 719518313 /nfs/dbraw/zinc/51/83/13/719518313.db2.gz ODIYSADFXXRBKZ-UHFFFAOYSA-N 1 2 413.541 3.333 20 0 HGADLO CCN(CC)c1cncc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164672793 719518324 /nfs/dbraw/zinc/51/83/24/719518324.db2.gz ODIYSADFXXRBKZ-UHFFFAOYSA-N 1 2 413.541 3.333 20 0 HGADLO FC(F)(c1nc(Cl)ncc1Cl)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164678233 719562991 /nfs/dbraw/zinc/56/29/91/719562991.db2.gz WDSKLYSTMXIBRG-UHFFFAOYSA-N 1 2 401.204 3.124 20 0 HGADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676816 719565785 /nfs/dbraw/zinc/56/57/85/719565785.db2.gz GDWRVMIANAYSOE-UHFFFAOYSA-N 1 2 417.807 3.019 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cc(Cl)ccc2n1 ZINC001164706602 719842895 /nfs/dbraw/zinc/84/28/95/719842895.db2.gz XWNBBGMQAKJVBT-DYESRHJHSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2cc1Cl ZINC001164699349 719849939 /nfs/dbraw/zinc/84/99/39/719849939.db2.gz HNWIPNKBHWVKPA-IIBYNOLFSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2c(C)ccc(F)c2cc1C ZINC001164698734 719860717 /nfs/dbraw/zinc/86/07/17/719860717.db2.gz DGRRMKWIHFDKQL-UZUQRXQVSA-N 1 2 415.509 3.223 20 0 HGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1cccc(Cl)n1 ZINC001164724093 720313119 /nfs/dbraw/zinc/31/31/19/720313119.db2.gz QJPYTFMVRZEVAS-AWEZNQCLSA-N 1 2 413.856 3.177 20 0 HGADLO Cc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc(Cl)n1 ZINC001164767589 721273427 /nfs/dbraw/zinc/27/34/27/721273427.db2.gz RVIVKNCUMJSTHM-AWEZNQCLSA-N 1 2 420.851 3.290 20 0 HGADLO FC(F)(Oc1ccnc(Cl)c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770698 721276355 /nfs/dbraw/zinc/27/63/55/721276355.db2.gz XASUQQDBCMGXDY-AWEZNQCLSA-N 1 2 421.835 3.467 20 0 HGADLO FC(F)(c1cc(Cl)nc(Cl)n1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164781663 721391382 /nfs/dbraw/zinc/39/13/82/721391382.db2.gz CQWMCGDQIYEABW-NXEZZACHSA-N 1 2 406.289 3.353 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c(F)cccc32)CC1 ZINC001164917963 721815062 /nfs/dbraw/zinc/81/50/62/721815062.db2.gz SCKLQNRWHSLBNU-UHFFFAOYSA-N 1 2 400.889 3.368 20 0 HGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(C3CC3)nnc2Cl)CC1 ZINC001164918306 721819518 /nfs/dbraw/zinc/81/95/18/721819518.db2.gz NBTVQIVWIPLFTR-UHFFFAOYSA-N 1 2 422.911 3.498 20 0 HGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(C3CC3)nnc2Cl)CC1 ZINC001164918306 721819520 /nfs/dbraw/zinc/81/95/20/721819520.db2.gz NBTVQIVWIPLFTR-UHFFFAOYSA-N 1 2 422.911 3.498 20 0 HGADLO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]c(C)cc(Cl)c4C)CCO3)C2)cs1 ZINC001164920081 721829111 /nfs/dbraw/zinc/82/91/11/721829111.db2.gz ACBWVEXVWFQEDJ-FQEVSTJZSA-N 1 2 422.982 3.225 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164948422 721975920 /nfs/dbraw/zinc/97/59/20/721975920.db2.gz YZNFSCGCQVGZJW-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc3ccc(Cl)cc3n1)CC2 ZINC001164948422 721975924 /nfs/dbraw/zinc/97/59/24/721975924.db2.gz YZNFSCGCQVGZJW-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164951058 721980894 /nfs/dbraw/zinc/98/08/94/721980894.db2.gz XHCQKYYVEAXLDW-UHFFFAOYSA-N 1 2 420.557 3.122 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(COC3CCC3)cn1)CC2 ZINC001164951058 721980896 /nfs/dbraw/zinc/98/08/96/721980896.db2.gz XHCQKYYVEAXLDW-UHFFFAOYSA-N 1 2 420.557 3.122 20 0 HGADLO CCS(=O)(=O)c1ccnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164998493 722213429 /nfs/dbraw/zinc/21/34/29/722213429.db2.gz WCSMYYQFHLENDF-NRFANRHFSA-N 1 2 403.523 3.259 20 0 HGADLO CCS(=O)(=O)c1ccnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164998493 722213432 /nfs/dbraw/zinc/21/34/32/722213432.db2.gz WCSMYYQFHLENDF-NRFANRHFSA-N 1 2 403.523 3.259 20 0 HGADLO O=C([O-])C1([NH2+]Cc2cnc(-c3ccccn3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000556323451 1126096988 /nfs/dbraw/zinc/09/69/88/1126096988.db2.gz OFUXZJKUJWTANW-UHFFFAOYSA-N 1 2 408.527 3.414 20 0 HGADLO COc1cccc(-c2nnc(C[NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)o2)c1 ZINC001197295670 1126153716 /nfs/dbraw/zinc/15/37/16/1126153716.db2.gz HGRADUWCWSOOJA-WMZOPIPTSA-N 1 2 407.392 3.369 20 0 HGADLO Cc1cc(NC[C@@H]2CC(=O)N(C)[C@H]2c2cnn(Cc3ccccc3)c2)nc(C(C)C)[nH+]1 ZINC000328602103 571307520 /nfs/dbraw/zinc/30/75/20/571307520.db2.gz AEPQOOXUMYTROG-WMZHIEFXSA-N 1 2 418.545 3.785 20 0 HGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2[nH+][n-]c(Cl)c4ncnc2-4)CC3)cc1 ZINC001164673336 719515431 /nfs/dbraw/zinc/51/54/31/719515431.db2.gz OTLDQBZORALHTP-UHFFFAOYSA-N 1 2 416.888 3.017 20 0 HGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2[nH+][n-]c(Cl)c4ncnc2-4)CC3)cc1 ZINC001164673336 719515443 /nfs/dbraw/zinc/51/54/43/719515443.db2.gz OTLDQBZORALHTP-UHFFFAOYSA-N 1 2 416.888 3.017 20 0 HGADLO COc1cnc2c(c1)ncnc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672790 719518951 /nfs/dbraw/zinc/51/89/51/719518951.db2.gz OALVKTBMVPYWLI-UHFFFAOYSA-N 1 2 423.492 3.044 20 0 HGADLO COc1cnc2c(c1)ncnc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672790 719518959 /nfs/dbraw/zinc/51/89/59/719518959.db2.gz OALVKTBMVPYWLI-UHFFFAOYSA-N 1 2 423.492 3.044 20 0 HGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(C)C)nc(C(C)(C)C)n1 ZINC001164705710 719872861 /nfs/dbraw/zinc/87/28/61/719872861.db2.gz OAPJABBCOLVVRD-HXOBKFHXSA-N 1 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CC(C)C(=O)N1CC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@H]21 ZINC001164894781 721463249 /nfs/dbraw/zinc/46/32/49/721463249.db2.gz YPXDJPLWHCTRIV-NFBKMPQASA-N 1 2 419.573 3.118 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nnc(Cl)cc1-c1ccncc1)C2 ZINC001165010307 721696977 /nfs/dbraw/zinc/69/69/77/721696977.db2.gz VFZNYANBFLTSJK-UHFFFAOYSA-N 1 2 412.929 3.034 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nnc(Cl)cc1-c1ccncc1)C2 ZINC001165010307 721696983 /nfs/dbraw/zinc/69/69/83/721696983.db2.gz VFZNYANBFLTSJK-UHFFFAOYSA-N 1 2 412.929 3.034 20 0 HGADLO COc1cc2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2cc1OC ZINC001165009009 721707708 /nfs/dbraw/zinc/70/77/08/721707708.db2.gz MVNONSHRIOEQGU-UHFFFAOYSA-N 1 2 410.522 3.094 20 0 HGADLO COc1cc2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2cc1OC ZINC001165009009 721707714 /nfs/dbraw/zinc/70/77/14/721707714.db2.gz MVNONSHRIOEQGU-UHFFFAOYSA-N 1 2 410.522 3.094 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccnc(Cl)c1)C2 ZINC001165009856 721720016 /nfs/dbraw/zinc/72/00/16/721720016.db2.gz BDOKPDBEFYACSD-UHFFFAOYSA-N 1 2 400.861 3.002 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1ccnc(Cl)c1)C2 ZINC001165009856 721720021 /nfs/dbraw/zinc/72/00/21/721720021.db2.gz BDOKPDBEFYACSD-UHFFFAOYSA-N 1 2 400.861 3.002 20 0 HGADLO CSc1nc2ccsc2c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164918432 721814963 /nfs/dbraw/zinc/81/49/63/721814963.db2.gz XLYFPNCYICCGSZ-UHFFFAOYSA-N 1 2 400.577 3.359 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C)nc3sc4c(c32)CCC4)CC1 ZINC001164918706 721818843 /nfs/dbraw/zinc/81/88/43/721818843.db2.gz RRBNJNGYKHKJLG-UHFFFAOYSA-N 1 2 408.575 3.434 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1 ZINC001164919829 721819659 /nfs/dbraw/zinc/81/96/59/721819659.db2.gz WYKVKXJLPAWUAU-UHFFFAOYSA-N 1 2 408.481 3.354 20 0 HGADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165036223 721916552 /nfs/dbraw/zinc/91/65/52/721916552.db2.gz AOJBVSPQYVCFMT-OAHLLOKOSA-N 1 2 409.868 3.038 20 0 HGADLO COc1ccc2c[nH+]c(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)cc2c1 ZINC001165007209 722266643 /nfs/dbraw/zinc/26/66/43/722266643.db2.gz QIKIRQBQNKIXSV-DEOSSOPVSA-N 1 2 420.488 3.310 20 0 HGADLO COc1cccc(-c2nnc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)o2)c1 ZINC001197295666 1126153870 /nfs/dbraw/zinc/15/38/70/1126153870.db2.gz HGRADUWCWSOOJA-FUHWJXTLSA-N 1 2 407.392 3.369 20 0 HGADLO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ncsc2Br)cc1OC ZINC001473840202 1126200681 /nfs/dbraw/zinc/20/06/81/1126200681.db2.gz SJRBJEKQSAAEER-INIZCTEOSA-N 1 2 401.326 3.006 20 0 HGADLO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000033106458 558874146 /nfs/dbraw/zinc/87/41/46/558874146.db2.gz GDFDYSDCBCSRTD-UHFFFAOYSA-N 1 2 409.490 3.428 20 0 HGADLO O=C(c1cccnc1N1C[C@@H]2CC(F)(F)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164409267 718869576 /nfs/dbraw/zinc/86/95/76/718869576.db2.gz PBKILBVEESNVOC-AZUAARDMSA-N 1 2 412.484 3.131 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1N(C)C)CC2 ZINC001164663476 719349303 /nfs/dbraw/zinc/34/93/03/719349303.db2.gz IAYZAEFGJSOXIW-UHFFFAOYSA-N 1 2 417.561 3.237 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1N(C)C)CC2 ZINC001164663476 719349306 /nfs/dbraw/zinc/34/93/06/719349306.db2.gz IAYZAEFGJSOXIW-UHFFFAOYSA-N 1 2 417.561 3.237 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(COC)n1)CC2 ZINC001164663150 719349798 /nfs/dbraw/zinc/34/97/98/719349798.db2.gz FIPQFUIVTRFEFX-UHFFFAOYSA-N 1 2 418.545 3.318 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(COC)n1)CC2 ZINC001164663150 719349801 /nfs/dbraw/zinc/34/98/01/719349801.db2.gz FIPQFUIVTRFEFX-UHFFFAOYSA-N 1 2 418.545 3.318 20 0 HGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2c(F)nc(F)nc2Cl)CC3)cc1 ZINC001164672555 719519743 /nfs/dbraw/zinc/51/97/43/719519743.db2.gz KLKNKJFKEGMFFG-UHFFFAOYSA-N 1 2 412.843 3.419 20 0 HGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2c(F)nc(F)nc2Cl)CC3)cc1 ZINC001164672555 719519750 /nfs/dbraw/zinc/51/97/50/719519750.db2.gz KLKNKJFKEGMFFG-UHFFFAOYSA-N 1 2 412.843 3.419 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cc(Cl)ccc2n1 ZINC001164706604 719842705 /nfs/dbraw/zinc/84/27/05/719842705.db2.gz XWNBBGMQAKJVBT-LAUBAEHRSA-N 1 2 403.910 3.121 20 0 HGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(C)ccc(F)c2cc1C ZINC001164698729 719860786 /nfs/dbraw/zinc/86/07/86/719860786.db2.gz DGRRMKWIHFDKQL-GAJHUEQPSA-N 1 2 415.509 3.223 20 0 HGADLO F[C@H](Oc1ccc(Cl)nc1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164769087 721274552 /nfs/dbraw/zinc/27/45/52/721274552.db2.gz OGRTYMQKKXYFJR-KUHUBIRLSA-N 1 2 403.845 3.169 20 0 HGADLO Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)n1 ZINC001164785483 721413894 /nfs/dbraw/zinc/41/38/94/721413894.db2.gz MRQKDVKCSIQKRX-IRXDYDNUSA-N 1 2 403.983 3.356 20 0 HGADLO Clc1cc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911912 721778370 /nfs/dbraw/zinc/77/83/70/721778370.db2.gz IGORBVZSEQWOAH-QHCPKHFHSA-N 1 2 424.932 3.391 20 0 HGADLO Clc1cc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911912 721778372 /nfs/dbraw/zinc/77/83/72/721778372.db2.gz IGORBVZSEQWOAH-QHCPKHFHSA-N 1 2 424.932 3.391 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nnc(Cl)c3ccc(F)cc32)CC1 ZINC001164919923 721820878 /nfs/dbraw/zinc/82/08/78/721820878.db2.gz YHKZJUDLSVTDIR-UHFFFAOYSA-N 1 2 400.889 3.368 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)cc(-c3ccncc3)n2)CC1 ZINC001164919139 721821139 /nfs/dbraw/zinc/82/11/39/721821139.db2.gz NLXVTYXOTSPWMR-UHFFFAOYSA-N 1 2 409.925 3.138 20 0 HGADLO Fc1cccc2c(Cl)nc(C(F)(F)N3CC[NH+](C[C@@H]4CCCO4)CC3)nc12 ZINC001165037409 721904645 /nfs/dbraw/zinc/90/46/45/721904645.db2.gz GLLWIRMUVFLGTO-LBPRGKRZSA-N 1 2 400.832 3.268 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc3c(Cl)cccc3n1)CC2 ZINC001164943756 721972660 /nfs/dbraw/zinc/97/26/60/721972660.db2.gz DMKRPIMZZQWEKE-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc3c(Cl)cccc3n1)CC2 ZINC001164943756 721972663 /nfs/dbraw/zinc/97/26/63/721972663.db2.gz DMKRPIMZZQWEKE-UHFFFAOYSA-N 1 2 421.932 3.254 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164946709 721977978 /nfs/dbraw/zinc/97/79/78/721977978.db2.gz KHJOLHZFHXUONP-UHFFFAOYSA-N 1 2 413.525 3.115 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc(-c3ccccc3)cn1)CC2 ZINC001164946709 721977982 /nfs/dbraw/zinc/97/79/82/721977982.db2.gz KHJOLHZFHXUONP-UHFFFAOYSA-N 1 2 413.525 3.115 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164948302 721978486 /nfs/dbraw/zinc/97/84/86/721978486.db2.gz XGCVHZPIOLEISE-UHFFFAOYSA-N 1 2 413.525 3.115 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(-c3ccccc3)ncn1)CC2 ZINC001164948302 721978489 /nfs/dbraw/zinc/97/84/89/721978489.db2.gz XGCVHZPIOLEISE-UHFFFAOYSA-N 1 2 413.525 3.115 20 0 HGADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(C(C)(C)C)n1 ZINC001164945578 721979689 /nfs/dbraw/zinc/97/96/89/721979689.db2.gz ARLSEBPQAZQTCF-UHFFFAOYSA-N 1 2 407.562 3.054 20 0 HGADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(C(C)(C)C)n1 ZINC001164945578 721979693 /nfs/dbraw/zinc/97/96/93/721979693.db2.gz ARLSEBPQAZQTCF-UHFFFAOYSA-N 1 2 407.562 3.054 20 0 HGADLO CC(C)c1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164950538 721980709 /nfs/dbraw/zinc/98/07/09/721980709.db2.gz VWQDAIBOXLUNIN-UHFFFAOYSA-N 1 2 413.953 3.224 20 0 HGADLO CC(C)c1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164950538 721980710 /nfs/dbraw/zinc/98/07/10/721980710.db2.gz VWQDAIBOXLUNIN-UHFFFAOYSA-N 1 2 413.953 3.224 20 0 HGADLO CCOC(=O)c1c(C)onc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC001473840051 1126200301 /nfs/dbraw/zinc/20/03/01/1126200301.db2.gz PDHHRPIEUKUJEE-SFHVURJKSA-N 1 2 411.296 3.006 20 0 HGADLO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CC(=O)Nc2ccccc21 ZINC000004966607 132297006 /nfs/dbraw/zinc/29/70/06/132297006.db2.gz QLQDZLBHMRIJJP-UHFFFAOYSA-N 1 2 406.511 3.461 20 0 HGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncncc1OC)CC2 ZINC001164663567 719348534 /nfs/dbraw/zinc/34/85/34/719348534.db2.gz KSTJNYBYFNNKOO-UHFFFAOYSA-N 1 2 404.518 3.180 20 0 HGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncncc1OC)CC2 ZINC001164663567 719348538 /nfs/dbraw/zinc/34/85/38/719348538.db2.gz KSTJNYBYFNNKOO-UHFFFAOYSA-N 1 2 404.518 3.180 20 0 HGADLO COC(=O)c1cc(C)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164666116 719495001 /nfs/dbraw/zinc/49/50/01/719495001.db2.gz BVUUCEHXLCROTQ-UHFFFAOYSA-N 1 2 413.493 3.187 20 0 HGADLO COC(=O)c1cc(C)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164666116 719495003 /nfs/dbraw/zinc/49/50/03/719495003.db2.gz BVUUCEHXLCROTQ-UHFFFAOYSA-N 1 2 413.493 3.187 20 0 HGADLO Cc1cnc2c(ccnc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164679270 719527908 /nfs/dbraw/zinc/52/79/08/719527908.db2.gz WPDMOQFRVKRZFQ-UHFFFAOYSA-N 1 2 407.493 3.344 20 0 HGADLO Cc1cnc2c(ccnc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164679270 719527917 /nfs/dbraw/zinc/52/79/17/719527917.db2.gz WPDMOQFRVKRZFQ-UHFFFAOYSA-N 1 2 407.493 3.344 20 0 HGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(Cl)cccc2n1 ZINC001164706353 719852876 /nfs/dbraw/zinc/85/28/76/719852876.db2.gz WNMUHYJHTMZPOX-BTYIYWSLSA-N 1 2 403.910 3.121 20 0 HGADLO FC(F)(c1cnc(Cl)cc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830474 720396668 /nfs/dbraw/zinc/39/66/68/720396668.db2.gz RCVLKAPOZBSQJJ-UHFFFAOYSA-N 1 2 414.247 3.180 20 0 HGADLO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164832121 720398016 /nfs/dbraw/zinc/39/80/16/720398016.db2.gz ZRBLGLRYHVUQFZ-UHFFFAOYSA-N 1 2 418.839 3.008 20 0 HGADLO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828613 720399329 /nfs/dbraw/zinc/39/93/29/720399329.db2.gz JEHVVLWSUXGHDE-UHFFFAOYSA-N 1 2 418.839 3.008 20 0 HGADLO F[C@@H](Oc1ccc(Cl)nc1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164769086 721274334 /nfs/dbraw/zinc/27/43/34/721274334.db2.gz OGRTYMQKKXYFJR-IFXJQAMLSA-N 1 2 403.845 3.169 20 0 HGADLO COc1ccc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164784225 721414678 /nfs/dbraw/zinc/41/46/78/721414678.db2.gz KVIWFLLTFWUAAR-VXGBXAGGSA-N 1 2 400.882 3.313 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001165011225 721696901 /nfs/dbraw/zinc/69/69/01/721696901.db2.gz ZKSATRKJLLXRDU-UHFFFAOYSA-N 1 2 420.295 3.170 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001165011225 721696908 /nfs/dbraw/zinc/69/69/08/721696908.db2.gz ZKSATRKJLLXRDU-UHFFFAOYSA-N 1 2 420.295 3.170 20 0 HGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1cccnc1Cl)C2 ZINC001165011689 721699338 /nfs/dbraw/zinc/69/93/38/721699338.db2.gz WAPRCSWXRPWVJW-UHFFFAOYSA-N 1 2 400.861 3.002 20 0 HGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1cccnc1Cl)C2 ZINC001165011689 721699341 /nfs/dbraw/zinc/69/93/41/721699341.db2.gz WAPRCSWXRPWVJW-UHFFFAOYSA-N 1 2 400.861 3.002 20 0 HGADLO Cc1cc(-c2ccccc2F)nnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009974 721719864 /nfs/dbraw/zinc/71/98/64/721719864.db2.gz CVTMIVOWEYZGJF-UHFFFAOYSA-N 1 2 409.513 3.433 20 0 HGADLO Cc1cc(-c2ccccc2F)nnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009974 721719867 /nfs/dbraw/zinc/71/98/67/721719867.db2.gz CVTMIVOWEYZGJF-UHFFFAOYSA-N 1 2 409.513 3.433 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nnc(Cl)cc2-c2ccncc2)CC1 ZINC001164917078 721813439 /nfs/dbraw/zinc/81/34/39/721813439.db2.gz KEAYYQYXNJLLED-UHFFFAOYSA-N 1 2 409.925 3.138 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(C(=O)Nc3ccccc3)ccn2)CC1 ZINC001164916852 721816214 /nfs/dbraw/zinc/81/62/14/721816214.db2.gz ISVQYZIVJBQFAL-UHFFFAOYSA-N 1 2 416.529 3.280 20 0 HGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c2ncn3C(C)C)CC1 ZINC001164918297 721817507 /nfs/dbraw/zinc/81/75/07/721817507.db2.gz MIGXWSDUVMCBLJ-UHFFFAOYSA-N 1 2 414.945 3.007 20 0 HGADLO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]ccc5ccccc54)CCO3)C2)cs1 ZINC001164922918 721824224 /nfs/dbraw/zinc/82/42/24/721824224.db2.gz HIRWSFQUWUBSGO-QFIPXVFZSA-N 1 2 410.543 3.108 20 0 HGADLO CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001165037780 721918567 /nfs/dbraw/zinc/91/85/67/721918567.db2.gz JQYWUGQVGMMVCE-GOSISDBHSA-N 1 2 417.623 3.451 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccccc3)nn1)CC2 ZINC001164944470 721970816 /nfs/dbraw/zinc/97/08/16/721970816.db2.gz JCGOOSLPAIDPSK-UHFFFAOYSA-N 1 2 413.525 3.115 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccccc3)nn1)CC2 ZINC001164944470 721970823 /nfs/dbraw/zinc/97/08/23/721970823.db2.gz JCGOOSLPAIDPSK-UHFFFAOYSA-N 1 2 413.525 3.115 20 0 HGADLO CSc1cc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947277 721977639 /nfs/dbraw/zinc/97/76/39/721977639.db2.gz OGGAQQIYDCYLGZ-UHFFFAOYSA-N 1 2 416.978 3.428 20 0 HGADLO CSc1cc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947277 721977640 /nfs/dbraw/zinc/97/76/40/721977640.db2.gz OGGAQQIYDCYLGZ-UHFFFAOYSA-N 1 2 416.978 3.428 20 0 HGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164945152 721978352 /nfs/dbraw/zinc/97/83/52/721978352.db2.gz DXJGUENAYFEZMD-UHFFFAOYSA-N 1 2 413.525 3.115 20 0 HGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccncc3)cn1)CC2 ZINC001164945152 721978354 /nfs/dbraw/zinc/97/83/54/721978354.db2.gz DXJGUENAYFEZMD-UHFFFAOYSA-N 1 2 413.525 3.115 20 0 HGADLO O=C(c1cnc(N2CC[NH+](CCc3ccccn3)CC2)c(Cl)c1)N1CCCCC1 ZINC001165056052 722017716 /nfs/dbraw/zinc/01/77/16/722017716.db2.gz UZFPZWYGSLNYBV-UHFFFAOYSA-N 1 2 413.953 3.121 20 0 HGADLO Cc1nc(CN2CCO[C@H]3CCN(c4nc(NC(C)C)c(C)c[nH+]4)CC[C@H]32)cs1 ZINC001164984824 722173495 /nfs/dbraw/zinc/17/34/95/722173495.db2.gz GCUMLUMFQNKLQJ-MOPGFXCFSA-N 1 2 416.595 3.240 20 0 HGADLO O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000426757590 1126088214 /nfs/dbraw/zinc/08/82/14/1126088214.db2.gz DQHPMXDVKVBNHX-SFHVURJKSA-N 1 2 400.276 3.420 20 0 HGADLO O=C([C@@H](c1ccccc1)N1Cc2ccccc2C1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000006779998 132315828 /nfs/dbraw/zinc/31/58/28/132315828.db2.gz CQZBQQHKCSAGRU-HSZRJFAPSA-N 1 2 412.493 3.128 20 0 HGADLO