smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(OC)n1 ZINC001164674441 719500397 /nfs/dbraw/zinc/50/03/97/719500397.db2.gz XIMKQQBMABEYRQ-UHFFFAOYSA-N 1 2 402.470 2.504 20 0 HFADLO COc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(OC)n1 ZINC001164674441 719500404 /nfs/dbraw/zinc/50/04/04/719500404.db2.gz XIMKQQBMABEYRQ-UHFFFAOYSA-N 1 2 402.470 2.504 20 0 HFADLO NC(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674448 719508733 /nfs/dbraw/zinc/50/87/33/719508733.db2.gz XPEROGOTBAISLP-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO NC(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164674448 719508738 /nfs/dbraw/zinc/50/87/38/719508738.db2.gz XPEROGOTBAISLP-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2nccc(Cl)c2cn1 ZINC001164704729 719852643 /nfs/dbraw/zinc/85/26/43/719852643.db2.gz SNXULJLDQRAFHB-JLTOFOAXSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2nccc(Cl)c2cn1 ZINC001164704732 719852880 /nfs/dbraw/zinc/85/28/80/719852880.db2.gz SNXULJLDQRAFHB-VLIAUNLRSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2ccc(Cl)nc2cn1 ZINC001164706039 719857074 /nfs/dbraw/zinc/85/70/74/719857074.db2.gz WJTBLIMTPIVMQC-QRWLVFNGSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2c3ccccc3oc21 ZINC001164702413 719860782 /nfs/dbraw/zinc/86/07/82/719860782.db2.gz MTUABVPFIDIAFD-HJPURHCSSA-N 1 2 424.501 2.917 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C(C)(C)C)n1 ZINC001164707149 719864422 /nfs/dbraw/zinc/86/44/22/719864422.db2.gz QUPABFDHKYVNBP-XOBRGWDASA-N 1 2 410.946 2.660 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc(C)c2)nn1 ZINC001164702369 719868706 /nfs/dbraw/zinc/86/87/06/719868706.db2.gz IPNPJUHYQNPKIW-WMZHIEFXSA-N 1 2 410.518 2.685 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(F)cc2)nn1 ZINC001164707153 719870653 /nfs/dbraw/zinc/87/06/53/719870653.db2.gz QURFCROKTCJSEB-GCJKJVERSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc(F)c2)nn1 ZINC001164699933 719872439 /nfs/dbraw/zinc/87/24/39/719872439.db2.gz CYUQEVXWGHMDPM-XMSQKQJNSA-N 1 2 414.481 2.515 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCO[C@@H]2[C@@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001164713921 720088228 /nfs/dbraw/zinc/08/82/28/720088228.db2.gz VEGGGUKHARSMJS-ZWOKBUDYSA-N 1 2 407.942 2.841 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCO[C@@H]2[C@@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001164713921 720088235 /nfs/dbraw/zinc/08/82/35/720088235.db2.gz VEGGGUKHARSMJS-ZWOKBUDYSA-N 1 2 407.942 2.841 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5ncccc54)CC3)C2=O)cs1 ZINC001164825798 720362004 /nfs/dbraw/zinc/36/20/04/720362004.db2.gz UUKWDRUBGHXUOK-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5ncccc54)CC3)C2=O)cs1 ZINC001164825798 720362014 /nfs/dbraw/zinc/36/20/14/720362014.db2.gz UUKWDRUBGHXUOK-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1S(C)(=O)=O)[C@@H]2C ZINC001164863385 720997777 /nfs/dbraw/zinc/99/77/77/720997777.db2.gz UVNGKCRSDWFXBU-CYBMUJFWSA-N 1 2 411.959 2.756 20 0 HFADLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1S(C)(=O)=O)[C@@H]2C ZINC001164863385 720997786 /nfs/dbraw/zinc/99/77/86/720997786.db2.gz UVNGKCRSDWFXBU-CYBMUJFWSA-N 1 2 411.959 2.756 20 0 HFADLO CCN1CC[C@]2(CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2C)C1=O ZINC001164777933 721317023 /nfs/dbraw/zinc/31/70/23/721317023.db2.gz NHICXVFAFQQRQF-HOYKHHGWSA-N 1 2 405.546 2.730 20 0 HFADLO CCN1CC[C@]2(CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2C)C1=O ZINC001164777933 721317026 /nfs/dbraw/zinc/31/70/26/721317026.db2.gz NHICXVFAFQQRQF-HOYKHHGWSA-N 1 2 405.546 2.730 20 0 HFADLO CN(C)c1cc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc(Cl)n1 ZINC001164788043 721435352 /nfs/dbraw/zinc/43/53/52/721435352.db2.gz RUDDOMJJRHDDRY-RYUDHWBXSA-N 1 2 414.913 2.766 20 0 HFADLO CN(C)c1cc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc(Cl)n1 ZINC001164788048 721435791 /nfs/dbraw/zinc/43/57/91/721435791.db2.gz RUDDOMJJRHDDRY-TXEJJXNPSA-N 1 2 414.913 2.766 20 0 HFADLO CN(C)c1cc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc(Cl)n1 ZINC001164788048 721435792 /nfs/dbraw/zinc/43/57/92/721435792.db2.gz RUDDOMJJRHDDRY-TXEJJXNPSA-N 1 2 414.913 2.766 20 0 HFADLO COc1nnc(Cl)cc1C(F)(F)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164790277 721437680 /nfs/dbraw/zinc/43/76/80/721437680.db2.gz XHJCBBKZBDXUTK-GHMZBOCLSA-N 1 2 401.870 2.708 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccnc(NC(=O)OC(C)(C)C)n1)C2 ZINC001165009665 721700693 /nfs/dbraw/zinc/70/06/93/721700693.db2.gz BVHRUUOIFFMHLV-UHFFFAOYSA-N 1 2 416.530 2.666 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccnc(NC(=O)OC(C)(C)C)n1)C2 ZINC001165009665 721700694 /nfs/dbraw/zinc/70/06/94/721700694.db2.gz BVHRUUOIFFMHLV-UHFFFAOYSA-N 1 2 416.530 2.666 20 0 HFADLO CCOC(=O)c1cc2ccnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2[nH]1 ZINC001165011314 721701077 /nfs/dbraw/zinc/70/10/77/721701077.db2.gz QUEPHTZIAMCFCU-UHFFFAOYSA-N 1 2 411.510 2.582 20 0 HFADLO CCOC(=O)c1cc2ccnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2[nH]1 ZINC001165011314 721701079 /nfs/dbraw/zinc/70/10/79/721701079.db2.gz QUEPHTZIAMCFCU-UHFFFAOYSA-N 1 2 411.510 2.582 20 0 HFADLO Cc1cc(Cl)c(C)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915200 721788733 /nfs/dbraw/zinc/78/87/33/721788733.db2.gz KAKCXUQLKVJGAH-NRFANRHFSA-N 1 2 402.926 2.855 20 0 HFADLO Cc1cc(Cl)c(C)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915200 721788736 /nfs/dbraw/zinc/78/87/36/721788736.db2.gz KAKCXUQLKVJGAH-NRFANRHFSA-N 1 2 402.926 2.855 20 0 HFADLO Fc1cccc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164916007 721791072 /nfs/dbraw/zinc/79/10/72/721791072.db2.gz NHYFAKCCZDKPNM-QHCPKHFHSA-N 1 2 408.477 2.877 20 0 HFADLO Fc1cccc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164916007 721791075 /nfs/dbraw/zinc/79/10/75/721791075.db2.gz NHYFAKCCZDKPNM-QHCPKHFHSA-N 1 2 408.477 2.877 20 0 HFADLO COC(=O)c1ccc2nc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)ccc2c1 ZINC001164918447 721814924 /nfs/dbraw/zinc/81/49/24/721814924.db2.gz YKZCFAHTMVFTHW-UHFFFAOYSA-N 1 2 405.502 2.967 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1CCC3)CC2 ZINC001164945665 721970103 /nfs/dbraw/zinc/97/01/03/721970103.db2.gz POCFKKXQAMNCJS-UHFFFAOYSA-N 1 2 411.937 2.590 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1CCC3)CC2 ZINC001164945665 721970107 /nfs/dbraw/zinc/97/01/07/721970107.db2.gz POCFKKXQAMNCJS-UHFFFAOYSA-N 1 2 411.937 2.590 20 0 HFADLO COc1ccc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947707 721974823 /nfs/dbraw/zinc/97/48/23/721974823.db2.gz QVYJLHNIEQJVNE-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO COc1ccc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947707 721974826 /nfs/dbraw/zinc/97/48/26/721974826.db2.gz QVYJLHNIEQJVNE-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(-c3ccccn3)ncn1)CC2 ZINC001164948263 721978717 /nfs/dbraw/zinc/97/87/17/721978717.db2.gz KLHTYVDEDBRWJK-UHFFFAOYSA-N 1 2 414.513 2.510 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(-c3ccccn3)ncn1)CC2 ZINC001164948263 721978720 /nfs/dbraw/zinc/97/87/20/721978720.db2.gz KLHTYVDEDBRWJK-UHFFFAOYSA-N 1 2 414.513 2.510 20 0 HFADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165056569 722016523 /nfs/dbraw/zinc/01/65/23/722016523.db2.gz WMACKTFLZDSWPU-UHFFFAOYSA-N 1 2 410.852 2.826 20 0 HFADLO Cc1nc(CN2CCO[C@H]3CCN(c4nc(NC5CC5)c(C)c[nH+]4)CC[C@H]32)cs1 ZINC001164986717 722173805 /nfs/dbraw/zinc/17/38/05/722173805.db2.gz LEDOZJBYTKYHQT-MOPGFXCFSA-N 1 2 414.579 2.994 20 0 HFADLO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000793009990 1078047764 /nfs/dbraw/zinc/04/77/64/1078047764.db2.gz YCEHLIKVHZGQOK-ACIOBRDBSA-N 1 2 409.530 2.794 20 0 HFADLO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3nnnn3C3CC3)C2=O)ccc1Br ZINC000790535781 1078053293 /nfs/dbraw/zinc/05/32/93/1078053293.db2.gz RZCBQULUYLAEBX-WBMJQRKESA-N 1 2 419.327 2.925 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000793045346 1078055139 /nfs/dbraw/zinc/05/51/39/1078055139.db2.gz MEWCAFOSCCEKIQ-NSHDSACASA-N 1 2 422.457 2.872 20 0 HFADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(F)(F)Cc1ccccc1 ZINC000793246490 1078109099 /nfs/dbraw/zinc/10/90/99/1078109099.db2.gz JEWIJNASVNWLRF-UHFFFAOYSA-N 1 2 404.457 2.892 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000793258159 1078112376 /nfs/dbraw/zinc/11/23/76/1078112376.db2.gz JJDHLZMNUMOVFZ-UHFFFAOYSA-N 1 2 415.309 2.521 20 0 HFADLO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000793335467 1078143024 /nfs/dbraw/zinc/14/30/24/1078143024.db2.gz UBNHLPZDQBYNPP-RTBURBONSA-N 1 2 423.351 2.992 20 0 HFADLO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000793335467 1078143026 /nfs/dbraw/zinc/14/30/26/1078143026.db2.gz UBNHLPZDQBYNPP-RTBURBONSA-N 1 2 423.351 2.992 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cs1 ZINC000793416359 1078177071 /nfs/dbraw/zinc/17/70/71/1078177071.db2.gz KVTHAGNNYZYUKM-AWEZNQCLSA-N 1 2 405.524 2.884 20 0 HFADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793492916 1078201039 /nfs/dbraw/zinc/20/10/39/1078201039.db2.gz YJPSQASFEZLRBW-HDICACEKSA-N 1 2 401.426 2.865 20 0 HFADLO C[N@@H+]1CCN(Cc2ncc(Br)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604135 1078221589 /nfs/dbraw/zinc/22/15/89/1078221589.db2.gz OKHIADGWRMTCFV-NSHDSACASA-N 1 2 405.362 2.546 20 0 HFADLO C[N@H+]1CCN(Cc2ncc(Br)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604135 1078221593 /nfs/dbraw/zinc/22/15/93/1078221593.db2.gz OKHIADGWRMTCFV-NSHDSACASA-N 1 2 405.362 2.546 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000793622589 1078230522 /nfs/dbraw/zinc/23/05/22/1078230522.db2.gz VZMWKYQHMXYONF-RTBURBONSA-N 1 2 419.485 2.708 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000793622589 1078230526 /nfs/dbraw/zinc/23/05/26/1078230526.db2.gz VZMWKYQHMXYONF-RTBURBONSA-N 1 2 419.485 2.708 20 0 HFADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[NH+]3CCC(C4CC4)CC3)c(=S)n2c1 ZINC000793631540 1078234788 /nfs/dbraw/zinc/23/47/88/1078234788.db2.gz NPIDKKWGPQMSNA-UHFFFAOYSA-N 1 2 423.608 2.975 20 0 HFADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793668315 1078245752 /nfs/dbraw/zinc/24/57/52/1078245752.db2.gz FQPAEZVLCKGURZ-RTBURBONSA-N 1 2 415.453 2.542 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(Br)nc2)[C@@H]1c1c[nH+]cn1C ZINC000793683733 1078254754 /nfs/dbraw/zinc/25/47/54/1078254754.db2.gz UFUUMXAUKXXNQI-CXAGYDPISA-N 1 2 420.311 2.906 20 0 HFADLO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000793716169 1078262933 /nfs/dbraw/zinc/26/29/33/1078262933.db2.gz XSUOOSRJUIILMC-UIAACRFSSA-N 1 2 415.921 2.785 20 0 HFADLO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000793716169 1078262935 /nfs/dbraw/zinc/26/29/35/1078262935.db2.gz XSUOOSRJUIILMC-UIAACRFSSA-N 1 2 415.921 2.785 20 0 HFADLO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3ccccc3-n3cc[nH+]c3)C2)cc1 ZINC000793715976 1078263324 /nfs/dbraw/zinc/26/33/24/1078263324.db2.gz BJNVISHPIQSNOW-FQEVSTJZSA-N 1 2 417.513 2.582 20 0 HFADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000793721616 1078266111 /nfs/dbraw/zinc/26/61/11/1078266111.db2.gz YSDPARFYXQMEBD-MJGOQNOKSA-N 1 2 424.526 2.665 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CN3C(=O)NC4(CCCCCC4)C3=O)CC[C@H]21 ZINC000793725529 1078267351 /nfs/dbraw/zinc/26/73/51/1078267351.db2.gz WNPLZAKCOMPYHS-DLBZAZTESA-N 1 2 420.554 2.920 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CN3C(=O)NC4(CCCCCC4)C3=O)CC[C@H]21 ZINC000793725529 1078267354 /nfs/dbraw/zinc/26/73/54/1078267354.db2.gz WNPLZAKCOMPYHS-DLBZAZTESA-N 1 2 420.554 2.920 20 0 HFADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000793725970 1078267487 /nfs/dbraw/zinc/26/74/87/1078267487.db2.gz KVQDQIVXSGITPM-MRXNPFEDSA-N 1 2 408.424 2.814 20 0 HFADLO CC[C@]1(C(C)C)NC(=O)N(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793725608 1078267866 /nfs/dbraw/zinc/26/78/66/1078267866.db2.gz XGOAZURSQPTBBV-GCKMJXCFSA-N 1 2 408.543 2.632 20 0 HFADLO CC[C@]1(C(C)C)NC(=O)N(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793725608 1078267872 /nfs/dbraw/zinc/26/78/72/1078267872.db2.gz XGOAZURSQPTBBV-GCKMJXCFSA-N 1 2 408.543 2.632 20 0 HFADLO Cc1ccc(CCNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c(C)c1 ZINC000793759456 1078279484 /nfs/dbraw/zinc/27/94/84/1078279484.db2.gz GEYJXZKMLXFMQZ-UHFFFAOYSA-N 1 2 422.573 2.813 20 0 HFADLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000793770148 1078306882 /nfs/dbraw/zinc/30/68/82/1078306882.db2.gz QOEDKKKIXOEMNC-HUUCEWRRSA-N 1 2 405.905 2.697 20 0 HFADLO NC(=NOCc1cccc(Br)n1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000793835808 1078310692 /nfs/dbraw/zinc/31/06/92/1078310692.db2.gz OVWOVRISOFRUAS-UHFFFAOYSA-N 1 2 405.296 2.723 20 0 HFADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000793862513 1078326467 /nfs/dbraw/zinc/32/64/67/1078326467.db2.gz RWANJPDLJNLYAD-UHFFFAOYSA-N 1 2 415.534 2.768 20 0 HFADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000793862513 1078326472 /nfs/dbraw/zinc/32/64/72/1078326472.db2.gz RWANJPDLJNLYAD-UHFFFAOYSA-N 1 2 415.534 2.768 20 0 HFADLO CN(C)c1ccc(C2CCN(C(=O)C(=O)NCC[NH+]3Cc4ccccc4C3)CC2)cc1 ZINC000793868878 1078328516 /nfs/dbraw/zinc/32/85/16/1078328516.db2.gz VSZNJKPJTMLYJM-UHFFFAOYSA-N 1 2 420.557 2.591 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000793913711 1078336889 /nfs/dbraw/zinc/33/68/89/1078336889.db2.gz INLJWNWJJUIPFM-KRWDZBQOSA-N 1 2 412.852 2.565 20 0 HFADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793969139 1078349279 /nfs/dbraw/zinc/34/92/79/1078349279.db2.gz AWFKEGIQVWYKCI-CQSZACIVSA-N 1 2 419.551 2.964 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c(C)cc1F ZINC000794018390 1078362041 /nfs/dbraw/zinc/36/20/41/1078362041.db2.gz OSXXEARPIORZDR-UHFFFAOYSA-N 1 2 404.423 2.611 20 0 HFADLO O=C(Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1)c1cccc2[nH+]ccn21 ZINC000794056776 1078366919 /nfs/dbraw/zinc/36/69/19/1078366919.db2.gz CYFKYGOALJFJTG-UHFFFAOYSA-N 1 2 407.455 2.924 20 0 HFADLO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001170442431 1078368034 /nfs/dbraw/zinc/36/80/34/1078368034.db2.gz MPRXCTPTTAFCQP-GOSISDBHSA-N 1 2 402.516 2.743 20 0 HFADLO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)[C@H]2C1 ZINC000794186809 1078382657 /nfs/dbraw/zinc/38/26/57/1078382657.db2.gz ZKYYSTRMNBCUTG-VSIKAASHSA-N 1 2 411.546 2.957 20 0 HFADLO C[C@@]1(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCN(C(=O)OCc2ccccc2)C1 ZINC000794221778 1078386153 /nfs/dbraw/zinc/38/61/53/1078386153.db2.gz GTPKJRRUKFOSAO-JOCHJYFZSA-N 1 2 405.458 2.798 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804435418 1078478125 /nfs/dbraw/zinc/47/81/25/1078478125.db2.gz DKSZQCCNCHYCFG-QRQLOZEOSA-N 1 2 403.523 2.574 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H](OCC2CCCC2)c2ccccc2)CC1 ZINC001129822666 1078517400 /nfs/dbraw/zinc/51/74/00/1078517400.db2.gz HDQRYYAHMPERPE-QFIPXVFZSA-N 1 2 404.551 2.740 20 0 HFADLO CN(C)C(=O)[C@H]1CCN(C(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001129825633 1078519148 /nfs/dbraw/zinc/51/91/48/1078519148.db2.gz WDRSXHQEHZQIPG-RDJZCZTQSA-N 1 2 408.340 2.523 20 0 HFADLO Cc1cc(C)c(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1I ZINC001129857002 1078536791 /nfs/dbraw/zinc/53/67/91/1078536791.db2.gz CSLCNFXZQZCXNQ-UHFFFAOYSA-N 1 2 416.303 2.749 20 0 HFADLO CCc1ccc(-c2nc(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)cs2)cc1 ZINC001129557153 1078541799 /nfs/dbraw/zinc/54/17/99/1078541799.db2.gz YNGMZUXDASLDSV-UHFFFAOYSA-N 1 2 415.559 2.984 20 0 HFADLO Cc1cccc2cc(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)c(Cl)nc12 ZINC001129554723 1078544884 /nfs/dbraw/zinc/54/48/84/1078544884.db2.gz CKJVJYUPQORWPT-UHFFFAOYSA-N 1 2 403.910 2.808 20 0 HFADLO Cc1c(Br)ccc(F)c1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001129555389 1078545830 /nfs/dbraw/zinc/54/58/30/1078545830.db2.gz LFNNECNWAJWBEC-UHFFFAOYSA-N 1 2 415.303 2.508 20 0 HFADLO C[C@]1(C2CC2)NC(=O)N(c2ccc(CNc3cc(N4CCCC4)nc[nH+]3)cc2)C1=O ZINC000804703125 1078567866 /nfs/dbraw/zinc/56/78/66/1078567866.db2.gz SKRAUSFJJOGUPJ-JOCHJYFZSA-N 1 2 406.490 2.914 20 0 HFADLO C[C@]1(C2CC2)NC(=O)N(c2ccc(CNc3cc(N4CCCC4)[nH+]cn3)cc2)C1=O ZINC000804703125 1078567872 /nfs/dbraw/zinc/56/78/72/1078567872.db2.gz SKRAUSFJJOGUPJ-JOCHJYFZSA-N 1 2 406.490 2.914 20 0 HFADLO C[C@@H]1CCC[C@@H](OCC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000804762432 1078613951 /nfs/dbraw/zinc/61/39/51/1078613951.db2.gz SPBLSGFGFIBCAH-CEXWTWQISA-N 1 2 409.571 2.735 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CCCc3ccccn3)C2)CC1 ZINC000804762156 1078614433 /nfs/dbraw/zinc/61/44/33/1078614433.db2.gz FXIIPCLULMTEEO-LJQANCHMSA-N 1 2 402.539 2.558 20 0 HFADLO CCCC(O)(CCC)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804762455 1078613317 /nfs/dbraw/zinc/61/33/17/1078613317.db2.gz IKMTVLWGSCWLKO-SFHVURJKSA-N 1 2 411.587 2.861 20 0 HFADLO CC(=O)[C@@H](C)CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804762934 1078616863 /nfs/dbraw/zinc/61/68/63/1078616863.db2.gz MVDVLFJBEAHPAV-HKUYNNGSSA-N 1 2 409.571 2.926 20 0 HFADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)Nc2nc3c(c(=O)[nH]2)CCCC3)c1 ZINC001129639097 1078616871 /nfs/dbraw/zinc/61/68/71/1078616871.db2.gz JDPAULLKXITSEU-UHFFFAOYSA-N 1 2 406.446 2.539 20 0 HFADLO CC(C)c1cc(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc(=O)[nH]1 ZINC000804764874 1078622592 /nfs/dbraw/zinc/62/25/92/1078622592.db2.gz PXNOXRTWRRWGDX-QGZVFWFLSA-N 1 2 418.538 2.678 20 0 HFADLO CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC001170459156 1078652330 /nfs/dbraw/zinc/65/23/30/1078652330.db2.gz ACNQGJSYZVZGRV-IBGZPJMESA-N 1 2 410.486 2.614 20 0 HFADLO CS(=O)(=O)c1ccc([C@@H](O)C[N@H+]2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC001170459156 1078652333 /nfs/dbraw/zinc/65/23/33/1078652333.db2.gz ACNQGJSYZVZGRV-IBGZPJMESA-N 1 2 410.486 2.614 20 0 HFADLO C[C@@H](CCc1ccco1)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804870605 1078693447 /nfs/dbraw/zinc/69/34/47/1078693447.db2.gz FFSYYYHAQJTDPX-ROUUACIJSA-N 1 2 420.554 2.937 20 0 HFADLO COCc1ccccc1CS(=O)(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000805016813 1078827340 /nfs/dbraw/zinc/82/73/40/1078827340.db2.gz LIYNOTDTIDXYPG-UHFFFAOYSA-N 1 2 417.575 2.987 20 0 HFADLO O=S(=O)(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1cnc(Cl)c(F)c1 ZINC000805077847 1078908994 /nfs/dbraw/zinc/90/89/94/1078908994.db2.gz DSQIMEXARHRCMT-CQSZACIVSA-N 1 2 415.943 2.770 20 0 HFADLO O=S(=O)(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1cnc(Cl)c(F)c1 ZINC000805077847 1078908998 /nfs/dbraw/zinc/90/89/98/1078908998.db2.gz DSQIMEXARHRCMT-CQSZACIVSA-N 1 2 415.943 2.770 20 0 HFADLO CC(C)COc1ccc(CCNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000805143799 1078943212 /nfs/dbraw/zinc/94/32/12/1078943212.db2.gz NHGFLYLFEBORGG-IBGZPJMESA-N 1 2 412.534 2.520 20 0 HFADLO Cc1nc(Cl)c(Cl)cc1C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000805164654 1078955091 /nfs/dbraw/zinc/95/50/91/1078955091.db2.gz QTXXWAPJGHHOAN-UHFFFAOYSA-N 1 2 407.301 2.754 20 0 HFADLO CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000805199857 1078972010 /nfs/dbraw/zinc/97/20/10/1078972010.db2.gz GQHWGHQHERZFIQ-RCCFBDPRSA-N 1 2 412.575 2.575 20 0 HFADLO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H]1C(=O)OC(C)(C)C ZINC001130142417 1079013803 /nfs/dbraw/zinc/01/38/03/1079013803.db2.gz DMUIQXNYSFYVPF-LPHOPBHVSA-N 1 2 404.555 2.601 20 0 HFADLO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@H]1C(=O)OC(C)(C)C ZINC001130142419 1079013865 /nfs/dbraw/zinc/01/38/65/1079013865.db2.gz DMUIQXNYSFYVPF-VQIMIIECSA-N 1 2 404.555 2.601 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NOCc1ccc(F)cc1Br ZINC000805319571 1079017787 /nfs/dbraw/zinc/01/77/87/1079017787.db2.gz VHMXCKVIAXOEIP-SWLSCSKDSA-N 1 2 416.291 2.524 20 0 HFADLO COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000747238716 1079022973 /nfs/dbraw/zinc/02/29/73/1079022973.db2.gz JQLNGSDFTLHBKR-DHZHZOJOSA-N 1 2 411.483 2.596 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000805474136 1079090863 /nfs/dbraw/zinc/09/08/63/1079090863.db2.gz OBKZLBIIZFRTHK-IINYFYTJSA-N 1 2 408.804 2.950 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000805474136 1079090866 /nfs/dbraw/zinc/09/08/66/1079090866.db2.gz OBKZLBIIZFRTHK-IINYFYTJSA-N 1 2 408.804 2.950 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)OCc2c(C)cc(C)nc2OC)[C@@H]1c1c[nH+]cn1C ZINC000805550028 1079136939 /nfs/dbraw/zinc/13/69/39/1079136939.db2.gz SFCLWEVNPLOOJK-OXQOHEQNSA-N 1 2 414.506 2.874 20 0 HFADLO O=C(C[N@@H+]1CC[C@@H](OCc2ccncc2)C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000805753009 1079231671 /nfs/dbraw/zinc/23/16/71/1079231671.db2.gz LVNSPYCYTUYOAN-HXUWFJFHSA-N 1 2 422.529 2.984 20 0 HFADLO O=C(C[N@H+]1CC[C@@H](OCc2ccncc2)C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000805753009 1079231677 /nfs/dbraw/zinc/23/16/77/1079231677.db2.gz LVNSPYCYTUYOAN-HXUWFJFHSA-N 1 2 422.529 2.984 20 0 HFADLO Cc1cc(C)c(CN2CC[NH+](CC[S@](C)=O)CC2)c(OCc2ccccc2)n1 ZINC000805745703 1079245034 /nfs/dbraw/zinc/24/50/34/1079245034.db2.gz FGFAGWYPCUFZMM-NDEPHWFRSA-N 1 2 401.576 2.774 20 0 HFADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000805782623 1079250947 /nfs/dbraw/zinc/25/09/47/1079250947.db2.gz ZBFSOJMXSCZLHF-ZKMNFCBKSA-N 1 2 420.535 2.844 20 0 HFADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000805782623 1079250954 /nfs/dbraw/zinc/25/09/54/1079250954.db2.gz ZBFSOJMXSCZLHF-ZKMNFCBKSA-N 1 2 420.535 2.844 20 0 HFADLO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805785681 1079252144 /nfs/dbraw/zinc/25/21/44/1079252144.db2.gz LMVHIJPBEMWPKO-CUSZFKRNSA-N 1 2 402.457 2.821 20 0 HFADLO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805785681 1079252150 /nfs/dbraw/zinc/25/21/50/1079252150.db2.gz LMVHIJPBEMWPKO-CUSZFKRNSA-N 1 2 402.457 2.821 20 0 HFADLO C[C@H]1CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787920 1079255663 /nfs/dbraw/zinc/25/56/63/1079255663.db2.gz CNBXIDNKENKNMR-MMPTUQATSA-N 1 2 404.408 2.514 20 0 HFADLO C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787920 1079255665 /nfs/dbraw/zinc/25/56/65/1079255665.db2.gz CNBXIDNKENKNMR-MMPTUQATSA-N 1 2 404.408 2.514 20 0 HFADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)NCCOc1cccc(Cl)c1 ZINC000805801600 1079280422 /nfs/dbraw/zinc/28/04/22/1079280422.db2.gz LXSZEVSFITWXIY-YOEHRIQHSA-N 1 2 411.930 2.823 20 0 HFADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)NCCOc1cccc(Cl)c1 ZINC000805801600 1079280427 /nfs/dbraw/zinc/28/04/27/1079280427.db2.gz LXSZEVSFITWXIY-YOEHRIQHSA-N 1 2 411.930 2.823 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CCc4ccccc43)CC2)cc1 ZINC000805954890 1079372648 /nfs/dbraw/zinc/37/26/48/1079372648.db2.gz OJHNVLKHBJBKSN-LJQANCHMSA-N 1 2 420.557 2.684 20 0 HFADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000787332724 1076744946 /nfs/dbraw/zinc/74/49/46/1076744946.db2.gz VISYCFZDAHYAFM-SGXKBVARSA-N 1 2 420.513 2.772 20 0 HFADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 ZINC000787332724 1076744952 /nfs/dbraw/zinc/74/49/52/1076744952.db2.gz VISYCFZDAHYAFM-SGXKBVARSA-N 1 2 420.513 2.772 20 0 HFADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787333186 1076746034 /nfs/dbraw/zinc/74/60/34/1076746034.db2.gz WHQZYIUFGDDBPB-ZVGUJKQYSA-N 1 2 424.476 2.602 20 0 HFADLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787333186 1076746038 /nfs/dbraw/zinc/74/60/38/1076746038.db2.gz WHQZYIUFGDDBPB-ZVGUJKQYSA-N 1 2 424.476 2.602 20 0 HFADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)CC1 ZINC000787341807 1076785801 /nfs/dbraw/zinc/78/58/01/1076785801.db2.gz XMHXQWQUDNHFNK-UHFFFAOYSA-N 1 2 409.939 2.574 20 0 HFADLO CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000787355715 1076795030 /nfs/dbraw/zinc/79/50/30/1076795030.db2.gz HWFRYSQEDBTFPE-GOSISDBHSA-N 1 2 404.555 2.618 20 0 HFADLO CN(CCCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000787355715 1076795037 /nfs/dbraw/zinc/79/50/37/1076795037.db2.gz HWFRYSQEDBTFPE-GOSISDBHSA-N 1 2 404.555 2.618 20 0 HFADLO C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)c1cnn(C)c1 ZINC000787384854 1076803173 /nfs/dbraw/zinc/80/31/73/1076803173.db2.gz XEKVTVIFKFRWQJ-CYBMUJFWSA-N 1 2 406.328 2.677 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCc4c[nH]nc4C3)cc2Br)CC1 ZINC000787532108 1076850625 /nfs/dbraw/zinc/85/06/25/1076850625.db2.gz FPPFBIIGQKZXJN-CYBMUJFWSA-N 1 2 418.339 2.668 20 0 HFADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787704153 1076918834 /nfs/dbraw/zinc/91/88/34/1076918834.db2.gz FACJAVYFOISYNO-OXJNMPFZSA-N 1 2 411.930 2.971 20 0 HFADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787704153 1076918837 /nfs/dbraw/zinc/91/88/37/1076918837.db2.gz FACJAVYFOISYNO-OXJNMPFZSA-N 1 2 411.930 2.971 20 0 HFADLO Cc1sccc1CC(=O)OCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000787862945 1076986026 /nfs/dbraw/zinc/98/60/26/1076986026.db2.gz JBYOUJLNBYIBBX-UHFFFAOYSA-N 1 2 416.547 2.713 20 0 HFADLO Cc1ccc(NC(=O)C(=O)NCc2cccc(C)c2Br)c(N(C)C)[nH+]1 ZINC000787904015 1076988990 /nfs/dbraw/zinc/98/89/90/1076988990.db2.gz ANVCEVRSVTUXQS-UHFFFAOYSA-N 1 2 405.296 2.782 20 0 HFADLO C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788002711 1077024745 /nfs/dbraw/zinc/02/47/45/1077024745.db2.gz HXHNNBONFCYADC-INIZCTEOSA-N 1 2 401.511 2.680 20 0 HFADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004190 1077026247 /nfs/dbraw/zinc/02/62/47/1077026247.db2.gz KZMBOZPKPFUAIS-OAHLLOKOSA-N 1 2 409.502 2.813 20 0 HFADLO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788003960 1077026565 /nfs/dbraw/zinc/02/65/65/1077026565.db2.gz HOSHOHRTXGAOAJ-QGZVFWFLSA-N 1 2 405.539 2.982 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1c(Cl)ncnc1N(C)C ZINC000788018718 1077029952 /nfs/dbraw/zinc/02/99/52/1077029952.db2.gz GZXJRTIJIGZZBY-QGZVFWFLSA-N 1 2 403.958 2.919 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000788153319 1077069962 /nfs/dbraw/zinc/06/99/62/1077069962.db2.gz GIJVGHMLBBVIBP-BDTNDASRSA-N 1 2 419.481 2.924 20 0 HFADLO COC(=O)N1CCN(c2cc[nH+]cc2NS(=O)(=O)/C=C\c2ccccc2F)CC1 ZINC000788206016 1077079409 /nfs/dbraw/zinc/07/94/09/1077079409.db2.gz SPTAGYXCPMVIIJ-QPEQYQDCSA-N 1 2 420.466 2.522 20 0 HFADLO CN(C)c1ccc(N2C(=O)C[C@H](N3CCC(c4[nH+]cc5n4CCCC5)CC3)C2=O)cc1 ZINC000788332931 1077105087 /nfs/dbraw/zinc/10/50/87/1077105087.db2.gz YQDUDPPGDHQYLX-NRFANRHFSA-N 1 2 421.545 2.797 20 0 HFADLO O=C1C[C@@]2(CCSC2)C(=O)N1C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788372453 1077132053 /nfs/dbraw/zinc/13/20/53/1077132053.db2.gz JOOSODYWXDVRAT-LJQANCHMSA-N 1 2 409.939 2.666 20 0 HFADLO C[C@]1(c2cccc(Cl)c2)NC(=O)N(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000788380705 1077135700 /nfs/dbraw/zinc/13/57/00/1077135700.db2.gz LZHFZQKBCTUBOG-YLJYHZDGSA-N 1 2 400.866 2.613 20 0 HFADLO O[C@H](Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1)c1ccc(Cl)c(F)c1 ZINC000788426028 1077141997 /nfs/dbraw/zinc/14/19/97/1077141997.db2.gz NFVJFVICBRRSHS-MOPGFXCFSA-N 1 2 417.872 2.773 20 0 HFADLO O[C@H](Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)c1ccc(Cl)c(F)c1 ZINC000788426028 1077141999 /nfs/dbraw/zinc/14/19/99/1077141999.db2.gz NFVJFVICBRRSHS-MOPGFXCFSA-N 1 2 417.872 2.773 20 0 HFADLO O=C(NCc1csc(-c2ccccc2)n1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000788460690 1077166652 /nfs/dbraw/zinc/16/66/52/1077166652.db2.gz HNSGVQBJXIJRSD-UHFFFAOYSA-N 1 2 417.494 2.928 20 0 HFADLO COC(=O)CS(=O)(=O)Cc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000788523209 1077190911 /nfs/dbraw/zinc/19/09/11/1077190911.db2.gz HVHIICPPJWUUOW-UHFFFAOYSA-N 1 2 422.450 2.540 20 0 HFADLO CC(C)Oc1cccc([C@@H](NC2CC[NH+](CCS(C)(=O)=O)CC2)C(F)F)c1 ZINC000788589395 1077214694 /nfs/dbraw/zinc/21/46/94/1077214694.db2.gz BGQMRVQZXUGOOP-GOSISDBHSA-N 1 2 404.523 2.879 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000788603575 1077220715 /nfs/dbraw/zinc/22/07/15/1077220715.db2.gz GNSKHNWXEFAETA-AWEZNQCLSA-N 1 2 402.303 2.781 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1Cl ZINC000788650527 1077226170 /nfs/dbraw/zinc/22/61/70/1077226170.db2.gz TVKYBGORZDBSKB-CMPLNLGQSA-N 1 2 417.940 2.965 20 0 HFADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000790904925 1077243628 /nfs/dbraw/zinc/24/36/28/1077243628.db2.gz LJRKAUPPOCJDFB-FQEVSTJZSA-N 1 2 401.426 2.534 20 0 HFADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000790904925 1077243633 /nfs/dbraw/zinc/24/36/33/1077243633.db2.gz LJRKAUPPOCJDFB-FQEVSTJZSA-N 1 2 401.426 2.534 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(C)c1Cl ZINC000788679372 1077247594 /nfs/dbraw/zinc/24/75/94/1077247594.db2.gz GPJZUDNTBIBEPI-LBPRGKRZSA-N 1 2 406.957 2.792 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c(C)c1Cl ZINC000788679372 1077247598 /nfs/dbraw/zinc/24/75/98/1077247598.db2.gz GPJZUDNTBIBEPI-LBPRGKRZSA-N 1 2 406.957 2.792 20 0 HFADLO C[NH+](C)[C@H](CNC(=O)NCCS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000746758277 1077263608 /nfs/dbraw/zinc/26/36/08/1077263608.db2.gz VFFGSPVEWOQZII-LJQANCHMSA-N 1 2 423.966 2.857 20 0 HFADLO O=c1ccc2cc(S(=O)(=O)N3CCC(c4[nH+]cc5n4CCCC5)CC3)ccc2o1 ZINC000788701802 1077264224 /nfs/dbraw/zinc/26/42/24/1077264224.db2.gz FAPDAFTUDNCHLI-UHFFFAOYSA-N 1 2 413.499 2.894 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)/C=C/c1ccccc1Br ZINC000788697202 1077275200 /nfs/dbraw/zinc/27/52/00/1077275200.db2.gz IZMSQXDEXGFMEX-MDWZMJQESA-N 1 2 417.369 2.792 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)/C=C/c1ccccc1Br ZINC000788697202 1077275206 /nfs/dbraw/zinc/27/52/06/1077275206.db2.gz IZMSQXDEXGFMEX-MDWZMJQESA-N 1 2 417.369 2.792 20 0 HFADLO Cc1cc(C(=O)NC2CC[NH+](CN3C(=O)C[C@@H](Cc4ccccc4)C3=O)CC2)c(C)o1 ZINC000788769955 1077283034 /nfs/dbraw/zinc/28/30/34/1077283034.db2.gz GYQCDZRXPOZIOM-LJQANCHMSA-N 1 2 423.513 2.666 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)NCCc3cn4c([nH+]3)CCCC4)C2=O)c(C)c1 ZINC000788732749 1077284965 /nfs/dbraw/zinc/28/49/65/1077284965.db2.gz FRHTYYPAMIURGA-IBGZPJMESA-N 1 2 409.534 2.792 20 0 HFADLO Cc1cc(C)c(N2CC[C@@H](NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2=O)c(C)c1 ZINC000788817478 1077307047 /nfs/dbraw/zinc/30/70/47/1077307047.db2.gz BPMKEOUVESRKPN-RTBURBONSA-N 1 2 407.518 2.690 20 0 HFADLO O=C(OCc1ccccc1)N1CC[C@@](F)(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000788835120 1077315031 /nfs/dbraw/zinc/31/50/31/1077315031.db2.gz RCXLRTPQGZXTSU-KNQAVFIVSA-N 1 2 413.449 2.812 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC[C@H](Cc4cnn(C)c4)C3)CC2)cc1 ZINC000746773413 1077337932 /nfs/dbraw/zinc/33/79/32/1077337932.db2.gz WAVQAPOWJTXIGW-GOSISDBHSA-N 1 2 410.566 2.729 20 0 HFADLO NC(=O)c1cccc(OCCC(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000791273030 1077355166 /nfs/dbraw/zinc/35/51/66/1077355166.db2.gz MECSQDMLJVISLU-KRWDZBQOSA-N 1 2 410.518 2.999 20 0 HFADLO NC(=O)c1cccc(OCCC(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000791273030 1077355171 /nfs/dbraw/zinc/35/51/71/1077355171.db2.gz MECSQDMLJVISLU-KRWDZBQOSA-N 1 2 410.518 2.999 20 0 HFADLO NC(=O)c1cccc(OCCC(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000791273032 1077355350 /nfs/dbraw/zinc/35/53/50/1077355350.db2.gz MECSQDMLJVISLU-QGZVFWFLSA-N 1 2 410.518 2.999 20 0 HFADLO NC(=O)c1cccc(OCCC(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000791273032 1077355355 /nfs/dbraw/zinc/35/53/55/1077355355.db2.gz MECSQDMLJVISLU-QGZVFWFLSA-N 1 2 410.518 2.999 20 0 HFADLO CNC(=O)COc1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1OC ZINC000791346243 1077381530 /nfs/dbraw/zinc/38/15/30/1077381530.db2.gz QRTPEDXXLJHGSL-UHFFFAOYSA-N 1 2 409.442 2.671 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000788980812 1077382690 /nfs/dbraw/zinc/38/26/90/1077382690.db2.gz MJNJTNWEOXQNDJ-FUHWJXTLSA-N 1 2 404.511 2.891 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000791362847 1077393934 /nfs/dbraw/zinc/39/39/34/1077393934.db2.gz DBNDLKJQHKBMSU-RTWAWAEBSA-N 1 2 423.444 2.639 20 0 HFADLO C[C@H](CN1CCOCC1)[N@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccccc1 ZINC000791458735 1077433286 /nfs/dbraw/zinc/43/32/86/1077433286.db2.gz LXASAORJKYFFEK-OAQYLSRUSA-N 1 2 416.587 2.824 20 0 HFADLO C[C@H](CN1CCOCC1)[N@@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccccc1 ZINC000791458735 1077433290 /nfs/dbraw/zinc/43/32/90/1077433290.db2.gz LXASAORJKYFFEK-OAQYLSRUSA-N 1 2 416.587 2.824 20 0 HFADLO O=C(COC(=O)c1[nH]nc2c1CCCCC2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000789165609 1077440275 /nfs/dbraw/zinc/44/02/75/1077440275.db2.gz SEJGLSNZMWZYHK-UHFFFAOYSA-N 1 2 410.518 2.748 20 0 HFADLO O=C(Nc1cccc(COc2ccccc2)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000746788798 1077444662 /nfs/dbraw/zinc/44/46/62/1077444662.db2.gz HKTJHORATMQHIP-QFIPXVFZSA-N 1 2 423.513 2.527 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C2)c1 ZINC000791568978 1077464477 /nfs/dbraw/zinc/46/44/77/1077464477.db2.gz QWOQNPLEAHDRBI-JOCHJYFZSA-N 1 2 420.469 2.758 20 0 HFADLO CCc1nnc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1 ZINC001086600349 1077506624 /nfs/dbraw/zinc/50/66/24/1077506624.db2.gz OYUVUXIUISBIHJ-QNWIWVDPSA-N 1 2 424.570 2.608 20 0 HFADLO CCc1nnc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1 ZINC001086600349 1077506626 /nfs/dbraw/zinc/50/66/26/1077506626.db2.gz OYUVUXIUISBIHJ-QNWIWVDPSA-N 1 2 424.570 2.608 20 0 HFADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000791645672 1077509447 /nfs/dbraw/zinc/50/94/47/1077509447.db2.gz LQOYSEIIUMQWCD-ICSRJNTNSA-N 1 2 413.470 2.753 20 0 HFADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000791645672 1077509450 /nfs/dbraw/zinc/50/94/50/1077509450.db2.gz LQOYSEIIUMQWCD-ICSRJNTNSA-N 1 2 413.470 2.753 20 0 HFADLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)c2cc(Br)ccc2n1 ZINC001170101729 1077515670 /nfs/dbraw/zinc/51/56/70/1077515670.db2.gz LCZFBEHSTKWYLE-SFHVURJKSA-N 1 2 414.307 2.826 20 0 HFADLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](O)C2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000789318932 1077517079 /nfs/dbraw/zinc/51/70/79/1077517079.db2.gz ULTQYQJRHIDKKO-FQEVSTJZSA-N 1 2 422.529 2.531 20 0 HFADLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](O)C2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000789318932 1077517084 /nfs/dbraw/zinc/51/70/84/1077517084.db2.gz ULTQYQJRHIDKKO-FQEVSTJZSA-N 1 2 422.529 2.531 20 0 HFADLO Cc1cc(N2CCN(C(=O)C(=O)Nc3ccc(Cl)nc3C)CC2)nc(C(C)C)[nH+]1 ZINC000789369469 1077541517 /nfs/dbraw/zinc/54/15/17/1077541517.db2.gz CJLCMEWXKFBQCF-UHFFFAOYSA-N 1 2 416.913 2.553 20 0 HFADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789369686 1077541597 /nfs/dbraw/zinc/54/15/97/1077541597.db2.gz AOJDCGSYXOBRBK-JXFKEZNVSA-N 1 2 401.532 2.667 20 0 HFADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789369686 1077541599 /nfs/dbraw/zinc/54/15/99/1077541599.db2.gz AOJDCGSYXOBRBK-JXFKEZNVSA-N 1 2 401.532 2.667 20 0 HFADLO CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000746811577 1077551776 /nfs/dbraw/zinc/55/17/76/1077551776.db2.gz ITXPOCFBUVCCOJ-UHFFFAOYSA-N 1 2 409.446 2.509 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000789424964 1077554256 /nfs/dbraw/zinc/55/42/56/1077554256.db2.gz LZMYMKGDUBEVKZ-ZHRRBRCNSA-N 1 2 422.570 2.927 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000789424964 1077554260 /nfs/dbraw/zinc/55/42/60/1077554260.db2.gz LZMYMKGDUBEVKZ-ZHRRBRCNSA-N 1 2 422.570 2.927 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)C1=O ZINC000789443847 1077575630 /nfs/dbraw/zinc/57/56/30/1077575630.db2.gz OZIODAACGMRLMR-SIKLNZKXSA-N 1 2 407.555 2.741 20 0 HFADLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789524486 1077621070 /nfs/dbraw/zinc/62/10/70/1077621070.db2.gz FCQZGROHWFTEER-QMMLZNLJSA-N 1 2 407.514 2.748 20 0 HFADLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789524486 1077621076 /nfs/dbraw/zinc/62/10/76/1077621076.db2.gz FCQZGROHWFTEER-QMMLZNLJSA-N 1 2 407.514 2.748 20 0 HFADLO Cc1cccc(OCCNC(=O)[C@H](C)[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000789528808 1077624338 /nfs/dbraw/zinc/62/43/38/1077624338.db2.gz IPGPEKSJBHHUIR-UGKGYDQZSA-N 1 2 409.530 2.611 20 0 HFADLO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000789528808 1077624340 /nfs/dbraw/zinc/62/43/40/1077624340.db2.gz IPGPEKSJBHHUIR-UGKGYDQZSA-N 1 2 409.530 2.611 20 0 HFADLO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000746830941 1077680745 /nfs/dbraw/zinc/68/07/45/1077680745.db2.gz WZMYPPLOCLMXPN-INIZCTEOSA-N 1 2 418.538 2.516 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccccc2Oc2cccc(F)c2)[nH+]1 ZINC000789601723 1077705229 /nfs/dbraw/zinc/70/52/29/1077705229.db2.gz URKIZBABYUVFMS-UHFFFAOYSA-N 1 2 416.800 2.924 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[nH+]1 ZINC000789601806 1077705358 /nfs/dbraw/zinc/70/53/58/1077705358.db2.gz WEBKIUBXNFNDNC-UHFFFAOYSA-N 1 2 409.155 2.665 20 0 HFADLO CC(C)(C)OC(=O)NC[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(F)cc1 ZINC000792138081 1077719609 /nfs/dbraw/zinc/71/96/09/1077719609.db2.gz NOIYBESWWSYMNI-SFHVURJKSA-N 1 2 423.529 2.661 20 0 HFADLO CC(C)(C)OC(=O)NC[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(F)cc1 ZINC000792138081 1077719616 /nfs/dbraw/zinc/71/96/16/1077719616.db2.gz NOIYBESWWSYMNI-SFHVURJKSA-N 1 2 423.529 2.661 20 0 HFADLO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCc2ccccc2NC1=O ZINC000792208429 1077730970 /nfs/dbraw/zinc/73/09/70/1077730970.db2.gz HNSVAXKJIVMOFS-JOCHJYFZSA-N 1 2 422.529 2.737 20 0 HFADLO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCc2ccccc2NC1=O ZINC000792208429 1077730980 /nfs/dbraw/zinc/73/09/80/1077730980.db2.gz HNSVAXKJIVMOFS-JOCHJYFZSA-N 1 2 422.529 2.737 20 0 HFADLO CC(C)n1ncc2cc(C[N@@H+]3CCC[C@H](N4CCCS4(=O)=O)C3)c(Cl)nc21 ZINC000789771337 1077771366 /nfs/dbraw/zinc/77/13/66/1077771366.db2.gz RUCVJMIZOLPIDX-INIZCTEOSA-N 1 2 411.959 2.666 20 0 HFADLO CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](N4CCCS4(=O)=O)C3)c(Cl)nc21 ZINC000789771337 1077771371 /nfs/dbraw/zinc/77/13/71/1077771371.db2.gz RUCVJMIZOLPIDX-INIZCTEOSA-N 1 2 411.959 2.666 20 0 HFADLO COC(=O)c1ccccc1N(C)C(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792387198 1077830657 /nfs/dbraw/zinc/83/06/57/1077830657.db2.gz ZHSZUIMSYYGQJB-UHFFFAOYSA-N 1 2 401.438 2.514 20 0 HFADLO CCOC(=O)c1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000792390957 1077831684 /nfs/dbraw/zinc/83/16/84/1077831684.db2.gz WXFPFJJCXCSEJV-UHFFFAOYSA-N 1 2 401.438 2.879 20 0 HFADLO COc1ccc2c(c1NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)CCC2 ZINC000792459641 1077858023 /nfs/dbraw/zinc/85/80/23/1077858023.db2.gz KMHKOAUUYIASOL-INIZCTEOSA-N 1 2 418.538 2.857 20 0 HFADLO COc1ccc2c(c1NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)CCC2 ZINC000792459641 1077858025 /nfs/dbraw/zinc/85/80/25/1077858025.db2.gz KMHKOAUUYIASOL-INIZCTEOSA-N 1 2 418.538 2.857 20 0 HFADLO CN(C[C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1)C(=O)OC(C)(C)C ZINC000789963634 1077872412 /nfs/dbraw/zinc/87/24/12/1077872412.db2.gz NNIRRDKHAJVTDZ-IEBWSBKVSA-N 1 2 409.571 2.735 20 0 HFADLO CN(C[C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1)C(=O)OC(C)(C)C ZINC000789963634 1077872416 /nfs/dbraw/zinc/87/24/16/1077872416.db2.gz NNIRRDKHAJVTDZ-IEBWSBKVSA-N 1 2 409.571 2.735 20 0 HFADLO COc1c(C)c[nH+]c(CN(C)C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)c1C ZINC000746864102 1077877914 /nfs/dbraw/zinc/87/79/14/1077877914.db2.gz MXNNDCVYJHSGKN-FPLPWBNLSA-N 1 2 409.490 2.998 20 0 HFADLO Cc1n[nH]nc1C(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000789984920 1077885209 /nfs/dbraw/zinc/88/52/09/1077885209.db2.gz WTZYWEAGXRHOBT-UHFFFAOYSA-N 1 2 405.502 2.677 20 0 HFADLO Nc1[nH+]ccc2c1CN(C(=O)C1(c3ccc(I)cc3)CC1)CC2 ZINC001170259174 1077920576 /nfs/dbraw/zinc/92/05/76/1077920576.db2.gz TUVZOIJHEPSHPL-UHFFFAOYSA-N 1 2 419.266 2.885 20 0 HFADLO Cc1c(C(=O)N2CCc3cc[nH+]c(N)c3C2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC001170267927 1077922906 /nfs/dbraw/zinc/92/29/06/1077922906.db2.gz FLXXBUWUWKIJMY-UHFFFAOYSA-N 1 2 416.407 2.829 20 0 HFADLO CC(C)CN1C[C@@]23C[N@@H+]([C@H](C)Cc4ccccc4Cl)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001170271998 1077925245 /nfs/dbraw/zinc/92/52/45/1077925245.db2.gz FQEYQRCONXBNCK-BEKAIBRUSA-N 1 2 412.983 2.784 20 0 HFADLO CC(C)CN1C[C@@]23C[N@H+]([C@H](C)Cc4ccccc4Cl)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001170271998 1077925247 /nfs/dbraw/zinc/92/52/47/1077925247.db2.gz FQEYQRCONXBNCK-BEKAIBRUSA-N 1 2 412.983 2.784 20 0 HFADLO CC(C)CS(=O)(=O)CCC(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC001170320606 1077942601 /nfs/dbraw/zinc/94/26/01/1077942601.db2.gz NYDHNSIDJMHYJP-INIZCTEOSA-N 1 2 408.486 2.885 20 0 HFADLO Cc1ccc(S(=O)(=O)n2ccc3c2nc[nH+]c3NC2(c3cccnn3)CC2)cc1 ZINC001157717889 1077944077 /nfs/dbraw/zinc/94/40/77/1077944077.db2.gz NDHYPWVCCDLRRV-UHFFFAOYSA-N 1 2 406.471 2.868 20 0 HFADLO C[C@H](CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790130606 1077951973 /nfs/dbraw/zinc/95/19/73/1077951973.db2.gz BANCUHJAPAQYON-MSOLQXFVSA-N 1 2 411.587 2.839 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000790132967 1077953087 /nfs/dbraw/zinc/95/30/87/1077953087.db2.gz SHOHYMRPLRGECL-YLJYHZDGSA-N 1 2 417.550 2.528 20 0 HFADLO Cc1ccc(-n2nc(Br)cc2C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000790133053 1077953168 /nfs/dbraw/zinc/95/31/68/1077953168.db2.gz SSBLVTZPYMIFOJ-HNNXBMFYSA-N 1 2 421.339 2.736 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1N(C)C(=O)c1cccs1 ZINC000790135378 1077953591 /nfs/dbraw/zinc/95/35/91/1077953591.db2.gz IYZUFDDBFLPINO-MRXNPFEDSA-N 1 2 401.532 2.817 20 0 HFADLO O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001170128524 1077957272 /nfs/dbraw/zinc/95/72/72/1077957272.db2.gz FNEKCMFMROPBSB-CQSZACIVSA-N 1 2 408.359 2.540 20 0 HFADLO O=C(COC(=O)[C@H]1CCC(=O)c2ccccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000792655987 1077959985 /nfs/dbraw/zinc/95/99/85/1077959985.db2.gz POTSLLBJEAQJKT-IBGZPJMESA-N 1 2 412.511 2.696 20 0 HFADLO COc1ccc(Cl)cc1NC(=S)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000792680117 1077971626 /nfs/dbraw/zinc/97/16/26/1077971626.db2.gz QWVVOAVCGLSCDC-QGZVFWFLSA-N 1 2 401.985 2.843 20 0 HFADLO C[C@H]1CSCC[N@H+](Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)C1 ZINC000792718653 1077973834 /nfs/dbraw/zinc/97/38/34/1077973834.db2.gz CHCXRGDJHKKIOL-QGZVFWFLSA-N 1 2 419.620 2.941 20 0 HFADLO C[C@H]1CSCC[N@@H+](Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)C1 ZINC000792718653 1077973836 /nfs/dbraw/zinc/97/38/36/1077973836.db2.gz CHCXRGDJHKKIOL-QGZVFWFLSA-N 1 2 419.620 2.941 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000790336809 1078006449 /nfs/dbraw/zinc/00/64/49/1078006449.db2.gz BIQGGSPPMIUJPO-HXUWFJFHSA-N 1 2 412.527 2.932 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000790336809 1078006454 /nfs/dbraw/zinc/00/64/54/1078006454.db2.gz BIQGGSPPMIUJPO-HXUWFJFHSA-N 1 2 412.527 2.932 20 0 HFADLO Cc1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1-c1ccccc1 ZINC000792834130 1078008239 /nfs/dbraw/zinc/00/82/39/1078008239.db2.gz COYSVRVCFORWIM-FQEVSTJZSA-N 1 2 407.514 2.781 20 0 HFADLO COC(=O)c1cncc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000790424872 1078023240 /nfs/dbraw/zinc/02/32/40/1078023240.db2.gz SWMUBSYAVNDQQK-UHFFFAOYSA-N 1 2 413.455 2.836 20 0 HFADLO C[C@@]12CC[N@H+](CC(=O)N(CCC(N)=O)c3ccc(F)cc3)C[C@@H]1C2(Cl)Cl ZINC000792910757 1078023712 /nfs/dbraw/zinc/02/37/12/1078023712.db2.gz WCCHENQJYXDXRN-WMLDXEAASA-N 1 2 402.297 2.550 20 0 HFADLO C[C@@]12CC[N@@H+](CC(=O)N(CCC(N)=O)c3ccc(F)cc3)C[C@@H]1C2(Cl)Cl ZINC000792910757 1078023717 /nfs/dbraw/zinc/02/37/17/1078023717.db2.gz WCCHENQJYXDXRN-WMLDXEAASA-N 1 2 402.297 2.550 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c(C(=O)OC)c2)[C@@H]1c1c[nH+]cn1C ZINC000792918697 1078025498 /nfs/dbraw/zinc/02/54/98/1078025498.db2.gz VUEKGUIHECPXQR-AUUYWEPGSA-N 1 2 416.453 2.674 20 0 HFADLO CCOC(=O)c1cc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(F)cc1C ZINC000792957231 1078035407 /nfs/dbraw/zinc/03/54/07/1078035407.db2.gz QWLOWSNUXMBNOX-QGZVFWFLSA-N 1 2 418.469 2.677 20 0 HFADLO CNC(=O)OC[C@H]1CCCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000806259852 1079526336 /nfs/dbraw/zinc/52/63/36/1079526336.db2.gz HNBMLXSTMRNYST-QFBILLFUSA-N 1 2 404.511 2.822 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCCc3ccccc3)CC2)C1 ZINC000806273365 1079536636 /nfs/dbraw/zinc/53/66/36/1079536636.db2.gz WBQQSXITNMEKNU-LJQANCHMSA-N 1 2 402.539 2.566 20 0 HFADLO CC(C)(CNC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1)[NH+]1CCOCC1 ZINC000806303667 1079556421 /nfs/dbraw/zinc/55/64/21/1079556421.db2.gz QEAXCAWDNYYXBT-LJQANCHMSA-N 1 2 424.586 2.720 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCCc3ccccc3F)CC2)C1 ZINC000806314212 1079566322 /nfs/dbraw/zinc/56/63/22/1079566322.db2.gz PTXQLZXMJVWKIX-GOSISDBHSA-N 1 2 420.529 2.705 20 0 HFADLO CCn1nc(C)c(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC000806383635 1079633458 /nfs/dbraw/zinc/63/34/58/1079633458.db2.gz ABEZJRGJHVNYKS-QGZVFWFLSA-N 1 2 420.558 2.679 20 0 HFADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCCC[C@H]1COC(=O)NC(C)C ZINC000806357930 1079646048 /nfs/dbraw/zinc/64/60/48/1079646048.db2.gz LIUICHRRHFCBIW-KRWDZBQOSA-N 1 2 419.526 2.748 20 0 HFADLO Cc1ccc(NC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c(N(C)C)[nH+]1 ZINC000806364190 1079650670 /nfs/dbraw/zinc/65/06/70/1079650670.db2.gz RWBJRKIXNKNSDQ-JKOKRWQUSA-N 1 2 401.433 2.765 20 0 HFADLO CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001130633772 1079719499 /nfs/dbraw/zinc/71/94/99/1079719499.db2.gz YMLUWMBNGAIRCB-KRWDZBQOSA-N 1 2 416.522 2.860 20 0 HFADLO O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000806544874 1079783570 /nfs/dbraw/zinc/78/35/70/1079783570.db2.gz AHZWCIZZVNPKPM-QZTJIDSGSA-N 1 2 412.444 2.563 20 0 HFADLO O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000806544874 1079783574 /nfs/dbraw/zinc/78/35/74/1079783574.db2.gz AHZWCIZZVNPKPM-QZTJIDSGSA-N 1 2 412.444 2.563 20 0 HFADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000806528583 1079802483 /nfs/dbraw/zinc/80/24/83/1079802483.db2.gz GMRUOOUOGYMQGZ-AGRHKRQWSA-N 1 2 404.461 2.810 20 0 HFADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000806528583 1079802508 /nfs/dbraw/zinc/80/25/08/1079802508.db2.gz GMRUOOUOGYMQGZ-AGRHKRQWSA-N 1 2 404.461 2.810 20 0 HFADLO CCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000806536999 1079809411 /nfs/dbraw/zinc/80/94/11/1079809411.db2.gz FLYYGGJWFCPCMU-MRXNPFEDSA-N 1 2 403.458 2.822 20 0 HFADLO O=C(NCCCn1cc(Br)cn1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000806552044 1079816429 /nfs/dbraw/zinc/81/64/29/1079816429.db2.gz SEJJOECJTBPXDA-UHFFFAOYSA-N 1 2 403.284 2.721 20 0 HFADLO O=C(NCc1ccon1)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000747335303 1079820297 /nfs/dbraw/zinc/82/02/97/1079820297.db2.gz OICLWVVKQURUED-UHFFFAOYSA-N 1 2 411.893 2.975 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=S)NCc3ccccc3)CC2)C1 ZINC000806609119 1079852221 /nfs/dbraw/zinc/85/22/21/1079852221.db2.gz NYLRSNYJHMTASH-GOSISDBHSA-N 1 2 404.580 2.688 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)c1C ZINC000806746612 1080000392 /nfs/dbraw/zinc/00/03/92/1080000392.db2.gz HXVZBIVQBWSJGS-UHFFFAOYSA-N 1 2 400.410 2.821 20 0 HFADLO CSc1cccc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000806784531 1080008153 /nfs/dbraw/zinc/00/81/53/1080008153.db2.gz RYCZUCLVEKTMSM-HNNXBMFYSA-N 1 2 421.567 2.962 20 0 HFADLO Cc1noc(C)c1[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806807639 1080022932 /nfs/dbraw/zinc/02/29/32/1080022932.db2.gz QEIGXVXTZXQKNN-PBHICJAKSA-N 1 2 421.542 2.689 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC=C(c4ccnn4C)CC3)CC2)cc1 ZINC000806867902 1080068939 /nfs/dbraw/zinc/06/89/39/1080068939.db2.gz AIDMICAMOVGFLN-UHFFFAOYSA-N 1 2 408.550 2.954 20 0 HFADLO C[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccncc1 ZINC000806919854 1080088367 /nfs/dbraw/zinc/08/83/67/1080088367.db2.gz FGZNQNUPXKGSLJ-HKUYNNGSSA-N 1 2 417.554 2.522 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807045908 1080202707 /nfs/dbraw/zinc/20/27/07/1080202707.db2.gz JGOFBXVEBCLASE-BMGDILEWSA-N 1 2 410.465 2.630 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807045908 1080202711 /nfs/dbraw/zinc/20/27/11/1080202711.db2.gz JGOFBXVEBCLASE-BMGDILEWSA-N 1 2 410.465 2.630 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCC3(C4CC4)CCC3)CC2)C1 ZINC000807012526 1080210258 /nfs/dbraw/zinc/21/02/58/1080210258.db2.gz VTXHEGJNOTXKLY-SFHVURJKSA-N 1 2 406.571 2.903 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@@H](C)CCSC ZINC000807051411 1080236220 /nfs/dbraw/zinc/23/62/20/1080236220.db2.gz JGYFWPQZKZELML-QRFRQXIXSA-N 1 2 420.623 2.707 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@@H](C)CCSC ZINC000807051411 1080236228 /nfs/dbraw/zinc/23/62/28/1080236228.db2.gz JGYFWPQZKZELML-QRFRQXIXSA-N 1 2 420.623 2.707 20 0 HFADLO Cc1ccncc1[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807065194 1080247572 /nfs/dbraw/zinc/24/75/72/1080247572.db2.gz HJKUCSILYQZACU-ROUUACIJSA-N 1 2 417.554 2.788 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807157043 1080313106 /nfs/dbraw/zinc/31/31/06/1080313106.db2.gz PCZHYJMZKNIYSV-ZNMIVQPWSA-N 1 2 421.822 2.894 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807157043 1080313111 /nfs/dbraw/zinc/31/31/11/1080313111.db2.gz PCZHYJMZKNIYSV-ZNMIVQPWSA-N 1 2 421.822 2.894 20 0 HFADLO CC[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000807165623 1080322031 /nfs/dbraw/zinc/32/20/31/1080322031.db2.gz JKYSERMBOHHDIT-MJGOQNOKSA-N 1 2 400.567 2.923 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000807283360 1080443831 /nfs/dbraw/zinc/44/38/31/1080443831.db2.gz GZWPTECPQJCVOD-UZLBHIALSA-N 1 2 405.454 2.576 20 0 HFADLO Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(OCC(F)(F)F)cc2)c(N(C)C)[nH+]1 ZINC000807295000 1080484679 /nfs/dbraw/zinc/48/46/79/1080484679.db2.gz LRTUMDGOEJPSOI-UHFFFAOYSA-N 1 2 424.423 2.994 20 0 HFADLO COC(=O)CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCCC1 ZINC001130930528 1080576204 /nfs/dbraw/zinc/57/62/04/1080576204.db2.gz VNPLOLRQFHFVKC-UHFFFAOYSA-N 1 2 412.490 2.860 20 0 HFADLO C[C@@H](CNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)Cn1cc[nH+]c1 ZINC000747401522 1080764545 /nfs/dbraw/zinc/76/45/45/1080764545.db2.gz YZRNOMMKKWUMSX-HNNXBMFYSA-N 1 2 407.499 2.774 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000807521936 1080774584 /nfs/dbraw/zinc/77/45/84/1080774584.db2.gz QCDOYOYVIUSQHS-MOPGFXCFSA-N 1 2 403.885 2.965 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000807521936 1080774589 /nfs/dbraw/zinc/77/45/89/1080774589.db2.gz QCDOYOYVIUSQHS-MOPGFXCFSA-N 1 2 403.885 2.965 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000807526412 1080778141 /nfs/dbraw/zinc/77/81/41/1080778141.db2.gz HCSSCHWDRLUDKQ-QGZVFWFLSA-N 1 2 418.538 2.562 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000807526139 1080778600 /nfs/dbraw/zinc/77/86/00/1080778600.db2.gz SINYJXWGCVSYCR-PMACEKPBSA-N 1 2 411.506 2.889 20 0 HFADLO COC1(c2nc(C3CCOCC3)no2)CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000581324402 560699505 /nfs/dbraw/zinc/69/95/05/560699505.db2.gz BJBSUIYQBHEYJJ-UHFFFAOYSA-N 1 2 418.469 2.679 20 0 HFADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC001164636303 719225031 /nfs/dbraw/zinc/22/50/31/719225031.db2.gz JRGFMXJPMVIBQA-HZPDHXFCSA-N 1 2 404.536 2.810 20 0 HFADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC001164636303 719225032 /nfs/dbraw/zinc/22/50/32/719225032.db2.gz JRGFMXJPMVIBQA-HZPDHXFCSA-N 1 2 404.536 2.810 20 0 HFADLO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncn1 ZINC001164673893 719502901 /nfs/dbraw/zinc/50/29/01/719502901.db2.gz UIKFUZPCZQWELL-UHFFFAOYSA-N 1 2 414.481 2.664 20 0 HFADLO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncn1 ZINC001164673893 719502904 /nfs/dbraw/zinc/50/29/04/719502904.db2.gz UIKFUZPCZQWELL-UHFFFAOYSA-N 1 2 414.481 2.664 20 0 HFADLO CCNC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164670255 719522119 /nfs/dbraw/zinc/52/21/19/719522119.db2.gz CMYGEZBNJVGSNW-UHFFFAOYSA-N 1 2 412.509 2.842 20 0 HFADLO CCNC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164670255 719522122 /nfs/dbraw/zinc/52/21/22/719522122.db2.gz CMYGEZBNJVGSNW-UHFFFAOYSA-N 1 2 412.509 2.842 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Oc2ccccc2)ncn1 ZINC001164705808 719844902 /nfs/dbraw/zinc/84/49/02/719844902.db2.gz VUITWIDPLFKWAM-VGSWGCGISA-N 1 2 412.490 2.502 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc2ccsc21 ZINC001164697766 719851744 /nfs/dbraw/zinc/85/17/44/719851744.db2.gz AKBVJFGZMJFXNJ-YJYMSZOUSA-N 1 2 422.576 2.646 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CCCCC2 ZINC001164704632 719852061 /nfs/dbraw/zinc/85/20/61/719852061.db2.gz SCIAUPFUNUSQRG-QVKFZJNVSA-N 1 2 422.957 2.632 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CCCCC2 ZINC001164704635 719852172 /nfs/dbraw/zinc/85/21/72/719852172.db2.gz SCIAUPFUNUSQRG-YCRPNKLZSA-N 1 2 422.957 2.632 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(C)cc2)nn1 ZINC001164706764 719867044 /nfs/dbraw/zinc/86/70/44/719867044.db2.gz QLHGIEQFTIHZQX-AUSIDOKSSA-N 1 2 410.518 2.685 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc(C)c2)nn1 ZINC001164702370 719868724 /nfs/dbraw/zinc/86/87/24/719868724.db2.gz IPNPJUHYQNPKIW-XXBNENTESA-N 1 2 410.518 2.685 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccnc1Oc1ccccc1 ZINC001164701231 719874368 /nfs/dbraw/zinc/87/43/68/719874368.db2.gz GELSBQUGYGLVMU-HTAPYJJXSA-N 1 2 412.490 2.502 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(C(C)C)n4)CC3)C2=O)cs1 ZINC001164819331 720374317 /nfs/dbraw/zinc/37/43/17/720374317.db2.gz CWMOGJBMXFXJQI-UHFFFAOYSA-N 1 2 414.579 2.678 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(C(C)C)n4)CC3)C2=O)cs1 ZINC001164819331 720374324 /nfs/dbraw/zinc/37/43/24/720374324.db2.gz CWMOGJBMXFXJQI-UHFFFAOYSA-N 1 2 414.579 2.678 20 0 HFADLO Cc1ccc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1Cl ZINC001164860930 720896035 /nfs/dbraw/zinc/89/60/35/720896035.db2.gz WMNHVKSJEMMDBL-UHFFFAOYSA-N 1 2 420.851 2.800 20 0 HFADLO Cc1cc(Cl)ncc1C(F)(F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001164857681 720896090 /nfs/dbraw/zinc/89/60/90/720896090.db2.gz IZPJDFZDLDLNRT-UHFFFAOYSA-N 1 2 420.851 2.800 20 0 HFADLO FC(F)(c1cnc(Cl)cn1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164763156 721272244 /nfs/dbraw/zinc/27/22/44/721272244.db2.gz CHDPTKFSXCOKJG-ZDUSSCGKSA-N 1 2 406.824 2.982 20 0 HFADLO FC(F)(c1cnc(Cl)nc1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164765395 721272570 /nfs/dbraw/zinc/27/25/70/721272570.db2.gz KUIURQJLMNXODX-CYBMUJFWSA-N 1 2 406.824 2.982 20 0 HFADLO COC(=O)c1cccc2nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)ccc21 ZINC001165010466 721718237 /nfs/dbraw/zinc/71/82/37/721718237.db2.gz HNYJEBZEPLXYFZ-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO COC(=O)c1cccc2nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)ccc21 ZINC001165010466 721718240 /nfs/dbraw/zinc/71/82/40/721718240.db2.gz HNYJEBZEPLXYFZ-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(NC(=O)OC(C)(C)C)ncn2)CC1 ZINC001164918221 721813449 /nfs/dbraw/zinc/81/34/49/721813449.db2.gz POSCJHXUOYIWOL-UHFFFAOYSA-N 1 2 413.526 2.770 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3sc(C)nc32)CC1 ZINC001164916314 721816356 /nfs/dbraw/zinc/81/63/56/721816356.db2.gz CAPZCFXSSJGYMS-UHFFFAOYSA-N 1 2 403.943 2.994 20 0 HFADLO CSc1ncc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164943721 721970944 /nfs/dbraw/zinc/97/09/44/721970944.db2.gz CGISHAQHYIOVRX-UHFFFAOYSA-N 1 2 417.966 2.823 20 0 HFADLO CSc1ncc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164943721 721970945 /nfs/dbraw/zinc/97/09/45/721970945.db2.gz CGISHAQHYIOVRX-UHFFFAOYSA-N 1 2 417.966 2.823 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164943727 721972137 /nfs/dbraw/zinc/97/21/37/721972137.db2.gz CJDGZJMSINSVSB-HXUWFJFHSA-N 1 2 418.900 2.834 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN([C@@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164943727 721972139 /nfs/dbraw/zinc/97/21/39/721972139.db2.gz CJDGZJMSINSVSB-HXUWFJFHSA-N 1 2 418.900 2.834 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164948205 721973702 /nfs/dbraw/zinc/97/37/02/721973702.db2.gz VGAQOXCBWWIHHF-HXUWFJFHSA-N 1 2 418.900 2.834 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN([C@@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164948205 721973705 /nfs/dbraw/zinc/97/37/05/721973705.db2.gz VGAQOXCBWWIHHF-HXUWFJFHSA-N 1 2 418.900 2.834 20 0 HFADLO CC(C)(C)Oc1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164946757 721974368 /nfs/dbraw/zinc/97/43/68/721974368.db2.gz KNWXZXQNINJCIW-UHFFFAOYSA-N 1 2 409.534 2.625 20 0 HFADLO CC(C)(C)Oc1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164946757 721974371 /nfs/dbraw/zinc/97/43/71/721974371.db2.gz KNWXZXQNINJCIW-UHFFFAOYSA-N 1 2 409.534 2.625 20 0 HFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)Nc1cccc(Cl)n1 ZINC000792998592 1078044517 /nfs/dbraw/zinc/04/45/17/1078044517.db2.gz VFEVSJSIRRZQCZ-UHFFFAOYSA-N 1 2 401.898 2.834 20 0 HFADLO Cc1ccccc1[C@]1(C)NC(=O)N(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)C1=O ZINC000790466060 1078044813 /nfs/dbraw/zinc/04/48/13/1078044813.db2.gz ONJNDDXWBPGNCF-QFIPXVFZSA-N 1 2 412.465 2.797 20 0 HFADLO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000790584809 1078061821 /nfs/dbraw/zinc/06/18/21/1078061821.db2.gz XBEIVBSOHLDATG-HNNXBMFYSA-N 1 2 417.369 2.703 20 0 HFADLO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000790584809 1078061827 /nfs/dbraw/zinc/06/18/27/1078061827.db2.gz XBEIVBSOHLDATG-HNNXBMFYSA-N 1 2 417.369 2.703 20 0 HFADLO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000790584811 1078061864 /nfs/dbraw/zinc/06/18/64/1078061864.db2.gz XBEIVBSOHLDATG-OAHLLOKOSA-N 1 2 417.369 2.703 20 0 HFADLO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000790584811 1078061867 /nfs/dbraw/zinc/06/18/67/1078061867.db2.gz XBEIVBSOHLDATG-OAHLLOKOSA-N 1 2 417.369 2.703 20 0 HFADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)Nc1cccc(F)n1 ZINC000793057456 1078068488 /nfs/dbraw/zinc/06/84/88/1078068488.db2.gz LIJOQNBCKDTFQH-CRAIPNDOSA-N 1 2 413.497 2.622 20 0 HFADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)Nc1cccc(F)n1 ZINC000793057456 1078068491 /nfs/dbraw/zinc/06/84/91/1078068491.db2.gz LIJOQNBCKDTFQH-CRAIPNDOSA-N 1 2 413.497 2.622 20 0 HFADLO CC[C@@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C[C@@]2(CCOC2)O1 ZINC000793060279 1078069504 /nfs/dbraw/zinc/06/95/04/1078069504.db2.gz XIXXLIXJLSDNNY-FYYLOGMGSA-N 1 2 416.566 2.701 20 0 HFADLO C[C@]1(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793121098 1078070477 /nfs/dbraw/zinc/07/04/77/1078070477.db2.gz LLBYJRHXWBTGSZ-XXBNENTESA-N 1 2 423.517 2.761 20 0 HFADLO Cc1nn(C)c(Cl)c1C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000790612003 1078075592 /nfs/dbraw/zinc/07/55/92/1078075592.db2.gz ZQRQGFWPBKZAFN-UHFFFAOYSA-N 1 2 418.666 2.715 20 0 HFADLO C[N@@H+]1CC[C@@H](NC(=O)N(CCO)Cc2cccnc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000793136090 1078087918 /nfs/dbraw/zinc/08/79/18/1078087918.db2.gz XSZDJFFOPCUMRL-QZTJIDSGSA-N 1 2 424.879 2.963 20 0 HFADLO C[N@H+]1CC[C@@H](NC(=O)N(CCO)Cc2cccnc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000793136090 1078087924 /nfs/dbraw/zinc/08/79/24/1078087924.db2.gz XSZDJFFOPCUMRL-QZTJIDSGSA-N 1 2 424.879 2.963 20 0 HFADLO COC(=O)[C@H](COCc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1OC ZINC001170142729 1078102893 /nfs/dbraw/zinc/10/28/93/1078102893.db2.gz VMPUPKOPDVRHNU-NRFANRHFSA-N 1 2 414.502 2.698 20 0 HFADLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)OCCc1c[nH+]cn1C ZINC000793239531 1078108118 /nfs/dbraw/zinc/10/81/18/1078108118.db2.gz CJRCJWXPJVGQFY-INIZCTEOSA-N 1 2 405.520 2.691 20 0 HFADLO COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)OCCc2c[nH+]cn2C)CC1 ZINC000793249999 1078110025 /nfs/dbraw/zinc/11/00/25/1078110025.db2.gz LKVWBAMYZVTTSL-UHFFFAOYSA-N 1 2 405.882 2.720 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000793251794 1078110694 /nfs/dbraw/zinc/11/06/94/1078110694.db2.gz ADHQHMYISSBDDQ-UHFFFAOYSA-N 1 2 403.435 2.760 20 0 HFADLO C[C@H]1OCC[C@]12CN(C(=O)NC1CC[NH+](c3ccc(N(C)C)cc3)CC1)C[C@@H](C)O2 ZINC000790759717 1078112621 /nfs/dbraw/zinc/11/26/21/1078112621.db2.gz HDJVTLIGVQVYPV-PNCHPQGNSA-N 1 2 416.566 2.699 20 0 HFADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793492917 1078200976 /nfs/dbraw/zinc/20/09/76/1078200976.db2.gz YJPSQASFEZLRBW-QZTJIDSGSA-N 1 2 401.426 2.865 20 0 HFADLO O=C(NCCCNc1cccc[nH+]1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000793530241 1078212162 /nfs/dbraw/zinc/21/21/62/1078212162.db2.gz PNBQCBWRVGOEHM-RTBURBONSA-N 1 2 419.485 2.592 20 0 HFADLO Cn1c[nH+]cc1CCC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000793582949 1078214749 /nfs/dbraw/zinc/21/47/49/1078214749.db2.gz NCEWLKHAUBFTDQ-HNNXBMFYSA-N 1 2 409.330 2.938 20 0 HFADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)N[C@@H](C)COc2ccccc2)c(C)c1 ZINC000793684379 1078254093 /nfs/dbraw/zinc/25/40/93/1078254093.db2.gz ADKZFBNZLFFEHQ-UGKGYDQZSA-N 1 2 420.513 2.941 20 0 HFADLO CC[C@]1(C(C)C)NC(=O)N(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793725610 1078267949 /nfs/dbraw/zinc/26/79/49/1078267949.db2.gz XGOAZURSQPTBBV-VWKPWSFCSA-N 1 2 408.543 2.632 20 0 HFADLO CC[C@]1(C(C)C)NC(=O)N(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793725610 1078267952 /nfs/dbraw/zinc/26/79/52/1078267952.db2.gz XGOAZURSQPTBBV-VWKPWSFCSA-N 1 2 408.543 2.632 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)CN(c4ccccc4)C3=O)CC[C@@H]21 ZINC000793703573 1078275556 /nfs/dbraw/zinc/27/55/56/1078275556.db2.gz HHHJHWGMZKKCOD-AEFFLSMTSA-N 1 2 414.506 2.744 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)CN(c4ccccc4)C3=O)CC[C@@H]21 ZINC000793703573 1078275560 /nfs/dbraw/zinc/27/55/60/1078275560.db2.gz HHHJHWGMZKKCOD-AEFFLSMTSA-N 1 2 414.506 2.744 20 0 HFADLO CC[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000793737337 1078285447 /nfs/dbraw/zinc/28/54/47/1078285447.db2.gz ZNSXASSRGNXIGF-BHIYHBOVSA-N 1 2 409.571 2.782 20 0 HFADLO CC[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000793737337 1078285452 /nfs/dbraw/zinc/28/54/52/1078285452.db2.gz ZNSXASSRGNXIGF-BHIYHBOVSA-N 1 2 409.571 2.782 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)[C@@H]1c1c[nH+]cn1C ZINC000793785952 1078294972 /nfs/dbraw/zinc/29/49/72/1078294972.db2.gz AQWAXEJWZSARQU-FZKQIMNGSA-N 1 2 412.519 2.914 20 0 HFADLO CC[C@@H]1CC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc(I)cc2)C1=O ZINC000793822296 1078317434 /nfs/dbraw/zinc/31/74/34/1078317434.db2.gz WIQYDCDMBWGGMH-CZUORRHYSA-N 1 2 413.259 2.500 20 0 HFADLO CC[C@@H]1CC[N@H+]1CN1C(=O)N[C@](C)(c2ccc(I)cc2)C1=O ZINC000793822296 1078317437 /nfs/dbraw/zinc/31/74/37/1078317437.db2.gz WIQYDCDMBWGGMH-CZUORRHYSA-N 1 2 413.259 2.500 20 0 HFADLO CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000793864066 1078327202 /nfs/dbraw/zinc/32/72/02/1078327202.db2.gz SZBVAPUADHABLU-TZMCWYRMSA-N 1 2 408.449 2.996 20 0 HFADLO C[C@@H](SCc1cnn(-c2ccccc2)n1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000793963605 1078348150 /nfs/dbraw/zinc/34/81/50/1078348150.db2.gz AXWUIVUATNHIAY-QGZVFWFLSA-N 1 2 408.531 2.633 20 0 HFADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000794205571 1078384450 /nfs/dbraw/zinc/38/44/50/1078384450.db2.gz JJOAOHBVVMDUDD-QHCPKHFHSA-N 1 2 415.453 2.717 20 0 HFADLO O=C(C[N@H+]1CCCN(C(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1)N1CCCC1 ZINC000804375234 1078438875 /nfs/dbraw/zinc/43/88/75/1078438875.db2.gz NSUVTUBFOPESBY-UHFFFAOYSA-N 1 2 419.394 2.754 20 0 HFADLO O=C(C[N@@H+]1CCCN(C(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1)N1CCCC1 ZINC000804375234 1078438878 /nfs/dbraw/zinc/43/88/78/1078438878.db2.gz NSUVTUBFOPESBY-UHFFFAOYSA-N 1 2 419.394 2.754 20 0 HFADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000804375642 1078453091 /nfs/dbraw/zinc/45/30/91/1078453091.db2.gz WXDGOPVNZCBPCV-UHFFFAOYSA-N 1 2 421.410 3.000 20 0 HFADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000804375642 1078453093 /nfs/dbraw/zinc/45/30/93/1078453093.db2.gz WXDGOPVNZCBPCV-UHFFFAOYSA-N 1 2 421.410 3.000 20 0 HFADLO CCNc1nc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000804376496 1078453707 /nfs/dbraw/zinc/45/37/07/1078453707.db2.gz DIWGKXXKYVMNFS-AWEZNQCLSA-N 1 2 407.563 2.677 20 0 HFADLO CCOC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@@H](N3CCOCC3)C1)n2CC ZINC001170450464 1078475299 /nfs/dbraw/zinc/47/52/99/1078475299.db2.gz CFOSUKRDABQPRD-GOSISDBHSA-N 1 2 400.523 2.530 20 0 HFADLO CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@@H](N3CCOCC3)C1)n2CC ZINC001170450464 1078475304 /nfs/dbraw/zinc/47/53/04/1078475304.db2.gz CFOSUKRDABQPRD-GOSISDBHSA-N 1 2 400.523 2.530 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC000804436965 1078480736 /nfs/dbraw/zinc/48/07/36/1078480736.db2.gz UTYQCIPPGHKFLT-ICSRJNTNSA-N 1 2 420.513 2.849 20 0 HFADLO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000804438192 1078483142 /nfs/dbraw/zinc/48/31/42/1078483142.db2.gz LGVZPUNBKMGHAO-IHPCNDPISA-N 1 2 417.550 2.882 20 0 HFADLO Cc1nn(-c2ccccc2)c2ncc(C(=O)N3C[C@@H]([NH+]4CCOCC4)C[C@H]3C)cc12 ZINC000804438552 1078503931 /nfs/dbraw/zinc/50/39/31/1078503931.db2.gz QNFLUTVQEPUCNI-UZLBHIALSA-N 1 2 405.502 2.664 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC000804440196 1078504457 /nfs/dbraw/zinc/50/44/57/1078504457.db2.gz VEAHNKMTRWYPMC-MSQSPTIYSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1CSC1=NCCS1 ZINC000804439919 1078504832 /nfs/dbraw/zinc/50/48/32/1078504832.db2.gz NHTYOCKMISEIMJ-NVXWUHKLSA-N 1 2 405.589 2.958 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC001129823021 1078517918 /nfs/dbraw/zinc/51/79/18/1078517918.db2.gz PZSLNEWBWSJJAC-QZTJIDSGSA-N 1 2 401.334 2.903 20 0 HFADLO FC(F)[C@@H]1CN(c2cc(N3CCO[C@H](C(F)F)C3)c3ccncc3[nH+]2)CCO1 ZINC000804694013 1078534278 /nfs/dbraw/zinc/53/42/78/1078534278.db2.gz LDCZCNFPJKTQPX-GJZGRUSLSA-N 1 2 400.376 2.570 20 0 HFADLO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cccc(I)c2O)C1 ZINC000804532808 1078570157 /nfs/dbraw/zinc/57/01/57/1078570157.db2.gz LAPTZDRCWAHBTA-UHFFFAOYSA-N 1 2 422.266 2.953 20 0 HFADLO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cccc(I)c2O)C1 ZINC000804532808 1078570163 /nfs/dbraw/zinc/57/01/63/1078570163.db2.gz LAPTZDRCWAHBTA-UHFFFAOYSA-N 1 2 422.266 2.953 20 0 HFADLO CC[C@@H]1C[C@@H]([NH2+]Cc2noc(C(=O)N(C)C)n2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170465572 1078596035 /nfs/dbraw/zinc/59/60/35/1078596035.db2.gz PWLHOPFNGCFVDJ-QKDCVEJESA-N 1 2 409.531 2.818 20 0 HFADLO Cc1nc2cccc(C(=O)N3CC[C@H]([NH+]4CCN(C(=O)OC(C)(C)C)CC4)C3)c2[nH]1 ZINC000804760461 1078609137 /nfs/dbraw/zinc/60/91/37/1078609137.db2.gz KYGUAFZHZMKFSY-INIZCTEOSA-N 1 2 413.522 2.639 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C=C/c3cccc(O)c3)C2)CC1 ZINC000804761109 1078612045 /nfs/dbraw/zinc/61/20/45/1078612045.db2.gz WECLONVOMLDUIP-DVBCCOPCSA-N 1 2 401.507 2.559 20 0 HFADLO Cc1csc(CCCC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804761992 1078614991 /nfs/dbraw/zinc/61/49/91/1078614991.db2.gz ORYCQXGTPWETSY-QGZVFWFLSA-N 1 2 422.595 2.928 20 0 HFADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001129649170 1078639191 /nfs/dbraw/zinc/63/91/91/1078639191.db2.gz WWPDRFBMEUIDKT-WMZOPIPTSA-N 1 2 408.424 2.707 20 0 HFADLO COc1cccc2ncnc(N3CC[C@@H]([NH+]4CCN(C(=O)OC(C)(C)C)CC4)C3)c21 ZINC000804835167 1078677674 /nfs/dbraw/zinc/67/76/74/1078677674.db2.gz QEILPLZJUZPYPI-MRXNPFEDSA-N 1 2 413.522 2.770 20 0 HFADLO COCCOCCOCCOCCNc1[nH+]cccc1OCc1ccccc1F ZINC001170473171 1078822662 /nfs/dbraw/zinc/82/26/62/1078822662.db2.gz FXNJEURHJCMHRJ-UHFFFAOYSA-N 1 2 408.470 2.908 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3ccc(F)cc3F)C2)CC1 ZINC000805021356 1078832911 /nfs/dbraw/zinc/83/29/11/1078832911.db2.gz HJQIUZPNHGYYQX-KRWDZBQOSA-N 1 2 424.492 2.801 20 0 HFADLO O=S(=O)(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1cnc(Cl)c(F)c1 ZINC000805077846 1078909073 /nfs/dbraw/zinc/90/90/73/1078909073.db2.gz DSQIMEXARHRCMT-AWEZNQCLSA-N 1 2 415.943 2.770 20 0 HFADLO O=S(=O)(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1cnc(Cl)c(F)c1 ZINC000805077846 1078909075 /nfs/dbraw/zinc/90/90/75/1078909075.db2.gz DSQIMEXARHRCMT-AWEZNQCLSA-N 1 2 415.943 2.770 20 0 HFADLO CCSCC[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805163215 1078955024 /nfs/dbraw/zinc/95/50/24/1078955024.db2.gz DVASDQKSWPVOHP-SJORKVTESA-N 1 2 414.616 2.855 20 0 HFADLO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 ZINC000805171205 1078958107 /nfs/dbraw/zinc/95/81/07/1078958107.db2.gz JPSOLVAYMDGYLW-IEBWSBKVSA-N 1 2 417.554 2.522 20 0 HFADLO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000747238511 1079029136 /nfs/dbraw/zinc/02/91/36/1079029136.db2.gz FGMLZMORJMIVBD-SBJJXXPASA-N 1 2 420.556 2.659 20 0 HFADLO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000747238511 1079029143 /nfs/dbraw/zinc/02/91/43/1079029143.db2.gz FGMLZMORJMIVBD-SBJJXXPASA-N 1 2 420.556 2.659 20 0 HFADLO Cc1ccc(CC(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)n1 ZINC000805666562 1079209800 /nfs/dbraw/zinc/20/98/00/1079209800.db2.gz NVMPZYUBJPSUDJ-UHFFFAOYSA-N 1 2 417.893 2.600 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000805775597 1079247961 /nfs/dbraw/zinc/24/79/61/1079247961.db2.gz GXRCCNVYXVUEDU-KRWDZBQOSA-N 1 2 416.522 2.508 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000805775597 1079247963 /nfs/dbraw/zinc/24/79/63/1079247963.db2.gz GXRCCNVYXVUEDU-KRWDZBQOSA-N 1 2 416.522 2.508 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000805775584 1079247996 /nfs/dbraw/zinc/24/79/96/1079247996.db2.gz GTULXCROCDQXNF-QGZVFWFLSA-N 1 2 405.495 2.777 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000805775584 1079248004 /nfs/dbraw/zinc/24/80/04/1079248004.db2.gz GTULXCROCDQXNF-QGZVFWFLSA-N 1 2 405.495 2.777 20 0 HFADLO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788553 1079254510 /nfs/dbraw/zinc/25/45/10/1079254510.db2.gz KAVUYKLSVWUQHB-OVWQWFNUSA-N 1 2 402.457 2.821 20 0 HFADLO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788553 1079254513 /nfs/dbraw/zinc/25/45/13/1079254513.db2.gz KAVUYKLSVWUQHB-OVWQWFNUSA-N 1 2 402.457 2.821 20 0 HFADLO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787433 1079253962 /nfs/dbraw/zinc/25/39/62/1079253962.db2.gz POWAUPJEYPGGCL-UJHHCITNSA-N 1 2 403.489 2.945 20 0 HFADLO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787433 1079253969 /nfs/dbraw/zinc/25/39/69/1079253969.db2.gz POWAUPJEYPGGCL-UJHHCITNSA-N 1 2 403.489 2.945 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000805761135 1079262916 /nfs/dbraw/zinc/26/29/16/1079262916.db2.gz PVQJLVLNMHMORT-CTNGQTDRSA-N 1 2 416.566 2.572 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000805761135 1079262920 /nfs/dbraw/zinc/26/29/20/1079262920.db2.gz PVQJLVLNMHMORT-CTNGQTDRSA-N 1 2 416.566 2.572 20 0 HFADLO C[C@@H]1[C@H](C)N(C(=O)CCS(=O)(=O)c2cccc(Br)c2)[C@@H](C)C[N@@H+]1C ZINC001130370943 1079270881 /nfs/dbraw/zinc/27/08/81/1079270881.db2.gz XGIFSABPMOBOHQ-MJBXVCDLSA-N 1 2 417.369 2.552 20 0 HFADLO C[C@@H]1[C@H](C)N(C(=O)CCS(=O)(=O)c2cccc(Br)c2)[C@@H](C)C[N@H+]1C ZINC001130370943 1079270889 /nfs/dbraw/zinc/27/08/89/1079270889.db2.gz XGIFSABPMOBOHQ-MJBXVCDLSA-N 1 2 417.369 2.552 20 0 HFADLO O=C(C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1)NC(=O)NCc1ccco1 ZINC000805826476 1079296632 /nfs/dbraw/zinc/29/66/32/1079296632.db2.gz AXFZOZLJWHREJS-QGZVFWFLSA-N 1 2 420.510 2.519 20 0 HFADLO O=C(C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1)NC(=O)NCc1ccco1 ZINC000805826476 1079296637 /nfs/dbraw/zinc/29/66/37/1079296637.db2.gz AXFZOZLJWHREJS-QGZVFWFLSA-N 1 2 420.510 2.519 20 0 HFADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000805827492 1079297790 /nfs/dbraw/zinc/29/77/90/1079297790.db2.gz KQOAXVRKWRGIBP-CYBMUJFWSA-N 1 2 418.357 2.680 20 0 HFADLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000805827492 1079297795 /nfs/dbraw/zinc/29/77/95/1079297795.db2.gz KQOAXVRKWRGIBP-CYBMUJFWSA-N 1 2 418.357 2.680 20 0 HFADLO COc1ccc(CCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000805891918 1079323881 /nfs/dbraw/zinc/32/38/81/1079323881.db2.gz HMZMLKUPEGFEQU-UHFFFAOYSA-N 1 2 420.506 2.716 20 0 HFADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@@H]3CNC(c4ccccc4)=NO3)CC2)cs1 ZINC000805894445 1079324265 /nfs/dbraw/zinc/32/42/65/1079324265.db2.gz HRSHNQJOYXXOFK-IBGZPJMESA-N 1 2 414.531 2.557 20 0 HFADLO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)[C@@H](C)C1 ZINC000806192394 1079483079 /nfs/dbraw/zinc/48/30/79/1079483079.db2.gz SUEOFEQWVBGSAJ-LLGFUMIMSA-N 1 2 400.567 2.779 20 0 HFADLO CC(C)NC(=O)OC1CN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000806213217 1079498140 /nfs/dbraw/zinc/49/81/40/1079498140.db2.gz NRCXRPDZAWTENN-HOTGVXAUSA-N 1 2 404.511 2.647 20 0 HFADLO C[C@H]1CC[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@H]1c1cccc(F)c1 ZINC000746676804 1076757572 /nfs/dbraw/zinc/75/75/72/1076757572.db2.gz APEAJSHLIOQOLF-KRPZCGBLSA-N 1 2 416.497 2.741 20 0 HFADLO C[C@H]1CC[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@H]1c1cccc(F)c1 ZINC000746676804 1076757577 /nfs/dbraw/zinc/75/75/77/1076757577.db2.gz APEAJSHLIOQOLF-KRPZCGBLSA-N 1 2 416.497 2.741 20 0 HFADLO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1OC(F)F ZINC000787377092 1076779189 /nfs/dbraw/zinc/77/91/89/1076779189.db2.gz YRFLZWGDFZRYCT-ZIAGYGMSSA-N 1 2 406.433 2.605 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NCCCNc3cccc[nH+]3)[nH]n2)C1 ZINC000787378878 1076779782 /nfs/dbraw/zinc/77/97/82/1076779782.db2.gz VAKKHXXTZYSXEA-OAHLLOKOSA-N 1 2 414.510 2.761 20 0 HFADLO COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000787351965 1076791645 /nfs/dbraw/zinc/79/16/45/1076791645.db2.gz IUQHDDKVGVKRDO-DOTOQJQBSA-N 1 2 421.538 2.698 20 0 HFADLO COc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000787351965 1076791654 /nfs/dbraw/zinc/79/16/54/1076791654.db2.gz IUQHDDKVGVKRDO-DOTOQJQBSA-N 1 2 421.538 2.698 20 0 HFADLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787356019 1076794711 /nfs/dbraw/zinc/79/47/11/1076794711.db2.gz NGKCGURHGVRVBR-ZIAGYGMSSA-N 1 2 408.474 2.851 20 0 HFADLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787356019 1076794715 /nfs/dbraw/zinc/79/47/15/1076794715.db2.gz NGKCGURHGVRVBR-ZIAGYGMSSA-N 1 2 408.474 2.851 20 0 HFADLO CN(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000787389305 1076805612 /nfs/dbraw/zinc/80/56/12/1076805612.db2.gz JAYHIIBHIOUGCM-UHFFFAOYSA-N 1 2 418.339 2.914 20 0 HFADLO CCNC(=O)Nc1ccc(C)c(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000787454263 1076817758 /nfs/dbraw/zinc/81/77/58/1076817758.db2.gz XTWYYNFZGLLPBW-QGZVFWFLSA-N 1 2 414.510 2.503 20 0 HFADLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCc3cc[nH+]c(N)c3)c2)C1 ZINC000787593984 1076863769 /nfs/dbraw/zinc/86/37/69/1076863769.db2.gz YPPJHIPXSADJBW-HUUCEWRRSA-N 1 2 403.504 2.687 20 0 HFADLO CN1CCN(c2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2Br)CC1 ZINC000787674185 1076889640 /nfs/dbraw/zinc/88/96/40/1076889640.db2.gz IZXRIWRPNHAVAP-CQSZACIVSA-N 1 2 418.339 2.599 20 0 HFADLO Cc1ccc(NC(=O)C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c(N(C)C)[nH+]1 ZINC000787645496 1076895165 /nfs/dbraw/zinc/89/51/65/1076895165.db2.gz RFUGTNNSWSAVRE-SECBINFHSA-N 1 2 401.414 2.747 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](O)c3ccccc3)cc2Br)CC1 ZINC000787668497 1076905100 /nfs/dbraw/zinc/90/51/00/1076905100.db2.gz VNEMEVUYCBNTLS-SFHVURJKSA-N 1 2 404.308 2.873 20 0 HFADLO NC(=O)c1c[nH]c2nc[nH+]c(N[C@@H](Cc3ccccc3)C(=O)NC3CCCCC3)c12 ZINC001170076903 1076913861 /nfs/dbraw/zinc/91/38/61/1076913861.db2.gz XXKQLGNSKAFUFW-KRWDZBQOSA-N 1 2 406.490 2.529 20 0 HFADLO CC[NH+](CC)[C@H](C(=O)OCc1nc(-c2nc[nH]n2)no1)c1cccc(C(F)(F)F)c1 ZINC000787716485 1076924123 /nfs/dbraw/zinc/92/41/23/1076924123.db2.gz NUKSKLVQZNJGHP-AWEZNQCLSA-N 1 2 424.383 3.000 20 0 HFADLO CC[C@@H]([NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl)C(=O)N1CCOCC1 ZINC000787773217 1076942584 /nfs/dbraw/zinc/94/25/84/1076942584.db2.gz DMHLAQXXMJYIQS-QGZVFWFLSA-N 1 2 419.957 2.627 20 0 HFADLO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3ccnc(Cl)c3Cl)C2)cc1 ZINC000787775750 1076943148 /nfs/dbraw/zinc/94/31/48/1076943148.db2.gz LSWGDLSRYYBVQK-UHFFFAOYSA-N 1 2 402.303 2.560 20 0 HFADLO C[C@H](C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000787846487 1076962411 /nfs/dbraw/zinc/96/24/11/1076962411.db2.gz YILIZHGXSJCISN-VLIAUNLRSA-N 1 2 423.891 2.979 20 0 HFADLO C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787873427 1076969783 /nfs/dbraw/zinc/96/97/83/1076969783.db2.gz GQMDFZMUCPXIEB-AWEZNQCLSA-N 1 2 423.355 2.540 20 0 HFADLO CC[C@@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1OC(F)F ZINC000787868561 1076987402 /nfs/dbraw/zinc/98/74/02/1076987402.db2.gz JAQWUBKRZOMLIF-GDBMZVCRSA-N 1 2 420.460 2.995 20 0 HFADLO CC(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)Cc2ccco2)[C@H]1c1ccc(F)c(F)c1 ZINC000787938261 1077016732 /nfs/dbraw/zinc/01/67/32/1077016732.db2.gz GENJYBRLVJWXAL-JSNMRZPZSA-N 1 2 419.472 2.945 20 0 HFADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)Cc2ccco2)[C@H]1c1ccc(F)c(F)c1 ZINC000787938261 1077016737 /nfs/dbraw/zinc/01/67/37/1077016737.db2.gz GENJYBRLVJWXAL-JSNMRZPZSA-N 1 2 419.472 2.945 20 0 HFADLO COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787996782 1077022473 /nfs/dbraw/zinc/02/24/73/1077022473.db2.gz OVQBNJSAGIMIFU-QHCPKHFHSA-N 1 2 417.550 2.925 20 0 HFADLO COCc1ccccc1CNC(=O)C[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787996782 1077022479 /nfs/dbraw/zinc/02/24/79/1077022479.db2.gz OVQBNJSAGIMIFU-QHCPKHFHSA-N 1 2 417.550 2.925 20 0 HFADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788002777 1077024581 /nfs/dbraw/zinc/02/45/81/1077024581.db2.gz ALADQYUTMHYLST-MRXNPFEDSA-N 1 2 421.538 2.764 20 0 HFADLO CC(C)(C)OC(=O)NC/C=C\CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000788027161 1077034544 /nfs/dbraw/zinc/03/45/44/1077034544.db2.gz SZYBDALLKCMPKX-WAYWQWQTSA-N 1 2 403.527 2.952 20 0 HFADLO Cc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1N1CCOC1=O ZINC000746728802 1077061884 /nfs/dbraw/zinc/06/18/84/1077061884.db2.gz APBZSOQGBIMKMK-SFHVURJKSA-N 1 2 402.495 2.670 20 0 HFADLO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cnc1Br ZINC000788157456 1077071229 /nfs/dbraw/zinc/07/12/29/1077071229.db2.gz UVQQEYICTDOUJH-UHFFFAOYSA-N 1 2 420.307 2.615 20 0 HFADLO COc1cccc(C(=O)NCC(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000788239502 1077084593 /nfs/dbraw/zinc/08/45/93/1077084593.db2.gz ACQHZZCAMSGKPQ-KRWDZBQOSA-N 1 2 410.518 2.870 20 0 HFADLO COc1cccc(C(=O)NCC(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000788239502 1077084596 /nfs/dbraw/zinc/08/45/96/1077084596.db2.gz ACQHZZCAMSGKPQ-KRWDZBQOSA-N 1 2 410.518 2.870 20 0 HFADLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)co1 ZINC000788245020 1077085559 /nfs/dbraw/zinc/08/55/59/1077085559.db2.gz DHZHDRBVJZGDAU-HNNXBMFYSA-N 1 2 420.535 2.588 20 0 HFADLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)co1 ZINC000788245020 1077085564 /nfs/dbraw/zinc/08/55/64/1077085564.db2.gz DHZHDRBVJZGDAU-HNNXBMFYSA-N 1 2 420.535 2.588 20 0 HFADLO O=C1C(=O)N(C[NH+]2CCC(F)(c3ccccc3)CC2)C(=O)N1CCc1cccs1 ZINC000788374203 1077132932 /nfs/dbraw/zinc/13/29/32/1077132932.db2.gz XIWLJGGGKXNXNS-UHFFFAOYSA-N 1 2 415.490 3.000 20 0 HFADLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cn2nccc2-c2ccc(F)c(Cl)c2)C1 ZINC000788385842 1077138615 /nfs/dbraw/zinc/13/86/15/1077138615.db2.gz GSQJZGNNHRYLLS-HNNXBMFYSA-N 1 2 412.918 2.800 20 0 HFADLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cn2nccc2-c2ccc(F)c(Cl)c2)C1 ZINC000788385842 1077138616 /nfs/dbraw/zinc/13/86/16/1077138616.db2.gz GSQJZGNNHRYLLS-HNNXBMFYSA-N 1 2 412.918 2.800 20 0 HFADLO O[C@@H](Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1)c1ccc(Cl)c(F)c1 ZINC000788426029 1077142463 /nfs/dbraw/zinc/14/24/63/1077142463.db2.gz NFVJFVICBRRSHS-OALUTQOASA-N 1 2 417.872 2.773 20 0 HFADLO O[C@@H](Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)c1ccc(Cl)c(F)c1 ZINC000788426029 1077142466 /nfs/dbraw/zinc/14/24/66/1077142466.db2.gz NFVJFVICBRRSHS-OALUTQOASA-N 1 2 417.872 2.773 20 0 HFADLO O=C(C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1)N[C@H](c1nccs1)c1ccccc1 ZINC000788474145 1077171336 /nfs/dbraw/zinc/17/13/36/1077171336.db2.gz MCWYOROFMWYGRZ-OALUTQOASA-N 1 2 411.531 2.517 20 0 HFADLO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788474628 1077171826 /nfs/dbraw/zinc/17/18/26/1077171826.db2.gz ONYFGTBMLMXZSN-QGZVFWFLSA-N 1 2 407.312 2.865 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCSC(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000788555627 1077199973 /nfs/dbraw/zinc/19/99/73/1077199973.db2.gz BZDIRKWCLDJDCC-QWHCGFSZSA-N 1 2 409.861 2.571 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCSC(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000788555627 1077199979 /nfs/dbraw/zinc/19/99/79/1077199979.db2.gz BZDIRKWCLDJDCC-QWHCGFSZSA-N 1 2 409.861 2.571 20 0 HFADLO CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000790987842 1077262120 /nfs/dbraw/zinc/26/21/20/1077262120.db2.gz IWGNWBITEVXUFH-WBVHZDCISA-N 1 2 404.536 2.864 20 0 HFADLO O=C(CCN1C(=S)N=NC1c1cccs1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000791020633 1077274153 /nfs/dbraw/zinc/27/41/53/1077274153.db2.gz AFCKOBACLVCOTE-CQSZACIVSA-N 1 2 401.517 2.760 20 0 HFADLO C[NH+](C)[C@H]1CCOc2c(NC(=O)Cn3c(=O)c4ccccc4[nH]c3=S)cccc21 ZINC000791039126 1077279499 /nfs/dbraw/zinc/27/94/99/1077279499.db2.gz MYBLCCXAWTVHDG-KRWDZBQOSA-N 1 2 410.499 2.709 20 0 HFADLO CN(C[C@H]1CCC[N@@H+]1CN1C(=O)C[C@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000788771000 1077284051 /nfs/dbraw/zinc/28/40/51/1077284051.db2.gz OXQYIURXNUKJBZ-RBUKOAKNSA-N 1 2 415.534 2.893 20 0 HFADLO CN(C[C@H]1CCC[N@H+]1CN1C(=O)C[C@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000788771000 1077284057 /nfs/dbraw/zinc/28/40/57/1077284057.db2.gz OXQYIURXNUKJBZ-RBUKOAKNSA-N 1 2 415.534 2.893 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2=O)c(C)c1 ZINC000788817475 1077307087 /nfs/dbraw/zinc/30/70/87/1077307087.db2.gz BPMKEOUVESRKPN-MOPGFXCFSA-N 1 2 407.518 2.690 20 0 HFADLO CS(=O)(=O)Nc1cccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000788843164 1077317557 /nfs/dbraw/zinc/31/75/57/1077317557.db2.gz SALXFKWCOZGKGX-UHFFFAOYSA-N 1 2 402.520 2.611 20 0 HFADLO Cc1sc(Br)nc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000791197111 1077321133 /nfs/dbraw/zinc/32/11/33/1077321133.db2.gz NRRYNVNUNXEDCU-AWEZNQCLSA-N 1 2 410.337 2.845 20 0 HFADLO Cc1sc(Br)nc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000791197111 1077321137 /nfs/dbraw/zinc/32/11/37/1077321137.db2.gz NRRYNVNUNXEDCU-AWEZNQCLSA-N 1 2 410.337 2.845 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000791249176 1077348406 /nfs/dbraw/zinc/34/84/06/1077348406.db2.gz SAAJMNVFHWIOPV-UHFFFAOYSA-N 1 2 410.474 2.725 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000788951178 1077359885 /nfs/dbraw/zinc/35/98/85/1077359885.db2.gz RKMPJZXIFWDFMH-SJLPKXTDSA-N 1 2 404.511 2.891 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000791295228 1077360148 /nfs/dbraw/zinc/36/01/48/1077360148.db2.gz AOFPWNFJIPOXEU-UHFFFAOYSA-N 1 2 405.863 2.839 20 0 HFADLO O=C(Cc1cccnc1Br)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000791299490 1077361877 /nfs/dbraw/zinc/36/18/77/1077361877.db2.gz RHCQLXRNBNGHGK-UHFFFAOYSA-N 1 2 404.308 2.610 20 0 HFADLO Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000791305406 1077366253 /nfs/dbraw/zinc/36/62/53/1077366253.db2.gz LIUFIDCPJHKVRC-INIZCTEOSA-N 1 2 410.478 2.502 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000791279991 1077367912 /nfs/dbraw/zinc/36/79/12/1077367912.db2.gz IWFHRRDUNNLOTR-UHFFFAOYSA-N 1 2 411.483 2.978 20 0 HFADLO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791340093 1077378948 /nfs/dbraw/zinc/37/89/48/1077378948.db2.gz XNINDGWEDAVKMG-LJQANCHMSA-N 1 2 405.520 2.818 20 0 HFADLO Cc1cc(N2CCN(C(=O)Cc3cccnc3Br)CC2)nc(C(C)C)[nH+]1 ZINC000791309380 1077381904 /nfs/dbraw/zinc/38/19/04/1077381904.db2.gz XCQOMAYOYUGKMH-UHFFFAOYSA-N 1 2 418.339 2.957 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(Br)n[nH]1 ZINC000791351071 1077390389 /nfs/dbraw/zinc/39/03/89/1077390389.db2.gz NMIVNBOTIXXPEW-AWEZNQCLSA-N 1 2 407.312 2.535 20 0 HFADLO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000789182457 1077427741 /nfs/dbraw/zinc/42/77/41/1077427741.db2.gz SJWOZYKZJXUGQU-SFHVURJKSA-N 1 2 401.507 2.714 20 0 HFADLO Fc1ccc(CCNC(=S)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000789239109 1077466667 /nfs/dbraw/zinc/46/66/67/1077466667.db2.gz OXSZGTMMWORGSO-NRFANRHFSA-N 1 2 401.551 2.776 20 0 HFADLO COc1ccc(C(=O)NC(=O)C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)cc1 ZINC000789315837 1077487383 /nfs/dbraw/zinc/48/73/83/1077487383.db2.gz RFXUKDXYGGCMNM-UHFFFAOYSA-N 1 2 417.893 2.791 20 0 HFADLO Cc1cccc(-n2ncc(C(=O)N3CC[NH2+][C@@H](c4cnn(C)c4)C3)c2C(F)(F)F)c1 ZINC001170100547 1077494176 /nfs/dbraw/zinc/49/41/76/1077494176.db2.gz DDKGNGQDCIUHEQ-QGZVFWFLSA-N 1 2 418.423 2.720 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000791662236 1077516356 /nfs/dbraw/zinc/51/63/56/1077516356.db2.gz ORLZUHGTHHPQMT-UVBSCNOISA-N 1 2 415.317 2.777 20 0 HFADLO Cc1cc(=O)c(C(=O)OCc2cc[nH+]c(N)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000791626819 1077518847 /nfs/dbraw/zinc/51/88/47/1077518847.db2.gz LFFCCBVPRZYJKJ-UHFFFAOYSA-N 1 2 404.348 2.894 20 0 HFADLO Cc1cc(C)c(N2CC[C@@H]([NH+]3CCN(c4ccc(C(N)=O)cc4)CC3)C2=O)c(C)c1 ZINC000789325917 1077520400 /nfs/dbraw/zinc/52/04/00/1077520400.db2.gz OXOCHSHKHUDWBK-OAQYLSRUSA-N 1 2 406.530 2.638 20 0 HFADLO CCCC(=O)NC[C@@H]1CCC[N@H+](CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789422583 1077552876 /nfs/dbraw/zinc/55/28/76/1077552876.db2.gz DEPKGZUHIOYWGB-HTAPYJJXSA-N 1 2 406.571 2.709 20 0 HFADLO CCCC(=O)NC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789422583 1077552878 /nfs/dbraw/zinc/55/28/78/1077552878.db2.gz DEPKGZUHIOYWGB-HTAPYJJXSA-N 1 2 406.571 2.709 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)C1=O ZINC000789425829 1077555164 /nfs/dbraw/zinc/55/51/64/1077555164.db2.gz QUIXKASFFSMZJL-HTAPYJJXSA-N 1 2 406.571 2.565 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)C1=O ZINC000789425829 1077555168 /nfs/dbraw/zinc/55/51/68/1077555168.db2.gz QUIXKASFFSMZJL-HTAPYJJXSA-N 1 2 406.571 2.565 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1=O ZINC000789425897 1077555504 /nfs/dbraw/zinc/55/55/04/1077555504.db2.gz RIZJIPGOVWHVOX-UZUQRXQVSA-N 1 2 420.598 2.955 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1=O ZINC000789425897 1077555506 /nfs/dbraw/zinc/55/55/06/1077555506.db2.gz RIZJIPGOVWHVOX-UZUQRXQVSA-N 1 2 420.598 2.955 20 0 HFADLO O=C1CN(c2ccccc2)C(=O)N1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789440965 1077573706 /nfs/dbraw/zinc/57/37/06/1077573706.db2.gz GYQINQNWIYHSKN-UHFFFAOYSA-N 1 2 400.429 2.903 20 0 HFADLO O=C1CN(c2ccccc2)C(=O)N1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789440965 1077573711 /nfs/dbraw/zinc/57/37/11/1077573711.db2.gz GYQINQNWIYHSKN-UHFFFAOYSA-N 1 2 400.429 2.903 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000789443733 1077575571 /nfs/dbraw/zinc/57/55/71/1077575571.db2.gz QZXKUPHPWGPVIY-OAHLLOKOSA-N 1 2 424.492 2.560 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000789443733 1077575575 /nfs/dbraw/zinc/57/55/75/1077575575.db2.gz QZXKUPHPWGPVIY-OAHLLOKOSA-N 1 2 424.492 2.560 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)C1=O ZINC000789443849 1077575594 /nfs/dbraw/zinc/57/55/94/1077575594.db2.gz OZIODAACGMRLMR-UGKGYDQZSA-N 1 2 407.555 2.741 20 0 HFADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(N4CCCCC4)cc3)[nH+]c12 ZINC000746813981 1077577655 /nfs/dbraw/zinc/57/76/55/1077577655.db2.gz PYTLIOHVXKNSBF-UHFFFAOYSA-N 1 2 405.502 2.930 20 0 HFADLO O=C(OC[C@@H]1CCCS(=O)(=O)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000791902563 1077590877 /nfs/dbraw/zinc/59/08/77/1077590877.db2.gz UTFQHTVUBWSWCF-FUHWJXTLSA-N 1 2 419.465 2.809 20 0 HFADLO O=C(OC[C@@H]1CCCS(=O)(=O)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000791902563 1077590881 /nfs/dbraw/zinc/59/08/81/1077590881.db2.gz UTFQHTVUBWSWCF-FUHWJXTLSA-N 1 2 419.465 2.809 20 0 HFADLO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000746823907 1077603214 /nfs/dbraw/zinc/60/32/14/1077603214.db2.gz GCMYKOKGSRIVEO-PKOBYXMFSA-N 1 2 405.539 2.507 20 0 HFADLO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000746823907 1077603217 /nfs/dbraw/zinc/60/32/17/1077603217.db2.gz GCMYKOKGSRIVEO-PKOBYXMFSA-N 1 2 405.539 2.507 20 0 HFADLO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1c2cnccc2n(Cc2ccccc2)c1=O ZINC000789521842 1077616875 /nfs/dbraw/zinc/61/68/75/1077616875.db2.gz UCHSTQTXYLCGHF-LJQANCHMSA-N 1 2 407.518 2.585 20 0 HFADLO CCNC(=O)C[C@H]1CCCC[N@H+]1Cn1c2cnccc2n(Cc2ccccc2)c1=O ZINC000789521842 1077616877 /nfs/dbraw/zinc/61/68/77/1077616877.db2.gz UCHSTQTXYLCGHF-LJQANCHMSA-N 1 2 407.518 2.585 20 0 HFADLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789524487 1077620948 /nfs/dbraw/zinc/62/09/48/1077620948.db2.gz FCQZGROHWFTEER-UIFIKXQLSA-N 1 2 407.514 2.748 20 0 HFADLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789524487 1077620956 /nfs/dbraw/zinc/62/09/56/1077620956.db2.gz FCQZGROHWFTEER-UIFIKXQLSA-N 1 2 407.514 2.748 20 0 HFADLO C[C@@H](CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)NC(=O)OC(C)(C)C ZINC000792116100 1077703132 /nfs/dbraw/zinc/70/31/32/1077703132.db2.gz WKFKMIYGPHECDS-RDJZCZTQSA-N 1 2 401.511 2.916 20 0 HFADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)c(=O)[nH]c1=O ZINC000772741820 1077717952 /nfs/dbraw/zinc/71/79/52/1077717952.db2.gz NVQJNYFLQGIZOO-CYBMUJFWSA-N 1 2 410.396 2.590 20 0 HFADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2C(F)(F)F)c(=O)[nH]c1=O ZINC000772741820 1077717955 /nfs/dbraw/zinc/71/79/55/1077717955.db2.gz NVQJNYFLQGIZOO-CYBMUJFWSA-N 1 2 410.396 2.590 20 0 HFADLO CC(C)(C)OC(=O)N[C@]1(C(=O)OCc2cc[nH+]c(N)c2)[C@H]2CCCO[C@H]2C1(C)C ZINC000792161465 1077727199 /nfs/dbraw/zinc/72/71/99/1077727199.db2.gz UFCQWMCTLXDXSS-PXARDIRTSA-N 1 2 405.495 2.806 20 0 HFADLO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1N)c1nnnn1C1CC1 ZINC000792195859 1077740745 /nfs/dbraw/zinc/74/07/45/1077740745.db2.gz GELVOGKVGSZNAC-SSDOTTSWSA-N 1 2 416.121 2.966 20 0 HFADLO Nc1cc(COC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc[nH+]1 ZINC000792200513 1077743162 /nfs/dbraw/zinc/74/31/62/1077743162.db2.gz AGZLFLKDDXQAPA-UHFFFAOYSA-N 1 2 401.419 2.961 20 0 HFADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NS(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000789759812 1077765039 /nfs/dbraw/zinc/76/50/39/1077765039.db2.gz SAUDAAILVVVIKD-NRFANRHFSA-N 1 2 411.527 2.865 20 0 HFADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NS(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000789759812 1077765048 /nfs/dbraw/zinc/76/50/48/1077765048.db2.gz SAUDAAILVVVIKD-NRFANRHFSA-N 1 2 411.527 2.865 20 0 HFADLO O=C(NCCNc1cccc[nH+]1)c1nc(Br)ccc1Br ZINC000792217302 1077771064 /nfs/dbraw/zinc/77/10/64/1077771064.db2.gz NFMGVBAAIMEUBT-UHFFFAOYSA-N 1 2 400.074 2.844 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)nc(=O)c2c1C ZINC000772792402 1077772141 /nfs/dbraw/zinc/77/21/41/1077772141.db2.gz BGKIAOZYHVBJBJ-KGLIPLIRSA-N 1 2 405.520 2.861 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@H+]3CCC[C@H]4CCC[C@@H]43)nc(=O)c2c1C ZINC000772792402 1077772146 /nfs/dbraw/zinc/77/21/46/1077772146.db2.gz BGKIAOZYHVBJBJ-KGLIPLIRSA-N 1 2 405.520 2.861 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3ccccc3-n3cc[nH+]c3)C2)c1 ZINC000792300180 1077796064 /nfs/dbraw/zinc/79/60/64/1077796064.db2.gz PWIVZJCVBCHWEB-OAQYLSRUSA-N 1 2 406.442 2.699 20 0 HFADLO CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C ZINC000789797199 1077802597 /nfs/dbraw/zinc/80/25/97/1077802597.db2.gz QPECGIOARYXYEW-UHFFFAOYSA-N 1 2 423.517 2.831 20 0 HFADLO O=C(Nc1cccc(C(F)(F)F)n1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789797328 1077802616 /nfs/dbraw/zinc/80/26/16/1077802616.db2.gz TVEGEGTYHKQJML-UHFFFAOYSA-N 1 2 421.423 2.978 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccccc2SC(F)F)C[C@H](C)O1 ZINC000789796648 1077802874 /nfs/dbraw/zinc/80/28/74/1077802874.db2.gz JHEFILXQQJYKGR-BETUJISGSA-N 1 2 401.479 2.507 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccccc2SC(F)F)C[C@H](C)O1 ZINC000789796648 1077802880 /nfs/dbraw/zinc/80/28/80/1077802880.db2.gz JHEFILXQQJYKGR-BETUJISGSA-N 1 2 401.479 2.507 20 0 HFADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1nc(Br)cs1 ZINC000792343959 1077827391 /nfs/dbraw/zinc/82/73/91/1077827391.db2.gz CEVZLCAFPMVEDW-UHFFFAOYSA-N 1 2 409.353 2.800 20 0 HFADLO COc1ccc(CC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)nc1 ZINC000789893049 1077852257 /nfs/dbraw/zinc/85/22/57/1077852257.db2.gz BMHJGLRHOLIYFH-UHFFFAOYSA-N 1 2 409.408 2.876 20 0 HFADLO C[C@H]([NH2+]CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1nnnn1C1CC1 ZINC000792473456 1077873241 /nfs/dbraw/zinc/87/32/41/1077873241.db2.gz MJFPPXMFFFFMGM-HRAATJIYSA-N 1 2 402.502 2.833 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000789974342 1077902668 /nfs/dbraw/zinc/90/26/68/1077902668.db2.gz WRMGMFRSDUWYLD-IEBWSBKVSA-N 1 2 409.571 2.783 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000789974342 1077902669 /nfs/dbraw/zinc/90/26/69/1077902669.db2.gz WRMGMFRSDUWYLD-IEBWSBKVSA-N 1 2 409.571 2.783 20 0 HFADLO Nc1[nH+]ccc2c1CN(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)CC2 ZINC001170257647 1077920063 /nfs/dbraw/zinc/92/00/63/1077920063.db2.gz IUHPEARGIFLEGJ-RUZDIDTESA-N 1 2 422.348 2.899 20 0 HFADLO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001170257465 1077920075 /nfs/dbraw/zinc/92/00/75/1077920075.db2.gz CAVJSVOXSZIUSR-QGZVFWFLSA-N 1 2 418.950 2.754 20 0 HFADLO COc1cc(/C=C/C(=O)N2CCc3cc[nH+]c(N)c3C2)cc(Br)c1O ZINC001170259846 1077920538 /nfs/dbraw/zinc/92/05/38/1077920538.db2.gz XRFTZBCBPZXIEJ-NSCUHMNNSA-N 1 2 404.264 2.739 20 0 HFADLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1[C@@H](C)Cc1ccccc1Cl ZINC001170275835 1077926880 /nfs/dbraw/zinc/92/68/80/1077926880.db2.gz YUYSVPIKERXIJI-WMLDXEAASA-N 1 2 400.914 2.794 20 0 HFADLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1[C@@H](C)Cc1ccccc1Cl ZINC001170275835 1077926883 /nfs/dbraw/zinc/92/68/83/1077926883.db2.gz YUYSVPIKERXIJI-WMLDXEAASA-N 1 2 400.914 2.794 20 0 HFADLO NC(=O)CC[N@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCOc2ccccc21 ZINC001170291066 1077939160 /nfs/dbraw/zinc/93/91/60/1077939160.db2.gz RELIQACCXVVGPB-KRWDZBQOSA-N 1 2 424.469 2.884 20 0 HFADLO NC(=O)CC[N@@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCOc2ccccc21 ZINC001170291066 1077939162 /nfs/dbraw/zinc/93/91/62/1077939162.db2.gz RELIQACCXVVGPB-KRWDZBQOSA-N 1 2 424.469 2.884 20 0 HFADLO CCCCc1nnc(NC(=O)C[N@H+](CCC(N)=O)[C@H]2CCOc3ccccc32)s1 ZINC001170291184 1077939204 /nfs/dbraw/zinc/93/92/04/1077939204.db2.gz SKYSQJPAJRCXBI-HNNXBMFYSA-N 1 2 417.535 2.520 20 0 HFADLO CCCCc1nnc(NC(=O)C[N@@H+](CCC(N)=O)[C@H]2CCOc3ccccc32)s1 ZINC001170291184 1077939206 /nfs/dbraw/zinc/93/92/06/1077939206.db2.gz SKYSQJPAJRCXBI-HNNXBMFYSA-N 1 2 417.535 2.520 20 0 HFADLO CC(C)CS(=O)(=O)CCC(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC001170320607 1077942656 /nfs/dbraw/zinc/94/26/56/1077942656.db2.gz NYDHNSIDJMHYJP-MRXNPFEDSA-N 1 2 408.486 2.885 20 0 HFADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790132629 1077952682 /nfs/dbraw/zinc/95/26/82/1077952682.db2.gz PQBBNLHOHONUHK-INIZCTEOSA-N 1 2 404.942 2.994 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)CC1 ZINC000792635058 1077955401 /nfs/dbraw/zinc/95/54/01/1077955401.db2.gz UINZABPSCLWPJW-UHFFFAOYSA-N 1 2 415.494 2.664 20 0 HFADLO CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1 ZINC001170385402 1077956767 /nfs/dbraw/zinc/95/67/67/1077956767.db2.gz HIHQMLDYMPOLHL-OAHLLOKOSA-N 1 2 405.520 2.861 20 0 HFADLO Cc1[nH]c(-c2cccc(NC(=O)C3CCN(c4ccc5nncn5n4)CC3)c2)[nH+]c1C ZINC000746882541 1077957974 /nfs/dbraw/zinc/95/79/74/1077957974.db2.gz BTZJXYACGDUZCL-UHFFFAOYSA-N 1 2 416.489 2.986 20 0 HFADLO O=C(NCCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)OCC(F)(F)F ZINC000790156294 1077960882 /nfs/dbraw/zinc/96/08/82/1077960882.db2.gz BJRWADMYUOLQBK-UHFFFAOYSA-N 1 2 402.417 2.604 20 0 HFADLO O=C(c1cccnc1)N1CCC(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000790156384 1077960923 /nfs/dbraw/zinc/96/09/23/1077960923.db2.gz CLSYFLVKLNISDY-UHFFFAOYSA-N 1 2 421.545 2.873 20 0 HFADLO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](Nc2c[nH+]ccc2OC)C1 ZINC001170377000 1077962496 /nfs/dbraw/zinc/96/24/96/1077962496.db2.gz SLLOUFPIFZRQDQ-IOMROCGXSA-N 1 2 419.522 2.842 20 0 HFADLO C[C@@H]1CSCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000792723508 1077974650 /nfs/dbraw/zinc/97/46/50/1077974650.db2.gz STABAUCYKANAAQ-BONVTDFDSA-N 1 2 418.382 2.920 20 0 HFADLO C[C@@H]1CSCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000792723508 1077974653 /nfs/dbraw/zinc/97/46/53/1077974653.db2.gz STABAUCYKANAAQ-BONVTDFDSA-N 1 2 418.382 2.920 20 0 HFADLO O=S(=O)(C[C@H]1CCCOC1)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000792751330 1077984901 /nfs/dbraw/zinc/98/49/01/1077984901.db2.gz BHXZLWGNGJTTIK-KRWDZBQOSA-N 1 2 419.547 2.652 20 0 HFADLO CCONC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000792774706 1077998660 /nfs/dbraw/zinc/99/86/60/1077998660.db2.gz UWZBJXPJSJCEHG-CQSZACIVSA-N 1 2 403.264 2.506 20 0 HFADLO CCONC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000792774706 1077998664 /nfs/dbraw/zinc/99/86/64/1077998664.db2.gz UWZBJXPJSJCEHG-CQSZACIVSA-N 1 2 403.264 2.506 20 0 HFADLO CCONC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000792774704 1077998745 /nfs/dbraw/zinc/99/87/45/1077998745.db2.gz UWZBJXPJSJCEHG-AWEZNQCLSA-N 1 2 403.264 2.506 20 0 HFADLO CCONC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000792774704 1077998748 /nfs/dbraw/zinc/99/87/48/1077998748.db2.gz UWZBJXPJSJCEHG-AWEZNQCLSA-N 1 2 403.264 2.506 20 0 HFADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000792864230 1078011016 /nfs/dbraw/zinc/01/10/16/1078011016.db2.gz ZGTQQSHCIKXQMV-RTBURBONSA-N 1 2 417.550 2.649 20 0 HFADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000792864230 1078011022 /nfs/dbraw/zinc/01/10/22/1078011022.db2.gz ZGTQQSHCIKXQMV-RTBURBONSA-N 1 2 417.550 2.649 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NCc2nc3ccccc3n2CC)[C@@H]1c1c[nH+]cn1C ZINC000792850363 1078014473 /nfs/dbraw/zinc/01/44/73/1078014473.db2.gz QRPCWSPAIJLMCZ-OPAMFIHVSA-N 1 2 422.533 2.796 20 0 HFADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3C[C@@H](C)OC4(CCOCC4)C3)cc2)C[C@@H](C)O1 ZINC000790368533 1078016106 /nfs/dbraw/zinc/01/61/06/1078016106.db2.gz JNFZFQVSTYHELZ-GUDVDZBRSA-N 1 2 417.550 2.509 20 0 HFADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3C[C@@H](C)OC4(CCOCC4)C3)cc2)C[C@@H](C)O1 ZINC000790368533 1078016112 /nfs/dbraw/zinc/01/61/12/1078016112.db2.gz JNFZFQVSTYHELZ-GUDVDZBRSA-N 1 2 417.550 2.509 20 0 HFADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3C[C@H](C)OC4(CCOCC4)C3)cc2)C[C@H](C)O1 ZINC000790368536 1078016182 /nfs/dbraw/zinc/01/61/82/1078016182.db2.gz JNFZFQVSTYHELZ-OTWHNJEPSA-N 1 2 417.550 2.509 20 0 HFADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3C[C@H](C)OC4(CCOCC4)C3)cc2)C[C@H](C)O1 ZINC000790368536 1078016189 /nfs/dbraw/zinc/01/61/89/1078016189.db2.gz JNFZFQVSTYHELZ-OTWHNJEPSA-N 1 2 417.550 2.509 20 0 HFADLO C[C@@]12CC[N@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@@H]1C2(Cl)Cl ZINC000792903130 1078019871 /nfs/dbraw/zinc/01/98/71/1078019871.db2.gz JLZOEUONRNBLRQ-XJKSGUPXSA-N 1 2 406.260 2.535 20 0 HFADLO C[C@@]12CC[N@@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@@H]1C2(Cl)Cl ZINC000792903130 1078019877 /nfs/dbraw/zinc/01/98/77/1078019877.db2.gz JLZOEUONRNBLRQ-XJKSGUPXSA-N 1 2 406.260 2.535 20 0 HFADLO O=S(=O)(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cnn([C@@H]2CCOC2)c1 ZINC000790421990 1078022473 /nfs/dbraw/zinc/02/24/73/1078022473.db2.gz JBNQSOQDQVBHDW-QGZVFWFLSA-N 1 2 414.487 2.812 20 0 HFADLO Cc1ccc(N(C(=O)C[N@@H+]2CCCCC[C@H]2CCO)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000792928084 1078027767 /nfs/dbraw/zinc/02/77/67/1078027767.db2.gz RTSXUGRYGWQLIP-PZJWPPBQSA-N 1 2 420.575 2.574 20 0 HFADLO Cc1ccc(N(C(=O)C[N@H+]2CCCCC[C@H]2CCO)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000792928084 1078027773 /nfs/dbraw/zinc/02/77/73/1078027773.db2.gz RTSXUGRYGWQLIP-PZJWPPBQSA-N 1 2 420.575 2.574 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1)C2 ZINC000790444784 1078033939 /nfs/dbraw/zinc/03/39/39/1078033939.db2.gz GKEDMBHDXPYQQB-IBGZPJMESA-N 1 2 409.530 2.831 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1)C2 ZINC000790444784 1078033943 /nfs/dbraw/zinc/03/39/43/1078033943.db2.gz GKEDMBHDXPYQQB-IBGZPJMESA-N 1 2 409.530 2.831 20 0 HFADLO COc1ccc2c(c1)C(=O)N(CN(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC000790444784 1078033947 /nfs/dbraw/zinc/03/39/47/1078033947.db2.gz GKEDMBHDXPYQQB-IBGZPJMESA-N 1 2 409.530 2.831 20 0 HFADLO Cc1ccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)nc1Br ZINC000792956171 1078035202 /nfs/dbraw/zinc/03/52/02/1078035202.db2.gz LHQVHTLODIWJNW-LBPRGKRZSA-N 1 2 408.300 2.519 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000790449994 1078035195 /nfs/dbraw/zinc/03/51/95/1078035195.db2.gz GGRXWAUAUQTVGP-GOPGUHFVSA-N 1 2 421.908 2.996 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000790449994 1078035199 /nfs/dbraw/zinc/03/51/99/1078035199.db2.gz GGRXWAUAUQTVGP-GOPGUHFVSA-N 1 2 421.908 2.996 20 0 HFADLO C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)C[C@H]1Cc1ccccc1 ZINC000790458003 1078037585 /nfs/dbraw/zinc/03/75/85/1078037585.db2.gz AIRZBFFFXKKTDV-CQSZACIVSA-N 1 2 410.952 2.597 20 0 HFADLO C[N@H+]1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)C[C@H]1Cc1ccccc1 ZINC000790458003 1078037590 /nfs/dbraw/zinc/03/75/90/1078037590.db2.gz AIRZBFFFXKKTDV-CQSZACIVSA-N 1 2 410.952 2.597 20 0 HFADLO COCC[N@H+](Cn1nc(-c2ccco2)n(CCC(N)=O)c1=S)[C@@H]1CC[C@@H](C)C1 ZINC000790478801 1078040706 /nfs/dbraw/zinc/04/07/06/1078040706.db2.gz MHZOIDYLTBYAGS-HUUCEWRRSA-N 1 2 407.540 2.644 20 0 HFADLO COCC[N@@H+](Cn1nc(-c2ccco2)n(CCC(N)=O)c1=S)[C@@H]1CC[C@@H](C)C1 ZINC000790478801 1078040712 /nfs/dbraw/zinc/04/07/12/1078040712.db2.gz MHZOIDYLTBYAGS-HUUCEWRRSA-N 1 2 407.540 2.644 20 0 HFADLO COc1ccccc1CNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806285669 1079548627 /nfs/dbraw/zinc/54/86/27/1079548627.db2.gz MZKOHHIJXUTOGL-GOSISDBHSA-N 1 2 418.538 2.532 20 0 HFADLO COc1ncc(C)cc1NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806326796 1079599454 /nfs/dbraw/zinc/59/94/54/1079599454.db2.gz VTKRHNCEURLENI-INIZCTEOSA-N 1 2 419.526 2.558 20 0 HFADLO C[C@@H](Cc1ccco1)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806406222 1079693367 /nfs/dbraw/zinc/69/33/67/1079693367.db2.gz VKWPCKOBYWECGQ-DLBZAZTESA-N 1 2 406.527 2.547 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc(F)c(F)c3)C2)CC1 ZINC000806539105 1079776780 /nfs/dbraw/zinc/77/67/80/1079776780.db2.gz GPTYBRWBNJIUPW-MRXNPFEDSA-N 1 2 424.492 2.801 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3cc(Cl)ccn3)C2)CC1 ZINC000806533290 1079805370 /nfs/dbraw/zinc/80/53/70/1079805370.db2.gz POVALXLAQICBEL-HNNXBMFYSA-N 1 2 409.918 2.894 20 0 HFADLO Cc1cccn2cc(CCNC(=O)C(=O)N[C@H](c3ccccc3)C3CCOCC3)[nH+]c12 ZINC000806536395 1079808557 /nfs/dbraw/zinc/80/85/57/1079808557.db2.gz CLYPCYXYEYGBOV-OAQYLSRUSA-N 1 2 420.513 2.586 20 0 HFADLO Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H](C)c3nc4ccccc4s3)[nH+]c12 ZINC000806537339 1079809223 /nfs/dbraw/zinc/80/92/23/1079809223.db2.gz KEBFBFKZJIHSJO-AWEZNQCLSA-N 1 2 407.499 2.789 20 0 HFADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000806603883 1079846199 /nfs/dbraw/zinc/84/61/99/1079846199.db2.gz AQYQYNHHQIEAMN-AEFFLSMTSA-N 1 2 421.328 2.609 20 0 HFADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000806603883 1079846209 /nfs/dbraw/zinc/84/62/09/1079846209.db2.gz AQYQYNHHQIEAMN-AEFFLSMTSA-N 1 2 421.328 2.609 20 0 HFADLO Cc1csc([C@@H](C)NC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000806715404 1079941629 /nfs/dbraw/zinc/94/16/29/1079941629.db2.gz GVZXEICEENWQQU-HZPDHXFCSA-N 1 2 423.583 2.849 20 0 HFADLO C[C@@H](NC(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000806741815 1079997012 /nfs/dbraw/zinc/99/70/12/1079997012.db2.gz RLGBCSUWNNCPHG-WTGUMLROSA-N 1 2 424.586 2.528 20 0 HFADLO Cc1ccc(CCNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000806819433 1080037490 /nfs/dbraw/zinc/03/74/90/1080037490.db2.gz CHUUPUICNGGFIQ-HXUWFJFHSA-N 1 2 416.566 2.874 20 0 HFADLO CNC(=O)CC[C@H]1CCCCN1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000806868772 1080069234 /nfs/dbraw/zinc/06/92/34/1080069234.db2.gz GSDAKVCCLOZICX-OAQYLSRUSA-N 1 2 415.582 2.812 20 0 HFADLO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000806881467 1080079268 /nfs/dbraw/zinc/07/92/68/1080079268.db2.gz NWSFBIOMMPLUTB-HNAYVOBHSA-N 1 2 424.423 2.841 20 0 HFADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000806880908 1080079874 /nfs/dbraw/zinc/07/98/74/1080079874.db2.gz BMMOTNZPGHGBPX-RBUKOAKNSA-N 1 2 413.522 2.966 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000806888317 1080085097 /nfs/dbraw/zinc/08/50/97/1080085097.db2.gz GQGVCDVOCXETCD-MSOLQXFVSA-N 1 2 413.534 2.866 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000806888317 1080085105 /nfs/dbraw/zinc/08/51/05/1080085105.db2.gz GQGVCDVOCXETCD-MSOLQXFVSA-N 1 2 413.534 2.866 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000806898509 1080104933 /nfs/dbraw/zinc/10/49/33/1080104933.db2.gz GBFKUODHAVKEDM-GOSISDBHSA-N 1 2 401.511 2.838 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)CCSC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807059063 1080240737 /nfs/dbraw/zinc/24/07/37/1080240737.db2.gz HCHJCUQUKRZGRT-AFAVFJNCSA-N 1 2 415.962 2.988 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)CCSC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807059063 1080240748 /nfs/dbraw/zinc/24/07/48/1080240748.db2.gz HCHJCUQUKRZGRT-AFAVFJNCSA-N 1 2 415.962 2.988 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)CCSC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807059081 1080240921 /nfs/dbraw/zinc/24/09/21/1080240921.db2.gz HCHJCUQUKRZGRT-DQYPLSBCSA-N 1 2 415.962 2.988 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)CCSC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807059081 1080240929 /nfs/dbraw/zinc/24/09/29/1080240929.db2.gz HCHJCUQUKRZGRT-DQYPLSBCSA-N 1 2 415.962 2.988 20 0 HFADLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(Br)ncc1Cl ZINC000807080094 1080261219 /nfs/dbraw/zinc/26/12/19/1080261219.db2.gz NSFDKLNNCQSOAC-KBPBESRZSA-N 1 2 402.720 2.871 20 0 HFADLO O=C(N[C@H](c1ccccc1)C1CCOCC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000807088711 1080266093 /nfs/dbraw/zinc/26/60/93/1080266093.db2.gz RXMQQGNHHXHMPV-HSZRJFAPSA-N 1 2 421.541 2.615 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000807104632 1080283406 /nfs/dbraw/zinc/28/34/06/1080283406.db2.gz JNRKHVAVZQAIES-FGSXEWAUSA-N 1 2 424.586 2.528 20 0 HFADLO CC[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000807165620 1080321861 /nfs/dbraw/zinc/32/18/61/1080321861.db2.gz JKYSERMBOHHDIT-IEBWSBKVSA-N 1 2 400.567 2.923 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000807283846 1080443109 /nfs/dbraw/zinc/44/31/09/1080443109.db2.gz LBEDLBHCJGLWNN-MRXNPFEDSA-N 1 2 402.248 2.770 20 0 HFADLO O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001130906863 1080499570 /nfs/dbraw/zinc/49/95/70/1080499570.db2.gz DKIQYZPYRRNBSL-OCCSQVGLSA-N 1 2 408.911 2.677 20 0 HFADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)Cc3ccc(C)nc3Cl)c2)CC1 ZINC000807321096 1080513715 /nfs/dbraw/zinc/51/37/15/1080513715.db2.gz PURGHOQWVYVMQA-UHFFFAOYSA-N 1 2 400.910 2.889 20 0 HFADLO COc1cc(NC(=O)C(C)(C)C)c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000747400723 1080745573 /nfs/dbraw/zinc/74/55/73/1080745573.db2.gz LPVHVETXUMMMOI-CQSZACIVSA-N 1 2 402.495 2.951 20 0 HFADLO C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Cn1cc[nH+]c1 ZINC000747400728 1080745955 /nfs/dbraw/zinc/74/59/55/1080745955.db2.gz LWWTZZUOCBOATD-OAHLLOKOSA-N 1 2 424.954 2.777 20 0 HFADLO COC[C@]1(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554671 1080805536 /nfs/dbraw/zinc/80/55/36/1080805536.db2.gz ZCWSLWRBNLIZAH-DYESRHJHSA-N 1 2 421.542 2.646 20 0 HFADLO COC[C@@]1(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554673 1080805596 /nfs/dbraw/zinc/80/55/96/1080805596.db2.gz ZCWSLWRBNLIZAH-UTKZUKDTSA-N 1 2 421.542 2.646 20 0 HFADLO COC(=O)Cc1cccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673762 719506582 /nfs/dbraw/zinc/50/65/82/719506582.db2.gz RIFRLPAXVNMPOY-UHFFFAOYSA-N 1 2 413.493 2.808 20 0 HFADLO COC(=O)Cc1cccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673762 719506593 /nfs/dbraw/zinc/50/65/93/719506593.db2.gz RIFRLPAXVNMPOY-UHFFFAOYSA-N 1 2 413.493 2.808 20 0 HFADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001164676495 719564087 /nfs/dbraw/zinc/56/40/87/719564087.db2.gz CNVOVXHDGJZYPD-UHFFFAOYSA-N 1 2 423.807 2.862 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2c(Cl)cccc2n1 ZINC001164701625 719849360 /nfs/dbraw/zinc/84/93/60/719849360.db2.gz MOHKNJIJFGDTNC-VLIAUNLRSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2cc(Cl)ccc2n1 ZINC001164697971 719850067 /nfs/dbraw/zinc/85/00/67/719850067.db2.gz CWTJEODWRMXEAG-QRWLVFNGSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)c2cc(OC)ccc2n1 ZINC001164705137 719854604 /nfs/dbraw/zinc/85/46/04/719854604.db2.gz TVXKSEWASHGGLK-GAJHUEQPSA-N 1 2 413.518 2.785 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2ccc(Cl)nc2cn1 ZINC001164706037 719856930 /nfs/dbraw/zinc/85/69/30/719856930.db2.gz WJTBLIMTPIVMQC-FOIQADDNSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(CC(C)C)nc(Cl)c1C ZINC001164708469 719876707 /nfs/dbraw/zinc/87/67/07/719876707.db2.gz ZKGOCNJOSGFJPS-KKSFZXQISA-N 1 2 424.973 2.870 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(F)c(-c2ccsc2)n1 ZINC001164699779 719878348 /nfs/dbraw/zinc/87/83/48/719878348.db2.gz IJXSLDFJIRFFIA-QRWLVFNGSA-N 1 2 420.510 2.577 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5occc54)CC3)C2=O)cs1 ZINC001164824838 720358231 /nfs/dbraw/zinc/35/82/31/720358231.db2.gz NZDMRCAQXQOKRN-UHFFFAOYSA-N 1 2 411.531 2.906 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5occc54)CC3)C2=O)cs1 ZINC001164824838 720358240 /nfs/dbraw/zinc/35/82/40/720358240.db2.gz NZDMRCAQXQOKRN-UHFFFAOYSA-N 1 2 411.531 2.906 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nncc5ccccc54)CC3)C2=O)cs1 ZINC001164824030 720364169 /nfs/dbraw/zinc/36/41/69/720364169.db2.gz HJQPOXYNZYXCTL-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nncc5ccccc54)CC3)C2=O)cs1 ZINC001164824030 720364175 /nfs/dbraw/zinc/36/41/75/720364175.db2.gz HJQPOXYNZYXCTL-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO FC(F)(c1cnc(Cl)nc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830075 720396778 /nfs/dbraw/zinc/39/67/78/720396778.db2.gz PQRCYQMHQTXUCG-UHFFFAOYSA-N 1 2 415.235 2.575 20 0 HFADLO FC(F)(c1cc(C2CC2)nnc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164829599 720398936 /nfs/dbraw/zinc/39/89/36/720398936.db2.gz NUUUDKJGDILEIZ-UHFFFAOYSA-N 1 2 420.855 2.799 20 0 HFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc(Cl)c(F)c1)C2 ZINC001164858670 720895199 /nfs/dbraw/zinc/89/51/99/720895199.db2.gz NCIWMRPADKYTJQ-UHFFFAOYSA-N 1 2 424.814 2.631 20 0 HFADLO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1S(C)(=O)=O)[C@H]2C ZINC001164863388 720997203 /nfs/dbraw/zinc/99/72/03/720997203.db2.gz UVNGKCRSDWFXBU-ZDUSSCGKSA-N 1 2 411.959 2.756 20 0 HFADLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1S(C)(=O)=O)[C@H]2C ZINC001164863388 720997215 /nfs/dbraw/zinc/99/72/15/720997215.db2.gz UVNGKCRSDWFXBU-ZDUSSCGKSA-N 1 2 411.959 2.756 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001164880769 721324499 /nfs/dbraw/zinc/32/44/99/721324499.db2.gz ZBUBRMLCLLDHDQ-DKSSEZFCSA-N 1 2 415.925 2.670 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001164880769 721324502 /nfs/dbraw/zinc/32/45/02/721324502.db2.gz ZBUBRMLCLLDHDQ-DKSSEZFCSA-N 1 2 415.925 2.670 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cnc(OCc3ccccc3)cn1)C2 ZINC001165008163 721709624 /nfs/dbraw/zinc/70/96/24/721709624.db2.gz BTJYYPQAELNSAY-UHFFFAOYSA-N 1 2 407.522 2.898 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cnc(OCc3ccccc3)cn1)C2 ZINC001165008163 721709628 /nfs/dbraw/zinc/70/96/28/721709628.db2.gz BTJYYPQAELNSAY-UHFFFAOYSA-N 1 2 407.522 2.898 20 0 HFADLO Fc1ccc2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164913185 721795882 /nfs/dbraw/zinc/79/58/82/721795882.db2.gz ANDUXOLMXVJGAX-QHCPKHFHSA-N 1 2 408.477 2.877 20 0 HFADLO Fc1ccc2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164913185 721795885 /nfs/dbraw/zinc/79/58/85/721795885.db2.gz ANDUXOLMXVJGAX-QHCPKHFHSA-N 1 2 408.477 2.877 20 0 HFADLO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165044794 721953580 /nfs/dbraw/zinc/95/35/80/721953580.db2.gz PTTGENSUUUHFAI-UHFFFAOYSA-N 1 2 411.884 2.942 20 0 HFADLO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165043966 721959955 /nfs/dbraw/zinc/95/99/55/721959955.db2.gz AXTKYXLVXWNION-UHFFFAOYSA-N 1 2 408.840 2.704 20 0 HFADLO COc1cc(Cl)ncc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944965 721972670 /nfs/dbraw/zinc/97/26/70/721972670.db2.gz LBNRCEFGGYYJOO-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO COc1cc(Cl)ncc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944965 721972673 /nfs/dbraw/zinc/97/26/73/721972673.db2.gz LBNRCEFGGYYJOO-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc3ccc(F)cc3n1)CC2 ZINC001164946805 721973158 /nfs/dbraw/zinc/97/31/58/721973158.db2.gz WLXMCYPNHHCFBD-UHFFFAOYSA-N 1 2 405.477 2.740 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc3ccc(F)cc3n1)CC2 ZINC001164946805 721973160 /nfs/dbraw/zinc/97/31/60/721973160.db2.gz WLXMCYPNHHCFBD-UHFFFAOYSA-N 1 2 405.477 2.740 20 0 HFADLO CC(C)Sc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nn1 ZINC001164946368 721980239 /nfs/dbraw/zinc/98/02/39/721980239.db2.gz DFVWRAHQBVSBIS-UHFFFAOYSA-N 1 2 411.575 2.948 20 0 HFADLO CC(C)Sc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nn1 ZINC001164946368 721980240 /nfs/dbraw/zinc/98/02/40/721980240.db2.gz DFVWRAHQBVSBIS-UHFFFAOYSA-N 1 2 411.575 2.948 20 0 HFADLO Cc1cc(CN(C)c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC001165051391 721990307 /nfs/dbraw/zinc/99/03/07/721990307.db2.gz PQZWAFQMEPDCQZ-UHFFFAOYSA-N 1 2 418.545 2.718 20 0 HFADLO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC001165004530 722267921 /nfs/dbraw/zinc/26/79/21/722267921.db2.gz BDUZJZBDTFDJOG-QHCPKHFHSA-N 1 2 424.524 2.534 20 0 HFADLO Cc1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)nc1Br ZINC000793034543 1078052519 /nfs/dbraw/zinc/05/25/19/1078052519.db2.gz OOVUXEPWILNCHJ-UHFFFAOYSA-N 1 2 400.236 2.915 20 0 HFADLO COCC1(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793137911 1078088275 /nfs/dbraw/zinc/08/82/75/1078088275.db2.gz RHFOCDPGLNHZEY-UHFFFAOYSA-N 1 2 424.567 2.733 20 0 HFADLO COCC1(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793137911 1078088280 /nfs/dbraw/zinc/08/82/80/1078088280.db2.gz RHFOCDPGLNHZEY-UHFFFAOYSA-N 1 2 424.567 2.733 20 0 HFADLO C[C@H](CNC(=O)c1nc(Br)ccc1Br)Cn1cc[nH+]c1 ZINC000790663075 1078096434 /nfs/dbraw/zinc/09/64/34/1078096434.db2.gz ZKJBTGHCOOCMPJ-SECBINFHSA-N 1 2 402.090 2.869 20 0 HFADLO Cc1ccc(C(=O)OCCc2c[nH+]cn2C)cc1S(=O)(=O)NCc1ccccc1 ZINC000793239417 1078108133 /nfs/dbraw/zinc/10/81/33/1078108133.db2.gz BAZLSGYNVAWBSO-UHFFFAOYSA-N 1 2 413.499 2.607 20 0 HFADLO COc1ccccc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000793249307 1078110423 /nfs/dbraw/zinc/11/04/23/1078110423.db2.gz GTKAZXITPUFHIG-DBVUQKKJSA-N 1 2 411.502 2.988 20 0 HFADLO CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCCc1c[nH+]cn1C ZINC000793256980 1078111730 /nfs/dbraw/zinc/11/17/30/1078111730.db2.gz RKFUHCPOHXHMDX-FQEVSTJZSA-N 1 2 415.515 2.662 20 0 HFADLO CN(C[C@@H]1C[C@H](F)CN1C(=O)NCCCNc1cccc[nH+]1)C(=O)OC(C)(C)C ZINC000790730845 1078118299 /nfs/dbraw/zinc/11/82/99/1078118299.db2.gz STDMWFDHZIDZJW-HOTGVXAUSA-N 1 2 409.506 2.873 20 0 HFADLO CCOC(=O)c1oc2ccccc2c1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000793351071 1078155952 /nfs/dbraw/zinc/15/59/52/1078155952.db2.gz APGNCEDPVKTQOW-SFHVURJKSA-N 1 2 400.475 2.869 20 0 HFADLO CCOC(=O)c1oc2ccccc2c1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000793351071 1078155953 /nfs/dbraw/zinc/15/59/53/1078155953.db2.gz APGNCEDPVKTQOW-SFHVURJKSA-N 1 2 400.475 2.869 20 0 HFADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(F)(F)C2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000790834174 1078160897 /nfs/dbraw/zinc/16/08/97/1078160897.db2.gz MMFWNTLCHFVHDB-DLBZAZTESA-N 1 2 402.869 2.890 20 0 HFADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C(F)(F)C2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000790834174 1078160900 /nfs/dbraw/zinc/16/09/00/1078160900.db2.gz MMFWNTLCHFVHDB-DLBZAZTESA-N 1 2 402.869 2.890 20 0 HFADLO COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000793463536 1078180299 /nfs/dbraw/zinc/18/02/99/1078180299.db2.gz JIIUEGUTZSYPLZ-UHFFFAOYSA-N 1 2 406.486 2.986 20 0 HFADLO COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000793463536 1078180300 /nfs/dbraw/zinc/18/03/00/1078180300.db2.gz JIIUEGUTZSYPLZ-UHFFFAOYSA-N 1 2 406.486 2.986 20 0 HFADLO O=C(/C(=C/c1cccs1)n1nnnc1-c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000793502613 1078204390 /nfs/dbraw/zinc/20/43/90/1078204390.db2.gz CVOBQTXJFSIHFQ-WQRHYEAKSA-N 1 2 403.471 2.639 20 0 HFADLO Cn1c[nH+]cc1CCC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000793582950 1078214739 /nfs/dbraw/zinc/21/47/39/1078214739.db2.gz NCEWLKHAUBFTDQ-OAHLLOKOSA-N 1 2 409.330 2.938 20 0 HFADLO COc1ccc2nc(CN3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)sc2c1 ZINC000793604955 1078222605 /nfs/dbraw/zinc/22/26/05/1078222605.db2.gz TXVNNIURGCPPOO-AWEZNQCLSA-N 1 2 406.552 2.946 20 0 HFADLO COc1ccc2nc(CN3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)sc2c1 ZINC000793604955 1078222608 /nfs/dbraw/zinc/22/26/08/1078222608.db2.gz TXVNNIURGCPPOO-AWEZNQCLSA-N 1 2 406.552 2.946 20 0 HFADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C2 ZINC000793617285 1078228676 /nfs/dbraw/zinc/22/86/76/1078228676.db2.gz XJXUKONJODPQHF-UHFFFAOYSA-N 1 2 411.568 2.598 20 0 HFADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C2 ZINC000793617285 1078228678 /nfs/dbraw/zinc/22/86/78/1078228678.db2.gz XJXUKONJODPQHF-UHFFFAOYSA-N 1 2 411.568 2.598 20 0 HFADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000793721617 1078266233 /nfs/dbraw/zinc/26/62/33/1078266233.db2.gz YSDPARFYXQMEBD-PKOBYXMFSA-N 1 2 424.526 2.665 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CN3C(=O)CN(c4ccccc4)C3=O)CC[C@H]21 ZINC000793703574 1078275523 /nfs/dbraw/zinc/27/55/23/1078275523.db2.gz HHHJHWGMZKKCOD-FUHWJXTLSA-N 1 2 414.506 2.744 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CN3C(=O)CN(c4ccccc4)C3=O)CC[C@H]21 ZINC000793703574 1078275526 /nfs/dbraw/zinc/27/55/26/1078275526.db2.gz HHHJHWGMZKKCOD-FUHWJXTLSA-N 1 2 414.506 2.744 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@@H+]1CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C1)C2 ZINC000793708423 1078277349 /nfs/dbraw/zinc/27/73/49/1078277349.db2.gz PCRNXVUKJTYFMK-LPHOPBHVSA-N 1 2 401.507 2.940 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@H+]1CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C1)C2 ZINC000793708423 1078277351 /nfs/dbraw/zinc/27/73/51/1078277351.db2.gz PCRNXVUKJTYFMK-LPHOPBHVSA-N 1 2 401.507 2.940 20 0 HFADLO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000793777344 1078308751 /nfs/dbraw/zinc/30/87/51/1078308751.db2.gz FAQGCEKERMQLJR-MRXNPFEDSA-N 1 2 410.449 2.520 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000793780361 1078309760 /nfs/dbraw/zinc/30/97/60/1078309760.db2.gz CHENBINYMFFSDZ-LEWJYISDSA-N 1 2 422.460 2.664 20 0 HFADLO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)s1 ZINC000793855160 1078324732 /nfs/dbraw/zinc/32/47/32/1078324732.db2.gz XXJPDERSTQMOBU-MRXNPFEDSA-N 1 2 415.563 2.804 20 0 HFADLO O=C(CCSCc1cc(Br)no1)N1CCN(c2cccc[nH+]2)CC1 ZINC000793963721 1078348129 /nfs/dbraw/zinc/34/81/29/1078348129.db2.gz GQOOBKPJRVYBLI-UHFFFAOYSA-N 1 2 411.325 2.804 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000793978979 1078349568 /nfs/dbraw/zinc/34/95/68/1078349568.db2.gz YBRWMYIWQJNYQQ-FVINQWEUSA-N 1 2 403.385 2.590 20 0 HFADLO Cc1nc(NCc2cccc(C(=O)Oc3ccc4c(c3)n(C)c(=O)n4C)c2)cc[nH+]1 ZINC000794164330 1078379330 /nfs/dbraw/zinc/37/93/30/1078379330.db2.gz JTVJEYHEBYQUKQ-UHFFFAOYSA-N 1 2 403.442 2.807 20 0 HFADLO CC[N@@H+]1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)[C@H](C)C1 ZINC000804380931 1078440114 /nfs/dbraw/zinc/44/01/14/1078440114.db2.gz YBJNLJJKVWYMSS-MRXNPFEDSA-N 1 2 402.564 2.798 20 0 HFADLO CC[N@H+]1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)[C@H](C)C1 ZINC000804380931 1078440119 /nfs/dbraw/zinc/44/01/19/1078440119.db2.gz YBJNLJJKVWYMSS-MRXNPFEDSA-N 1 2 402.564 2.798 20 0 HFADLO COc1c[nH+]c(N2CCC(c3cn[nH]c3)CC2)nc1N1CCC(c2cn[nH]c2)CC1 ZINC000804402454 1078467123 /nfs/dbraw/zinc/46/71/23/1078467123.db2.gz WHQVBUTXZCWXGO-UHFFFAOYSA-N 1 2 408.510 2.699 20 0 HFADLO C[C@@H]1[C@@H](CO)CCCN1C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129772805 1078483160 /nfs/dbraw/zinc/48/31/60/1078483160.db2.gz FUKXGTMZQCZLRV-UYAOXDASSA-N 1 2 419.566 2.633 20 0 HFADLO C[C@@H]1[C@@H](CO)CCCN1C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129772805 1078483163 /nfs/dbraw/zinc/48/31/63/1078483163.db2.gz FUKXGTMZQCZLRV-UYAOXDASSA-N 1 2 419.566 2.633 20 0 HFADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCC2(c3ccc(Cl)cc3)CC2)C1 ZINC000804461857 1078502979 /nfs/dbraw/zinc/50/29/79/1078502979.db2.gz VYRZXNICTATAJS-OAHLLOKOSA-N 1 2 400.910 2.628 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1 ZINC001129822528 1078517060 /nfs/dbraw/zinc/51/70/60/1078517060.db2.gz FIYUPTXRDIQJRN-UHFFFAOYSA-N 1 2 415.968 2.944 20 0 HFADLO Cc1cc(C)c(CNC(=O)c2ccc3ncc(I)n3c2)c[nH+]1 ZINC001129841459 1078527400 /nfs/dbraw/zinc/52/74/00/1078527400.db2.gz HBOZLAYVLSEHKC-UHFFFAOYSA-N 1 2 406.227 2.881 20 0 HFADLO CC(C)(C[NH+]1CCOCC1)NC(=O)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC001129857149 1078537350 /nfs/dbraw/zinc/53/73/50/1078537350.db2.gz JSNUTSGGRBMBSV-UHFFFAOYSA-N 1 2 420.941 2.925 20 0 HFADLO CN(C[C@@H]1C[C@H](F)CN1c1cc(N2CCCC[C@@H]2CO)[nH+]cn1)C(=O)OC(C)(C)C ZINC000804704104 1078570462 /nfs/dbraw/zinc/57/04/62/1078570462.db2.gz DATDGXYDKUCXIP-BBWFWOEESA-N 1 2 423.533 2.612 20 0 HFADLO CN(C[C@@H]1C[C@H](F)CN1c1cc(N2CCCC[C@@H]2CO)nc[nH+]1)C(=O)OC(C)(C)C ZINC000804704104 1078570468 /nfs/dbraw/zinc/57/04/68/1078570468.db2.gz DATDGXYDKUCXIP-BBWFWOEESA-N 1 2 423.533 2.612 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC(=O)[C@H]2C[C@@H]2F)CC1 ZINC001129624050 1078598360 /nfs/dbraw/zinc/59/83/60/1078598360.db2.gz ZYVRXDWUQIKRGA-HOTGVXAUSA-N 1 2 407.486 2.915 20 0 HFADLO C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 ZINC000804762174 1078614485 /nfs/dbraw/zinc/61/44/85/1078614485.db2.gz QYNJGBRWPGLQFZ-PKOBYXMFSA-N 1 2 402.539 2.729 20 0 HFADLO Cc1nc(Cl)ccc1CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760867 1078612028 /nfs/dbraw/zinc/61/20/28/1078612028.db2.gz QFMMIUFFXQVCDN-QGZVFWFLSA-N 1 2 422.957 2.740 20 0 HFADLO Cc1ccncc1/C=C/C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804765001 1078622132 /nfs/dbraw/zinc/62/21/32/1078622132.db2.gz RDSSSUPTVPVPHC-ZMBJWTFHSA-N 1 2 400.523 2.557 20 0 HFADLO CSCC[C@@H](C(=O)NCc1c[nH+]c(C)cc1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001129715428 1078670171 /nfs/dbraw/zinc/67/01/71/1078670171.db2.gz WLGNRYJTCPIYJN-KSZLIROESA-N 1 2 403.548 2.612 20 0 HFADLO CC(C)(C)OC(=O)N1CCN([C@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C2)CC1 ZINC000804833723 1078673314 /nfs/dbraw/zinc/67/33/14/1078673314.db2.gz IMCNPEFYLWIXOJ-SFHVURJKSA-N 1 2 416.570 2.598 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3cc(N4CCCCC4)ncn3)C2)CC1 ZINC000804833723 1078673316 /nfs/dbraw/zinc/67/33/16/1078673316.db2.gz IMCNPEFYLWIXOJ-SFHVURJKSA-N 1 2 416.570 2.598 20 0 HFADLO Cc1cc(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)nc(-c2ccccn2)n1 ZINC000804834519 1078674945 /nfs/dbraw/zinc/67/49/45/1078674945.db2.gz JFYYDWZNERESQE-GOSISDBHSA-N 1 2 424.549 2.978 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3cc(Br)ccn3)C2)CC1 ZINC000804834296 1078675370 /nfs/dbraw/zinc/67/53/70/1078675370.db2.gz FKINAKRNPGKEMC-OAHLLOKOSA-N 1 2 411.344 2.976 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3nc4ccccc4cc3CO)C2)CC1 ZINC000804834323 1078675395 /nfs/dbraw/zinc/67/53/95/1078675395.db2.gz GILLWJZGHRCSEF-IBGZPJMESA-N 1 2 412.534 2.859 20 0 HFADLO Cc1nc2c(c(N3CC[C@@H]([NH+]4CCN(C(=O)OC(C)(C)C)CC4)C3)n1)CCCC2 ZINC000804834046 1078675958 /nfs/dbraw/zinc/67/59/58/1078675958.db2.gz VKVZRUGMLUQBLD-QGZVFWFLSA-N 1 2 401.555 2.795 20 0 HFADLO Cc1nc2c(c(N3CC[C@H]([NH+]4CCN(C(=O)OC(C)(C)C)CC4)C3)n1)CCCC2 ZINC000804834045 1078675984 /nfs/dbraw/zinc/67/59/84/1078675984.db2.gz VKVZRUGMLUQBLD-KRWDZBQOSA-N 1 2 401.555 2.795 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CCCc4occc43)C2)CC1 ZINC000804907076 1078730405 /nfs/dbraw/zinc/73/04/05/1078730405.db2.gz WBEIFPZEQHPOLI-FUHWJXTLSA-N 1 2 418.538 2.994 20 0 HFADLO CCCCOCCCNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804941568 1078767579 /nfs/dbraw/zinc/76/75/79/1078767579.db2.gz WPPXVYSMEUPMHJ-GOSISDBHSA-N 1 2 412.575 2.530 20 0 HFADLO CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001130020860 1078777049 /nfs/dbraw/zinc/77/70/49/1078777049.db2.gz AMDAGMVPVDKYJR-GOSISDBHSA-N 1 2 405.539 2.697 20 0 HFADLO CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001130020860 1078777054 /nfs/dbraw/zinc/77/70/54/1078777054.db2.gz AMDAGMVPVDKYJR-GOSISDBHSA-N 1 2 405.539 2.697 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1C ZINC000805030260 1078843381 /nfs/dbraw/zinc/84/33/81/1078843381.db2.gz WTUQTCLVODCWGY-CQSZACIVSA-N 1 2 416.444 2.840 20 0 HFADLO CC(=O)OCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805056068 1078869801 /nfs/dbraw/zinc/86/98/01/1078869801.db2.gz LYMBYLNFQASBQM-MSOLQXFVSA-N 1 2 420.934 2.876 20 0 HFADLO CC(=O)OCCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805056068 1078869805 /nfs/dbraw/zinc/86/98/05/1078869805.db2.gz LYMBYLNFQASBQM-MSOLQXFVSA-N 1 2 420.934 2.876 20 0 HFADLO C[C@H](NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000805136865 1078933113 /nfs/dbraw/zinc/93/31/13/1078933113.db2.gz KMHYEWZTSBLMNH-NPPFBWRTSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000805153451 1078948416 /nfs/dbraw/zinc/94/84/16/1078948416.db2.gz AZVIPMZWEIERHA-AKHDSKFASA-N 1 2 424.586 2.575 20 0 HFADLO COC(C)(C)C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805153382 1078948430 /nfs/dbraw/zinc/94/84/30/1078948430.db2.gz MZVKIAQRAXFIKX-DLBZAZTESA-N 1 2 412.575 2.527 20 0 HFADLO CCSCC[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805163213 1078955071 /nfs/dbraw/zinc/95/50/71/1078955071.db2.gz DVASDQKSWPVOHP-IRXDYDNUSA-N 1 2 414.616 2.855 20 0 HFADLO C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC000805277726 1079005896 /nfs/dbraw/zinc/00/58/96/1079005896.db2.gz HJZSEILKGUOXKD-QRVBRYPASA-N 1 2 424.586 2.528 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000805474815 1079091832 /nfs/dbraw/zinc/09/18/32/1079091832.db2.gz SOGGXKMXOBOMMK-PZJWPPBQSA-N 1 2 416.905 2.810 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000805474815 1079091836 /nfs/dbraw/zinc/09/18/36/1079091836.db2.gz SOGGXKMXOBOMMK-PZJWPPBQSA-N 1 2 416.905 2.810 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000805469712 1079089134 /nfs/dbraw/zinc/08/91/34/1079089134.db2.gz OVTSDVSFPBSPIJ-DLBZAZTESA-N 1 2 415.317 2.921 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000805469712 1079089140 /nfs/dbraw/zinc/08/91/40/1079089140.db2.gz OVTSDVSFPBSPIJ-DLBZAZTESA-N 1 2 415.317 2.921 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000805470693 1079089409 /nfs/dbraw/zinc/08/94/09/1079089409.db2.gz SWECFKIAGQZHSP-IRLDBZIGSA-N 1 2 414.477 2.637 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000805470693 1079089412 /nfs/dbraw/zinc/08/94/12/1079089412.db2.gz SWECFKIAGQZHSP-IRLDBZIGSA-N 1 2 414.477 2.637 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC=CO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805515727 1079114967 /nfs/dbraw/zinc/11/49/67/1079114967.db2.gz LOTNNPANZKWJGM-JCGIZDLHSA-N 1 2 409.889 2.540 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC=CO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805515727 1079114972 /nfs/dbraw/zinc/11/49/72/1079114972.db2.gz LOTNNPANZKWJGM-JCGIZDLHSA-N 1 2 409.889 2.540 20 0 HFADLO O=S(=O)(/C=C\c1ccc(F)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000747256228 1079193785 /nfs/dbraw/zinc/19/37/85/1079193785.db2.gz IVMHYDJZGOUUGJ-MLPAPPSSSA-N 1 2 410.433 2.713 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000805776597 1079248402 /nfs/dbraw/zinc/24/84/02/1079248402.db2.gz RRKOMLZUJQECIA-LJQANCHMSA-N 1 2 416.522 2.508 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000805776597 1079248407 /nfs/dbraw/zinc/24/84/07/1079248407.db2.gz RRKOMLZUJQECIA-LJQANCHMSA-N 1 2 416.522 2.508 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000805775157 1079248411 /nfs/dbraw/zinc/24/84/11/1079248411.db2.gz YKILIAMZANPBLO-INIZCTEOSA-N 1 2 416.522 2.741 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000805775157 1079248416 /nfs/dbraw/zinc/24/84/16/1079248416.db2.gz YKILIAMZANPBLO-INIZCTEOSA-N 1 2 416.522 2.741 20 0 HFADLO C[C@H]1CC[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805789092 1079255855 /nfs/dbraw/zinc/25/58/55/1079255855.db2.gz YKQAPDMWOIRRFM-NUXNZHGMSA-N 1 2 413.440 2.685 20 0 HFADLO C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc3[nH]ccc32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805789092 1079255863 /nfs/dbraw/zinc/25/58/63/1079255863.db2.gz YKQAPDMWOIRRFM-NUXNZHGMSA-N 1 2 413.440 2.685 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000805763877 1079265508 /nfs/dbraw/zinc/26/55/08/1079265508.db2.gz YAGCLSKOLDISCD-QGZVFWFLSA-N 1 2 400.516 2.932 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000805763877 1079265513 /nfs/dbraw/zinc/26/55/13/1079265513.db2.gz YAGCLSKOLDISCD-QGZVFWFLSA-N 1 2 400.516 2.932 20 0 HFADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805798582 1079279972 /nfs/dbraw/zinc/27/99/72/1079279972.db2.gz AIECWDSPNSBVEW-BBRMVZONSA-N 1 2 411.930 2.952 20 0 HFADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805798582 1079279975 /nfs/dbraw/zinc/27/99/75/1079279975.db2.gz AIECWDSPNSBVEW-BBRMVZONSA-N 1 2 411.930 2.952 20 0 HFADLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(C)c1 ZINC000805803867 1079281735 /nfs/dbraw/zinc/28/17/35/1079281735.db2.gz JAQAAQGCJNQWGJ-RDJZCZTQSA-N 1 2 404.511 2.939 20 0 HFADLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(C)c1 ZINC000805803867 1079281740 /nfs/dbraw/zinc/28/17/40/1079281740.db2.gz JAQAAQGCJNQWGJ-RDJZCZTQSA-N 1 2 404.511 2.939 20 0 HFADLO O=C(NCCc1ccc2c(c1)OC(F)(F)O2)c1ccccc1C[NH+]1CCOCC1 ZINC001130385707 1079287798 /nfs/dbraw/zinc/28/77/98/1079287798.db2.gz LFGWTEUOCMOSLK-UHFFFAOYSA-N 1 2 404.413 2.813 20 0 HFADLO COC(=O)Nc1cccc(CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000805814695 1079287819 /nfs/dbraw/zinc/28/78/19/1079287819.db2.gz DVCYHLPAKHEXHN-UHFFFAOYSA-N 1 2 412.490 2.771 20 0 HFADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000805827052 1079297749 /nfs/dbraw/zinc/29/77/49/1079297749.db2.gz FDMKGFJQVLVMCN-LBPRGKRZSA-N 1 2 413.400 2.731 20 0 HFADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000805827052 1079297751 /nfs/dbraw/zinc/29/77/51/1079297751.db2.gz FDMKGFJQVLVMCN-LBPRGKRZSA-N 1 2 413.400 2.731 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1F ZINC000747283106 1079353985 /nfs/dbraw/zinc/35/39/85/1079353985.db2.gz ZMFYEEIDJYMAPV-SFHVURJKSA-N 1 2 417.462 2.608 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1F ZINC000747283104 1079354012 /nfs/dbraw/zinc/35/40/12/1079354012.db2.gz ZMFYEEIDJYMAPV-GOSISDBHSA-N 1 2 417.462 2.608 20 0 HFADLO COc1cccc(CCC(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000806056528 1079400856 /nfs/dbraw/zinc/40/08/56/1079400856.db2.gz XYUVWPFMUXJXHC-UHFFFAOYSA-N 1 2 412.486 2.642 20 0 HFADLO CN(C)c1ccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000806089558 1079420556 /nfs/dbraw/zinc/42/05/56/1079420556.db2.gz XGEINZCKGXPMPK-LJQANCHMSA-N 1 2 417.554 2.912 20 0 HFADLO C[N@@H+]1CCN(C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)[C@H](Cc2ccccc2)C1 ZINC001130554642 1079496244 /nfs/dbraw/zinc/49/62/44/1079496244.db2.gz WXRAINGNMPHJBH-LJQANCHMSA-N 1 2 411.456 2.880 20 0 HFADLO C[N@H+]1CCN(C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)[C@H](Cc2ccccc2)C1 ZINC001130554642 1079496246 /nfs/dbraw/zinc/49/62/46/1079496246.db2.gz WXRAINGNMPHJBH-LJQANCHMSA-N 1 2 411.456 2.880 20 0 HFADLO Cc1ccc(CNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c(C)c1 ZINC000787299987 1076747838 /nfs/dbraw/zinc/74/78/38/1076747838.db2.gz XGTBWCGHUYAGTQ-UHFFFAOYSA-N 1 2 408.546 2.771 20 0 HFADLO C[C@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)o1 ZINC000787322854 1076764747 /nfs/dbraw/zinc/76/47/47/1076764747.db2.gz BCEKDSUMJBZPQO-KKSFZXQISA-N 1 2 424.545 2.870 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000787354644 1076794396 /nfs/dbraw/zinc/79/43/96/1076794396.db2.gz NFPALWRCIRNICE-OAHLLOKOSA-N 1 2 418.563 2.944 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000787354644 1076794403 /nfs/dbraw/zinc/79/44/03/1076794403.db2.gz NFPALWRCIRNICE-OAHLLOKOSA-N 1 2 418.563 2.944 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NCc3ccn4cc[nH+]c4c3)[nH]n2)C1 ZINC000787437946 1076810936 /nfs/dbraw/zinc/81/09/36/1076810936.db2.gz VAUMMDDFXXIHGL-OAHLLOKOSA-N 1 2 410.478 2.712 20 0 HFADLO Cc1cnc(Cl)c(NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000787891884 1076980855 /nfs/dbraw/zinc/98/08/55/1076980855.db2.gz ZRMALEWHEDCTMQ-UHFFFAOYSA-N 1 2 415.925 2.833 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1C ZINC000787855956 1076982777 /nfs/dbraw/zinc/98/27/77/1076982777.db2.gz PYHHVQHIOYEONB-ZDUSSCGKSA-N 1 2 407.417 2.802 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000787994256 1077021787 /nfs/dbraw/zinc/02/17/87/1077021787.db2.gz DZYLIEAEAFHWET-QFIPXVFZSA-N 1 2 417.506 2.507 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000787994256 1077021791 /nfs/dbraw/zinc/02/17/91/1077021791.db2.gz DZYLIEAEAFHWET-QFIPXVFZSA-N 1 2 417.506 2.507 20 0 HFADLO Cc1cc(C)c(NC(=O)C[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000788002412 1077024838 /nfs/dbraw/zinc/02/48/38/1077024838.db2.gz BZPRFWMLZMYZGJ-UHFFFAOYSA-N 1 2 405.539 2.902 20 0 HFADLO CC(C)(C)OC(=O)NC1(CO)CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC1 ZINC000788002283 1077024917 /nfs/dbraw/zinc/02/49/17/1077024917.db2.gz AKHDEFJVFGULDL-HXUWFJFHSA-N 1 2 417.550 2.606 20 0 HFADLO CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000788003662 1077025110 /nfs/dbraw/zinc/02/51/10/1077025110.db2.gz ORIQBJFGJRKIIU-INIZCTEOSA-N 1 2 405.539 2.928 20 0 HFADLO CC(C)(C)OC(=O)NC1(CO)CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000788004228 1077026184 /nfs/dbraw/zinc/02/61/84/1077026184.db2.gz NGZNXMIWGNZZNN-KRWDZBQOSA-N 1 2 423.941 2.797 20 0 HFADLO Cc1cccnc1OC1CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000788004121 1077026195 /nfs/dbraw/zinc/02/61/95/1077026195.db2.gz LGALPTBQENSDLV-UHFFFAOYSA-N 1 2 410.518 2.709 20 0 HFADLO Cc1cccn2cc(CCNC(=O)Nc3ccc(N4C(=O)CCC4=O)c(C)c3)[nH+]c12 ZINC000746723716 1077031133 /nfs/dbraw/zinc/03/11/33/1077031133.db2.gz AODKWMLDNZGRTK-UHFFFAOYSA-N 1 2 405.458 2.969 20 0 HFADLO O=C(CC1CCC2(CC1)OCCO2)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000788083478 1077054483 /nfs/dbraw/zinc/05/44/83/1077054483.db2.gz CHLJXQPZVPMDDD-UHFFFAOYSA-N 1 2 415.534 2.529 20 0 HFADLO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1N1CCOC1=O ZINC000746730531 1077069371 /nfs/dbraw/zinc/06/93/71/1077069371.db2.gz QNJCTZMZUUONTA-FQEVSTJZSA-N 1 2 424.501 2.974 20 0 HFADLO Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1N1CCOC1=O ZINC000746730531 1077069373 /nfs/dbraw/zinc/06/93/73/1077069373.db2.gz QNJCTZMZUUONTA-FQEVSTJZSA-N 1 2 424.501 2.974 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000788154904 1077070235 /nfs/dbraw/zinc/07/02/35/1077070235.db2.gz PTVIJLAYBYGKDW-LLVKDONJSA-N 1 2 410.908 2.622 20 0 HFADLO COCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(Cl)cc(C(N)=O)c3)c2C1 ZINC000788220261 1077082142 /nfs/dbraw/zinc/08/21/42/1077082142.db2.gz NWCULTGMCZZJIM-UHFFFAOYSA-N 1 2 423.922 2.592 20 0 HFADLO COCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(Cl)cc(C(N)=O)c3)c2C1 ZINC000788220261 1077082147 /nfs/dbraw/zinc/08/21/47/1077082147.db2.gz NWCULTGMCZZJIM-UHFFFAOYSA-N 1 2 423.922 2.592 20 0 HFADLO CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CC1 ZINC000788247427 1077086282 /nfs/dbraw/zinc/08/62/82/1077086282.db2.gz URKCSMWUQTXFTB-KRWDZBQOSA-N 1 2 401.555 2.825 20 0 HFADLO CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CC1 ZINC000788247427 1077086287 /nfs/dbraw/zinc/08/62/87/1077086287.db2.gz URKCSMWUQTXFTB-KRWDZBQOSA-N 1 2 401.555 2.825 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCSC(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000788555630 1077200024 /nfs/dbraw/zinc/20/00/24/1077200024.db2.gz BZDIRKWCLDJDCC-STQMWFEESA-N 1 2 409.861 2.571 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCSC(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000788555630 1077200026 /nfs/dbraw/zinc/20/00/26/1077200026.db2.gz BZDIRKWCLDJDCC-STQMWFEESA-N 1 2 409.861 2.571 20 0 HFADLO COc1ccc(CCS(=O)(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000788590465 1077215271 /nfs/dbraw/zinc/21/52/71/1077215271.db2.gz ZFQWUKFGXOWHOV-UHFFFAOYSA-N 1 2 406.523 2.915 20 0 HFADLO COc1ccc(CCS(=O)(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000788590465 1077215274 /nfs/dbraw/zinc/21/52/74/1077215274.db2.gz ZFQWUKFGXOWHOV-UHFFFAOYSA-N 1 2 406.523 2.915 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1Cl ZINC000788650531 1077226102 /nfs/dbraw/zinc/22/61/02/1077226102.db2.gz TVKYBGORZDBSKB-PWSUYJOCSA-N 1 2 417.940 2.965 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000788656592 1077255075 /nfs/dbraw/zinc/25/50/75/1077255075.db2.gz SFIQBSRBXBYWPF-PMACEKPBSA-N 1 2 419.485 2.639 20 0 HFADLO C[NH+](C)[C@@H](CNC(=O)NCCS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000746758274 1077263577 /nfs/dbraw/zinc/26/35/77/1077263577.db2.gz VFFGSPVEWOQZII-IBGZPJMESA-N 1 2 423.966 2.857 20 0 HFADLO Cc1cccn2cc(CCNC(=O)NC[C@@H]3CCCN3C(=O)OC(C)(C)C)[nH+]c12 ZINC000746759067 1077270344 /nfs/dbraw/zinc/27/03/44/1077270344.db2.gz DCUJKWCFEODZPZ-KRWDZBQOSA-N 1 2 401.511 2.884 20 0 HFADLO O=C(c1ccccc1S(=O)(=O)C(F)(F)F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000791028647 1077275271 /nfs/dbraw/zinc/27/52/71/1077275271.db2.gz XZFWULZWPKFVCU-CYBMUJFWSA-N 1 2 400.378 2.669 20 0 HFADLO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000788772445 1077277181 /nfs/dbraw/zinc/27/71/81/1077277181.db2.gz UEXJAFJEGKTPFQ-GHTZIAJQSA-N 1 2 408.498 2.873 20 0 HFADLO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000788772445 1077277189 /nfs/dbraw/zinc/27/71/89/1077277189.db2.gz UEXJAFJEGKTPFQ-GHTZIAJQSA-N 1 2 408.498 2.873 20 0 HFADLO C[C@H](C(=O)O[C@@H]1CCN(C2CCOCC2)C1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000746983746 1077309812 /nfs/dbraw/zinc/30/98/12/1077309812.db2.gz RNCMCWUITRNJRR-XMSQKQJNSA-N 1 2 414.546 2.653 20 0 HFADLO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC000788832794 1077314456 /nfs/dbraw/zinc/31/44/56/1077314456.db2.gz QBXQOVGNSJVLOT-MRXNPFEDSA-N 1 2 421.494 2.591 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccn(-c4ccccc4Cl)n3)cc2C1 ZINC000788837254 1077315590 /nfs/dbraw/zinc/31/55/90/1077315590.db2.gz WNQSEIXOBXMJES-UHFFFAOYSA-N 1 2 409.877 2.621 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccn(-c4ccccc4Cl)n3)cc2C1 ZINC000788837254 1077315596 /nfs/dbraw/zinc/31/55/96/1077315596.db2.gz WNQSEIXOBXMJES-UHFFFAOYSA-N 1 2 409.877 2.621 20 0 HFADLO CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000788837209 1077315808 /nfs/dbraw/zinc/31/58/08/1077315808.db2.gz VIKDDACVPLMUTE-UHFFFAOYSA-N 1 2 418.538 2.552 20 0 HFADLO CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000788837209 1077315812 /nfs/dbraw/zinc/31/58/12/1077315812.db2.gz VIKDDACVPLMUTE-UHFFFAOYSA-N 1 2 418.538 2.552 20 0 HFADLO CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000788852213 1077320252 /nfs/dbraw/zinc/32/02/52/1077320252.db2.gz FNYUVXXDYLCFNN-UHFFFAOYSA-N 1 2 422.451 2.946 20 0 HFADLO CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)c3c(F)cc(O)cc3F)cc2)CC1 ZINC000746985320 1077320631 /nfs/dbraw/zinc/32/06/31/1077320631.db2.gz HEUXZBDBLJNAIQ-UHFFFAOYSA-N 1 2 419.428 2.608 20 0 HFADLO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2c(F)cc(O)cc2F)CC1 ZINC000746984323 1077331365 /nfs/dbraw/zinc/33/13/65/1077331365.db2.gz FIMUWEVTODLGCD-AWEZNQCLSA-N 1 2 404.413 2.733 20 0 HFADLO Cc1ccc(N2CCC[C@@H](NC(=O)NCCc3cn4cccc(C)c4[nH+]3)C2=O)cc1 ZINC000746772071 1077337183 /nfs/dbraw/zinc/33/71/83/1077337183.db2.gz OVGKDJYUHMOPJL-HXUWFJFHSA-N 1 2 405.502 2.988 20 0 HFADLO O=C(CSc1nnnn1C1CC1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791274312 1077356198 /nfs/dbraw/zinc/35/61/98/1077356198.db2.gz QNDGHNBYZFWGQV-ZDUSSCGKSA-N 1 2 401.540 2.545 20 0 HFADLO O=C(CSc1nnnn1C1CC1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791274312 1077356203 /nfs/dbraw/zinc/35/62/03/1077356203.db2.gz QNDGHNBYZFWGQV-ZDUSSCGKSA-N 1 2 401.540 2.545 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000788951897 1077360570 /nfs/dbraw/zinc/36/05/70/1077360570.db2.gz SGGZMNALLGGNLQ-KRWDZBQOSA-N 1 2 412.575 2.576 20 0 HFADLO CN(CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(=O)OC(C)(C)C ZINC000788969695 1077366259 /nfs/dbraw/zinc/36/62/59/1077366259.db2.gz BVYHLSCVXAJGGP-UHFFFAOYSA-N 1 2 405.543 2.975 20 0 HFADLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(Br)n[nH]3)CCCC2)no1 ZINC000791332985 1077376854 /nfs/dbraw/zinc/37/68/54/1077376854.db2.gz IJCQBLFBMKWOLR-UHFFFAOYSA-N 1 2 411.304 2.596 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1nc(S(C)(=O)=O)n2ccccc12 ZINC000791347660 1077382410 /nfs/dbraw/zinc/38/24/10/1077382410.db2.gz JSNLBAUZNDPMTM-UHFFFAOYSA-N 1 2 410.455 2.589 20 0 HFADLO COc1ccccc1C[NH+]1CCN(C(=O)Cc2cccnc2Br)CC1 ZINC000791349502 1077390402 /nfs/dbraw/zinc/39/04/02/1077390402.db2.gz SFYYUHDWVVQQIV-UHFFFAOYSA-N 1 2 404.308 2.740 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000791393820 1077397973 /nfs/dbraw/zinc/39/79/73/1077397973.db2.gz WWYNMXZBKWHOOL-LJQANCHMSA-N 1 2 403.438 2.743 20 0 HFADLO O=C(NC1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000791443451 1077409248 /nfs/dbraw/zinc/40/92/48/1077409248.db2.gz YWXOJXXFIPVTQE-UHFFFAOYSA-N 1 2 404.507 2.635 20 0 HFADLO CCNS(=O)(=O)c1ccc(CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000791451033 1077411113 /nfs/dbraw/zinc/41/11/13/1077411113.db2.gz RGEGNZMSUDPPLK-UHFFFAOYSA-N 1 2 413.499 2.765 20 0 HFADLO O=C(COC(=O)[C@H]1CCCc2c(O)cccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000789247804 1077471576 /nfs/dbraw/zinc/47/15/76/1077471576.db2.gz HWQSCBFXPDCFNT-IBGZPJMESA-N 1 2 414.527 2.761 20 0 HFADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)NC(=O)N[C@H]1c1ccco1 ZINC000791582743 1077471719 /nfs/dbraw/zinc/47/17/19/1077471719.db2.gz COSJVJSEVOVVES-PGUXBMHVSA-N 1 2 401.385 2.723 20 0 HFADLO CCOC(=O)C1=C(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)NC(=O)N[C@H]1c1ccco1 ZINC000791582743 1077471720 /nfs/dbraw/zinc/47/17/20/1077471720.db2.gz COSJVJSEVOVVES-PGUXBMHVSA-N 1 2 401.385 2.723 20 0 HFADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001170101815 1077516091 /nfs/dbraw/zinc/51/60/91/1077516091.db2.gz MEYLPNXGQFVVAK-SFHVURJKSA-N 1 2 412.925 2.722 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)C1=O ZINC000789427390 1077557609 /nfs/dbraw/zinc/55/76/09/1077557609.db2.gz YKGYVJSTWHIAFF-QHCPKHFHSA-N 1 2 418.582 2.805 20 0 HFADLO C[C@@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)NC(=O)OC(C)(C)C ZINC000791819633 1077567467 /nfs/dbraw/zinc/56/74/67/1077567467.db2.gz ZQMNFMBSLQDMTB-HNNXBMFYSA-N 1 2 403.483 2.997 20 0 HFADLO CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N(C[N@@H+]1CC[C@]3(C)[C@H](C1)C3(Cl)Cl)C2 ZINC000789476810 1077569153 /nfs/dbraw/zinc/56/91/53/1077569153.db2.gz FNHBDOMEOFVBLE-SUMWQHHRSA-N 1 2 418.365 2.929 20 0 HFADLO CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N(C[N@H+]1CC[C@]3(C)[C@H](C1)C3(Cl)Cl)C2 ZINC000789476810 1077569158 /nfs/dbraw/zinc/56/91/58/1077569158.db2.gz FNHBDOMEOFVBLE-SUMWQHHRSA-N 1 2 418.365 2.929 20 0 HFADLO CC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3[nH+]cc(C)c(OC)c3C)sc2C1 ZINC000789432962 1077569865 /nfs/dbraw/zinc/56/98/65/1077569865.db2.gz NGOHZMJTCZHUDY-CYBMUJFWSA-N 1 2 402.520 2.933 20 0 HFADLO COc1cc(I)c(C(=O)OCc2cc[nH+]c(N)c2)cc1OC ZINC000791828004 1077576314 /nfs/dbraw/zinc/57/63/14/1077576314.db2.gz XZDFDZZQSRIUJD-UHFFFAOYSA-N 1 2 414.199 2.643 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(N3CCCCC3=O)CC2)C1=O ZINC000789445265 1077577643 /nfs/dbraw/zinc/57/76/43/1077577643.db2.gz SNKQWOSLDGKLAG-JOCHJYFZSA-N 1 2 404.555 2.558 20 0 HFADLO CC(C)Cn1c(=S)n(C[NH+]2CCC3(CCOCC3)CC2)nc1N1CCOCC1 ZINC000789531827 1077626775 /nfs/dbraw/zinc/62/67/75/1077626775.db2.gz VUUOCQYHCZPQPF-UHFFFAOYSA-N 1 2 409.600 2.757 20 0 HFADLO CCc1cc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)c2c(CC(C)(C)C)noc2n1 ZINC001170110834 1077628831 /nfs/dbraw/zinc/62/88/31/1077628831.db2.gz AARSZJJZLRTLPQ-GOSISDBHSA-N 1 2 410.522 2.894 20 0 HFADLO CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000789546053 1077637822 /nfs/dbraw/zinc/63/78/22/1077637822.db2.gz NSACRXWRBVFPHA-UHFFFAOYSA-N 1 2 413.499 2.592 20 0 HFADLO CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000789546053 1077637827 /nfs/dbraw/zinc/63/78/27/1077637827.db2.gz NSACRXWRBVFPHA-UHFFFAOYSA-N 1 2 413.499 2.592 20 0 HFADLO Cc1nc(Cl)ccc1NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000789546442 1077638840 /nfs/dbraw/zinc/63/88/40/1077638840.db2.gz CMXJXNFFWSHWMR-UHFFFAOYSA-N 1 2 415.925 2.833 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)NCCCCn2cc(Br)cn2)c1C ZINC000792057170 1077664097 /nfs/dbraw/zinc/66/40/97/1077664097.db2.gz MZKALLKEVJCOFJ-UHFFFAOYSA-N 1 2 410.316 2.946 20 0 HFADLO Nc1cc(COC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc[nH+]1 ZINC000792037171 1077687872 /nfs/dbraw/zinc/68/78/72/1077687872.db2.gz ZZCWIMKROXKGEO-UHFFFAOYSA-N 1 2 422.470 2.794 20 0 HFADLO Nc1cc(COC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc[nH+]1 ZINC000792036944 1077687926 /nfs/dbraw/zinc/68/79/26/1077687926.db2.gz UXJWQLDSVRJTPH-UHFFFAOYSA-N 1 2 411.443 2.992 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)[nH+]1 ZINC000789600225 1077703911 /nfs/dbraw/zinc/70/39/11/1077703911.db2.gz NNIULWYVATYTSX-UHFFFAOYSA-N 1 2 418.885 2.952 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cccc(COc3ccccc3)c2)[nH+]1 ZINC000789599576 1077704279 /nfs/dbraw/zinc/70/42/79/1077704279.db2.gz QLPITZAZPMEUMI-UHFFFAOYSA-N 1 2 412.837 2.572 20 0 HFADLO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792232547 1077756109 /nfs/dbraw/zinc/75/61/09/1077756109.db2.gz YZAMSMLWSRSCRK-HKUYNNGSSA-N 1 2 400.519 2.646 20 0 HFADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NS(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000789759814 1077765408 /nfs/dbraw/zinc/76/54/08/1077765408.db2.gz SAUDAAILVVVIKD-OAQYLSRUSA-N 1 2 411.527 2.865 20 0 HFADLO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NS(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000789759814 1077765415 /nfs/dbraw/zinc/76/54/15/1077765415.db2.gz SAUDAAILVVVIKD-OAQYLSRUSA-N 1 2 411.527 2.865 20 0 HFADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789767422 1077768471 /nfs/dbraw/zinc/76/84/71/1077768471.db2.gz BQNNOGPKTXCJFL-FQEVSTJZSA-N 1 2 401.898 2.823 20 0 HFADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789767422 1077768477 /nfs/dbraw/zinc/76/84/77/1077768477.db2.gz BQNNOGPKTXCJFL-FQEVSTJZSA-N 1 2 401.898 2.823 20 0 HFADLO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000746853060 1077786686 /nfs/dbraw/zinc/78/66/86/1077786686.db2.gz SBXDLVFZJOLGTF-QUCCMNQESA-N 1 2 419.566 2.549 20 0 HFADLO O=C(c1nc(Br)cs1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000792267494 1077787373 /nfs/dbraw/zinc/78/73/73/1077787373.db2.gz HAPBJSBLYASSCH-UHFFFAOYSA-N 1 2 416.263 2.632 20 0 HFADLO CCN(CC)C(=O)C1CC[NH+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 ZINC000746859060 1077793588 /nfs/dbraw/zinc/79/35/88/1077793588.db2.gz JUVRBBNGKVAION-UHFFFAOYSA-N 1 2 423.558 2.910 20 0 HFADLO Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c(N(C)C)[nH+]1 ZINC000789795359 1077801214 /nfs/dbraw/zinc/80/12/14/1077801214.db2.gz BPOLSJWFDDPUCB-UHFFFAOYSA-N 1 2 412.465 2.655 20 0 HFADLO C[N@@H+]1CCN(C(=O)NCc2ccc3ncccc3c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000792321859 1077805984 /nfs/dbraw/zinc/80/59/84/1077805984.db2.gz GKZWJQYSIQNLIS-SFHVURJKSA-N 1 2 413.522 2.585 20 0 HFADLO C[N@H+]1CCN(C(=O)NCc2ccc3ncccc3c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000792321859 1077805992 /nfs/dbraw/zinc/80/59/92/1077805992.db2.gz GKZWJQYSIQNLIS-SFHVURJKSA-N 1 2 413.522 2.585 20 0 HFADLO CCn1cc([C@H](O)C[N@H+](Cc2nc3ccc(OC)nc3[nH]2)Cc2ccccc2)cn1 ZINC000792377469 1077843692 /nfs/dbraw/zinc/84/36/92/1077843692.db2.gz UJSXZVRMVHIATK-LJQANCHMSA-N 1 2 406.490 2.919 20 0 HFADLO CCn1cc([C@H](O)C[N@@H+](Cc2nc3ccc(OC)nc3[nH]2)Cc2ccccc2)cn1 ZINC000792377469 1077843699 /nfs/dbraw/zinc/84/36/99/1077843699.db2.gz UJSXZVRMVHIATK-LJQANCHMSA-N 1 2 406.490 2.919 20 0 HFADLO CC(C)NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792384668 1077848357 /nfs/dbraw/zinc/84/83/57/1077848357.db2.gz IJQQIAGFICNABF-UHFFFAOYSA-N 1 2 414.481 2.841 20 0 HFADLO COCC[N@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@@H]1CC[C@@H](C)C1 ZINC000792465148 1077859198 /nfs/dbraw/zinc/85/91/98/1077859198.db2.gz KHZJFUUPGTXSEU-ZIAGYGMSSA-N 1 2 404.479 2.758 20 0 HFADLO COCC[N@@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@@H]1CC[C@@H](C)C1 ZINC000792465148 1077859204 /nfs/dbraw/zinc/85/92/04/1077859204.db2.gz KHZJFUUPGTXSEU-ZIAGYGMSSA-N 1 2 404.479 2.758 20 0 HFADLO C[C@@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)N1CCc2ccccc21 ZINC000746865076 1077867397 /nfs/dbraw/zinc/86/73/97/1077867397.db2.gz YEDWSIYJROVRLG-SFHVURJKSA-N 1 2 406.530 2.657 20 0 HFADLO CN(C[C@H]1CCC[N@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1)S(C)(=O)=O ZINC001170184213 1077903365 /nfs/dbraw/zinc/90/33/65/1077903365.db2.gz MOYMDJPPQFOYCZ-MRXNPFEDSA-N 1 2 414.531 2.993 20 0 HFADLO CN(C[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1)S(C)(=O)=O ZINC001170184213 1077903367 /nfs/dbraw/zinc/90/33/67/1077903367.db2.gz MOYMDJPPQFOYCZ-MRXNPFEDSA-N 1 2 414.531 2.993 20 0 HFADLO CC[C@@H]1C[C@@H]([N@@H+]2Cc3ncnn3C3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001170207882 1077906766 /nfs/dbraw/zinc/90/67/66/1077906766.db2.gz NIVMTCSTUQDKBE-DLBZAZTESA-N 1 2 405.543 2.778 20 0 HFADLO CC[C@@H]1C[C@@H]([N@H+]2Cc3ncnn3C3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001170207882 1077906768 /nfs/dbraw/zinc/90/67/68/1077906768.db2.gz NIVMTCSTUQDKBE-DLBZAZTESA-N 1 2 405.543 2.778 20 0 HFADLO CC[C@H]1C[C@@H]([N@@H+]2Cc3ncnn3C3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001170207884 1077906978 /nfs/dbraw/zinc/90/69/78/1077906978.db2.gz NIVMTCSTUQDKBE-IRXDYDNUSA-N 1 2 405.543 2.778 20 0 HFADLO CC[C@H]1C[C@@H]([N@H+]2Cc3ncnn3C3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001170207884 1077906982 /nfs/dbraw/zinc/90/69/82/1077906982.db2.gz NIVMTCSTUQDKBE-IRXDYDNUSA-N 1 2 405.543 2.778 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1CCOCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001170264498 1077921109 /nfs/dbraw/zinc/92/11/09/1077921109.db2.gz OVFWFOJIEMWKDC-HOTGVXAUSA-N 1 2 419.538 2.807 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1CCOCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001170264498 1077921113 /nfs/dbraw/zinc/92/11/13/1077921113.db2.gz OVFWFOJIEMWKDC-HOTGVXAUSA-N 1 2 419.538 2.807 20 0 HFADLO CCCCc1nnc(NC(=O)C[N@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)s1 ZINC001170291185 1077939169 /nfs/dbraw/zinc/93/91/69/1077939169.db2.gz SKYSQJPAJRCXBI-OAHLLOKOSA-N 1 2 417.535 2.520 20 0 HFADLO CCCCc1nnc(NC(=O)C[N@@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)s1 ZINC001170291185 1077939171 /nfs/dbraw/zinc/93/91/71/1077939171.db2.gz SKYSQJPAJRCXBI-OAHLLOKOSA-N 1 2 417.535 2.520 20 0 HFADLO NC(=O)CC[N@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCOc2ccccc21 ZINC001170291067 1077939210 /nfs/dbraw/zinc/93/92/10/1077939210.db2.gz RELIQACCXVVGPB-QGZVFWFLSA-N 1 2 424.469 2.884 20 0 HFADLO NC(=O)CC[N@@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCOc2ccccc21 ZINC001170291067 1077939212 /nfs/dbraw/zinc/93/92/12/1077939212.db2.gz RELIQACCXVVGPB-QGZVFWFLSA-N 1 2 424.469 2.884 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000790130648 1077952023 /nfs/dbraw/zinc/95/20/23/1077952023.db2.gz BQYNIBDKHUNLNR-CVDCTZTESA-N 1 2 412.530 2.868 20 0 HFADLO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790132631 1077952712 /nfs/dbraw/zinc/95/27/12/1077952712.db2.gz PQUATYPIMPJVQU-AZUAARDMSA-N 1 2 405.539 2.507 20 0 HFADLO C[C@H](CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000790136393 1077953859 /nfs/dbraw/zinc/95/38/59/1077953859.db2.gz QTKHDXMGYPXHAM-CEXWTWQISA-N 1 2 411.587 2.839 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000790137829 1077954094 /nfs/dbraw/zinc/95/40/94/1077954094.db2.gz WYYJKRKQXIVSEZ-FXAWDEMLSA-N 1 2 417.550 2.700 20 0 HFADLO Cc1[nH]c(-c2cccc(NC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)c2)[nH+]c1C ZINC000746884365 1077957288 /nfs/dbraw/zinc/95/72/88/1077957288.db2.gz PUOJARMEEOQOBG-IBGZPJMESA-N 1 2 420.448 2.891 20 0 HFADLO O=C(C=CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc2n[nH]cc2c1 ZINC000790159759 1077961960 /nfs/dbraw/zinc/96/19/60/1077961960.db2.gz KDTMBSIYMWELNP-SREVYHEPSA-N 1 2 418.501 2.997 20 0 HFADLO C[C@@H]1CSCC[N@H+](Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)C1 ZINC000792718648 1077973880 /nfs/dbraw/zinc/97/38/80/1077973880.db2.gz CHCXRGDJHKKIOL-KRWDZBQOSA-N 1 2 419.620 2.941 20 0 HFADLO C[C@@H]1CSCC[N@@H+](Cn2nc(N3CCOCC3)n(Cc3ccccc3)c2=S)C1 ZINC000792718648 1077973882 /nfs/dbraw/zinc/97/38/82/1077973882.db2.gz CHCXRGDJHKKIOL-KRWDZBQOSA-N 1 2 419.620 2.941 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790253589 1077977766 /nfs/dbraw/zinc/97/77/66/1077977766.db2.gz IZRBCIFCIBGKOM-FQEVSTJZSA-N 1 2 407.449 2.612 20 0 HFADLO C[C@@H]1CSCC[N@H+](Cn2nc(N3CCOCC3)n(-c3ccccc3)c2=S)C1 ZINC000792725959 1077978539 /nfs/dbraw/zinc/97/85/39/1077978539.db2.gz MSOGUTGOZXRBRS-INIZCTEOSA-N 1 2 405.593 2.882 20 0 HFADLO C[C@@H]1CSCC[N@@H+](Cn2nc(N3CCOCC3)n(-c3ccccc3)c2=S)C1 ZINC000792725959 1077978540 /nfs/dbraw/zinc/97/85/40/1077978540.db2.gz MSOGUTGOZXRBRS-INIZCTEOSA-N 1 2 405.593 2.882 20 0 HFADLO O=C1[C@H]([N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)CCCN1Cc1ccccc1 ZINC000790288016 1077985981 /nfs/dbraw/zinc/98/59/81/1077985981.db2.gz XRSLQQGXIJRKFT-XMMPIXPASA-N 1 2 418.541 2.917 20 0 HFADLO O=C1[C@H]([N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)CCCN1Cc1ccccc1 ZINC000790288016 1077985984 /nfs/dbraw/zinc/98/59/84/1077985984.db2.gz XRSLQQGXIJRKFT-XMMPIXPASA-N 1 2 418.541 2.917 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000790336807 1078006413 /nfs/dbraw/zinc/00/64/13/1078006413.db2.gz BIQGGSPPMIUJPO-FQEVSTJZSA-N 1 2 412.527 2.932 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](CCS(=O)(=O)c3ccc(F)cc3)C2)C1 ZINC000790336807 1078006419 /nfs/dbraw/zinc/00/64/19/1078006419.db2.gz BIQGGSPPMIUJPO-FQEVSTJZSA-N 1 2 412.527 2.932 20 0 HFADLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)Nc1ccc(N3C[C@@H](C)O[C@@H](C)C3)cc1)C[C@H](C)O2 ZINC000790385010 1078010664 /nfs/dbraw/zinc/01/06/64/1078010664.db2.gz CZAZCKLNFMQVTE-MSLQOZETSA-N 1 2 417.550 2.507 20 0 HFADLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)Nc1ccc(N3C[C@@H](C)O[C@@H](C)C3)cc1)C[C@H](C)O2 ZINC000790385010 1078010671 /nfs/dbraw/zinc/01/06/71/1078010671.db2.gz CZAZCKLNFMQVTE-MSLQOZETSA-N 1 2 417.550 2.507 20 0 HFADLO C[C@]1(NC(=O)NCCCNc2cccc[nH+]2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792855335 1078015331 /nfs/dbraw/zinc/01/53/31/1078015331.db2.gz QOBDKUKPAUHPDD-QFIPXVFZSA-N 1 2 411.506 2.984 20 0 HFADLO COC(=O)c1cc(OC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc(C(=O)OC)c1 ZINC000792876394 1078015665 /nfs/dbraw/zinc/01/56/65/1078015665.db2.gz OOTGTKWGWBQJCB-UHFFFAOYSA-N 1 2 418.352 2.802 20 0 HFADLO C[C@]12CC[N@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@H]1C2(Cl)Cl ZINC000792903120 1078019919 /nfs/dbraw/zinc/01/99/19/1078019919.db2.gz JLZOEUONRNBLRQ-CJNGLKHVSA-N 1 2 406.260 2.535 20 0 HFADLO C[C@]12CC[N@@H+](CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)C[C@H]1C2(Cl)Cl ZINC000792903120 1078019923 /nfs/dbraw/zinc/01/99/23/1078019923.db2.gz JLZOEUONRNBLRQ-CJNGLKHVSA-N 1 2 406.260 2.535 20 0 HFADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c1 ZINC000790460684 1078027205 /nfs/dbraw/zinc/02/72/05/1078027205.db2.gz SEYPXKPVRWLELI-QGZVFWFLSA-N 1 2 422.934 2.674 20 0 HFADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c1 ZINC000790460684 1078027210 /nfs/dbraw/zinc/02/72/10/1078027210.db2.gz SEYPXKPVRWLELI-QGZVFWFLSA-N 1 2 422.934 2.674 20 0 HFADLO O=C(CCc1c[nH]c[nH+]1)NCCN1C(=O)SC(=Cc2ccc(Cl)cc2)C1=O ZINC000792935476 1078028677 /nfs/dbraw/zinc/02/86/77/1078028677.db2.gz AWOGDJZSKAEECA-DHDCSXOGSA-N 1 2 404.879 2.848 20 0 HFADLO O=C(CCc1c[nH+]c[nH]1)NCCN1C(=O)SC(=Cc2ccc(Cl)cc2)C1=O ZINC000792935476 1078028683 /nfs/dbraw/zinc/02/86/83/1078028683.db2.gz AWOGDJZSKAEECA-DHDCSXOGSA-N 1 2 404.879 2.848 20 0 HFADLO COCCNC(=O)c1ccccc1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000792933833 1078028778 /nfs/dbraw/zinc/02/87/78/1078028778.db2.gz BESBISCYORIPGH-UHFFFAOYSA-N 1 2 402.401 2.638 20 0 HFADLO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790434649 1078029742 /nfs/dbraw/zinc/02/97/42/1078029742.db2.gz RXBCPABORBROKZ-HNHYXYPQSA-N 1 2 407.881 2.606 20 0 HFADLO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790434649 1078029748 /nfs/dbraw/zinc/02/97/48/1078029748.db2.gz RXBCPABORBROKZ-HNHYXYPQSA-N 1 2 407.881 2.606 20 0 HFADLO CNC(=O)OC[C@H]1CCCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000806259853 1079526223 /nfs/dbraw/zinc/52/62/23/1079526223.db2.gz HNBMLXSTMRNYST-VQIMIIECSA-N 1 2 404.511 2.822 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCCCc3ccccc3)CC2)C1 ZINC000806284333 1079547517 /nfs/dbraw/zinc/54/75/17/1079547517.db2.gz CRGUGCONYINTHL-FQEVSTJZSA-N 1 2 416.566 2.956 20 0 HFADLO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000806288601 1079573722 /nfs/dbraw/zinc/57/37/22/1079573722.db2.gz ZCDZGLZRZIBVQM-LJQANCHMSA-N 1 2 402.539 2.832 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000806332243 1079602639 /nfs/dbraw/zinc/60/26/39/1079602639.db2.gz LLOFQFATLIONAF-DARGTVEUSA-N 1 2 405.442 2.641 20 0 HFADLO CCCc1cc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n(C)n1 ZINC000806386008 1079635086 /nfs/dbraw/zinc/63/50/86/1079635086.db2.gz SAZCIYPRTSHUQY-KRWDZBQOSA-N 1 2 420.558 2.532 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000806419043 1079662492 /nfs/dbraw/zinc/66/24/92/1079662492.db2.gz KQXSMAZERKEVBF-ZYHUDNBSSA-N 1 2 403.708 2.824 20 0 HFADLO C[C@@H](Cc1ccco1)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806406227 1079693632 /nfs/dbraw/zinc/69/36/32/1079693632.db2.gz VKWPCKOBYWECGQ-IRXDYDNUSA-N 1 2 406.527 2.547 20 0 HFADLO COCC[N@@H+]1CCN(C(=O)C(F)(F)c2ncccc2Br)C(C)(C)C1 ZINC001130635687 1079725262 /nfs/dbraw/zinc/72/52/62/1079725262.db2.gz MAUYHQVVQLTKHT-UHFFFAOYSA-N 1 2 406.271 2.505 20 0 HFADLO COCC[N@H+]1CCN(C(=O)C(F)(F)c2ncccc2Br)C(C)(C)C1 ZINC001130635687 1079725270 /nfs/dbraw/zinc/72/52/70/1079725270.db2.gz MAUYHQVVQLTKHT-UHFFFAOYSA-N 1 2 406.271 2.505 20 0 HFADLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000806670973 1079905776 /nfs/dbraw/zinc/90/57/76/1079905776.db2.gz KZTTVINUTFFCCH-FCGDIQPGSA-N 1 2 424.586 2.527 20 0 HFADLO CCc1ccc([C@H](O)CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000806789411 1080010635 /nfs/dbraw/zinc/01/06/35/1080010635.db2.gz LUNWGOUJKLSOTF-XZOQPEGZSA-N 1 2 411.546 2.525 20 0 HFADLO CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1nccs1 ZINC000806840582 1080052966 /nfs/dbraw/zinc/05/29/66/1080052966.db2.gz PBDXNRWFZQDSOS-HZPDHXFCSA-N 1 2 423.583 2.931 20 0 HFADLO C[C@H]1C[NH+](Cc2ccc(CNC(=O)CSc3n[nH]c(=S)s3)cc2)C[C@H](C)O1 ZINC000747360215 1080055429 /nfs/dbraw/zinc/05/54/29/1080055429.db2.gz QAJMOTMAJCIHBU-STQMWFEESA-N 1 2 424.617 2.845 20 0 HFADLO COCCC1(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCC1 ZINC000806965701 1080133876 /nfs/dbraw/zinc/13/38/76/1080133876.db2.gz VNOOWUXLQCCDKV-SFHVURJKSA-N 1 2 424.586 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)N[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000806980832 1080189709 /nfs/dbraw/zinc/18/97/09/1080189709.db2.gz WDMXVJJROGIOQK-LSDHHAIUSA-N 1 2 402.486 2.511 20 0 HFADLO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807056647 1080239644 /nfs/dbraw/zinc/23/96/44/1080239644.db2.gz GWQKCJYLLSLDSJ-MORSLUCNSA-N 1 2 413.534 2.863 20 0 HFADLO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807056647 1080239655 /nfs/dbraw/zinc/23/96/55/1080239655.db2.gz GWQKCJYLLSLDSJ-MORSLUCNSA-N 1 2 413.534 2.863 20 0 HFADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089170 1080268898 /nfs/dbraw/zinc/26/88/98/1080268898.db2.gz VZFOJAGITQEFJU-YADHBBJMSA-N 1 2 407.514 2.573 20 0 HFADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089170 1080268908 /nfs/dbraw/zinc/26/89/08/1080268908.db2.gz VZFOJAGITQEFJU-YADHBBJMSA-N 1 2 407.514 2.573 20 0 HFADLO O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000807150796 1080308343 /nfs/dbraw/zinc/30/83/43/1080308343.db2.gz XUMWNLRDOUXBKG-MSOLQXFVSA-N 1 2 403.527 2.821 20 0 HFADLO CCN(C(C)=O)c1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cn1 ZINC001130860611 1080320665 /nfs/dbraw/zinc/32/06/65/1080320665.db2.gz CIFQFRHJGIRFPJ-UHFFFAOYSA-N 1 2 420.473 2.932 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1 ZINC000807281320 1080441528 /nfs/dbraw/zinc/44/15/28/1080441528.db2.gz RALYZKDHUBGRDJ-GOSISDBHSA-N 1 2 423.498 2.623 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000807283357 1080443665 /nfs/dbraw/zinc/44/36/65/1080443665.db2.gz GZWPTECPQJCVOD-JXFKEZNVSA-N 1 2 405.454 2.576 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCCCc1ccc(Br)cc1 ZINC000807284771 1080444333 /nfs/dbraw/zinc/44/43/33/1080444333.db2.gz URTYBDZTCOTLGZ-INIZCTEOSA-N 1 2 408.296 2.716 20 0 HFADLO C[C@H](CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)Cn1cc[nH+]c1 ZINC000747400107 1080635459 /nfs/dbraw/zinc/63/54/59/1080635459.db2.gz GBXRTTRMZXETSV-APWZRJJASA-N 1 2 411.506 2.612 20 0 HFADLO CC(C)Oc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)S(C)(=O)=O)[NH+](C)C)cc1 ZINC000807589301 1080800581 /nfs/dbraw/zinc/80/05/81/1080800581.db2.gz VCBKRRWNZGFQIB-GOSISDBHSA-N 1 2 413.584 2.541 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000807556251 1080806480 /nfs/dbraw/zinc/80/64/80/1080806480.db2.gz MNOPXVDWIYWTSZ-UHFFFAOYSA-N 1 2 415.925 2.599 20 0 HFADLO CC(C)(C)OC(=O)NCc1nc(C[NH2+][C@](C)(CO)Cc2ccc(Cl)cc2)no1 ZINC001560182926 1126208806 /nfs/dbraw/zinc/20/88/06/1126208806.db2.gz JUQPMIGCTKGXOM-IBGZPJMESA-N 1 2 410.902 2.831 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4cccc(Cl)c4n3)CC2)C1=O ZINC001164635694 719272560 /nfs/dbraw/zinc/27/25/60/719272560.db2.gz TXTSZNUARXQDIZ-UHFFFAOYSA-N 1 2 402.926 2.648 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4cccc(Cl)c4n3)CC2)C1=O ZINC001164635694 719272562 /nfs/dbraw/zinc/27/25/62/719272562.db2.gz TXTSZNUARXQDIZ-UHFFFAOYSA-N 1 2 402.926 2.648 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C)c4cccc(Cl)c4n3)CC2)C1=O ZINC001164639150 719278241 /nfs/dbraw/zinc/27/82/41/719278241.db2.gz IMVLTEYMPVCZJW-UHFFFAOYSA-N 1 2 416.953 2.956 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C)c4cccc(Cl)c4n3)CC2)C1=O ZINC001164639150 719278245 /nfs/dbraw/zinc/27/82/45/719278245.db2.gz IMVLTEYMPVCZJW-UHFFFAOYSA-N 1 2 416.953 2.956 20 0 HFADLO NC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164671192 719494975 /nfs/dbraw/zinc/49/49/75/719494975.db2.gz ZWWSLNYPRIZTIS-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO NC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164671192 719494976 /nfs/dbraw/zinc/49/49/76/719494976.db2.gz ZWWSLNYPRIZTIS-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676312 719566344 /nfs/dbraw/zinc/56/63/44/719566344.db2.gz AKRNUHGWGHOTKR-UHFFFAOYSA-N 1 2 406.824 2.959 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(C)cc2nc1Cl ZINC001164706850 719851830 /nfs/dbraw/zinc/85/18/30/719851830.db2.gz ZAQGPYGLAZJBBM-QVKFZJNVSA-N 1 2 418.925 2.824 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2c(Cl)ccnc2cn1 ZINC001164700186 719860163 /nfs/dbraw/zinc/86/01/63/719860163.db2.gz HDRAKIIRNGZGBT-JLTOFOAXSA-N 1 2 404.898 2.516 20 0 HFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164705242 719936276 /nfs/dbraw/zinc/93/62/76/719936276.db2.gz XBPSCVOLVBQOSN-UHFFFAOYSA-N 1 2 424.936 2.572 20 0 HFADLO Cc1c[nH]c2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)ccc12 ZINC001164825596 720365223 /nfs/dbraw/zinc/36/52/23/720365223.db2.gz RNZUHIGGCULGST-UHFFFAOYSA-N 1 2 424.574 2.949 20 0 HFADLO Cc1c[nH]c2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)ccc12 ZINC001164825596 720365229 /nfs/dbraw/zinc/36/52/29/720365229.db2.gz RNZUHIGGCULGST-UHFFFAOYSA-N 1 2 424.574 2.949 20 0 HFADLO FC(F)(c1cc(Cl)ncn1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164768485 721271089 /nfs/dbraw/zinc/27/10/89/721271089.db2.gz UWSLCACVRYRUQY-CYBMUJFWSA-N 1 2 406.824 2.982 20 0 HFADLO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164781106 721396826 /nfs/dbraw/zinc/39/68/26/721396826.db2.gz BPYUJWMZMLLZGP-RYUDHWBXSA-N 1 2 414.913 2.766 20 0 HFADLO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164781940 721427847 /nfs/dbraw/zinc/42/78/47/721427847.db2.gz DVKYUMKALUOENR-UWVGGRQHSA-N 1 2 411.869 2.528 20 0 HFADLO CS(=O)(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904300 721697343 /nfs/dbraw/zinc/69/73/43/721697343.db2.gz FIAWYNHOXJHAEP-LJQANCHMSA-N 1 2 422.501 2.618 20 0 HFADLO CS(=O)(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904300 721697345 /nfs/dbraw/zinc/69/73/45/721697345.db2.gz FIAWYNHOXJHAEP-LJQANCHMSA-N 1 2 422.501 2.618 20 0 HFADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(-c2ccco2)n1 ZINC001164913891 721797009 /nfs/dbraw/zinc/79/70/09/721797009.db2.gz IJDUMXCISIWHGH-HSZRJFAPSA-N 1 2 421.501 2.548 20 0 HFADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(-c2ccco2)n1 ZINC001164913891 721797011 /nfs/dbraw/zinc/79/70/11/721797011.db2.gz IJDUMXCISIWHGH-HSZRJFAPSA-N 1 2 421.501 2.548 20 0 HFADLO c1cc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cs1 ZINC001164913449 721798857 /nfs/dbraw/zinc/79/88/57/721798857.db2.gz DGLYRGASSRJLTA-JOCHJYFZSA-N 1 2 423.542 2.708 20 0 HFADLO c1cc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cs1 ZINC001164913449 721798859 /nfs/dbraw/zinc/79/88/59/721798859.db2.gz DGLYRGASSRJLTA-JOCHJYFZSA-N 1 2 423.542 2.708 20 0 HFADLO COc1cc2ncc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nc2cc1OC ZINC001164916411 721815082 /nfs/dbraw/zinc/81/50/82/721815082.db2.gz DEUIJRLCJRCTPA-UHFFFAOYSA-N 1 2 408.506 2.593 20 0 HFADLO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC1)c1ncc(C)n1CC[N@H+]2C ZINC001164918350 721818557 /nfs/dbraw/zinc/81/85/57/721818557.db2.gz PCMVCGPEGRFNRO-UHFFFAOYSA-N 1 2 412.872 2.630 20 0 HFADLO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC1)c1ncc(C)n1CC[N@@H+]2C ZINC001164918350 721818559 /nfs/dbraw/zinc/81/85/59/721818559.db2.gz PCMVCGPEGRFNRO-UHFFFAOYSA-N 1 2 412.872 2.630 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(C(=O)N3CCC[C@@H](C)C3)cn2)CC1 ZINC001164918879 721818904 /nfs/dbraw/zinc/81/89/04/721818904.db2.gz WTEREILAXGXFOR-GOSISDBHSA-N 1 2 422.577 2.900 20 0 HFADLO CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)c1cccc(Cl)c1 ZINC001170138776 1078048301 /nfs/dbraw/zinc/04/83/01/1078048301.db2.gz FDWFNISYKYBBQA-IRXDYDNUSA-N 1 2 419.913 2.802 20 0 HFADLO Cc1cccc2c1C[C@@H](C(=O)N1CC[NH2+][C@H](c3cn[nH]c3)C1)N2C(=O)OC(C)(C)C ZINC001170138783 1078048338 /nfs/dbraw/zinc/04/83/38/1078048338.db2.gz FJDXXBNSIPTDOL-HKUYNNGSSA-N 1 2 411.506 2.557 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NC[C@H](O)c2ccc(Cl)cc2)[C@@H]1c1c[nH+]cn1C ZINC000793013620 1078048554 /nfs/dbraw/zinc/04/85/54/1078048554.db2.gz WUCLPCZOYBXOKU-IMFGXOCKSA-N 1 2 418.925 2.613 20 0 HFADLO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3nnnn3C3CC3)C2=O)ccc1Br ZINC000790535780 1078053265 /nfs/dbraw/zinc/05/32/65/1078053265.db2.gz RZCBQULUYLAEBX-MLGOLLRUSA-N 1 2 419.327 2.925 20 0 HFADLO O=C(Nc1cccc(F)n1)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000793065758 1078060625 /nfs/dbraw/zinc/06/06/25/1078060625.db2.gz BQTDRYCXNBPMLZ-UHFFFAOYSA-N 1 2 401.829 2.738 20 0 HFADLO Cc1ccc(NC(=O)C(=O)N2CCc3ccc(Br)cc3C2)c(N(C)C)[nH+]1 ZINC000793089344 1078066285 /nfs/dbraw/zinc/06/62/85/1078066285.db2.gz IDTKZEAOQYHGMM-UHFFFAOYSA-N 1 2 417.307 2.742 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Oc2ccc(NC(=O)OC)cc2)[C@@H]1c1c[nH+]cn1C ZINC000793092920 1078068045 /nfs/dbraw/zinc/06/80/45/1078068045.db2.gz QTCMHRCUVGNLEV-VQIMIIECSA-N 1 2 414.462 2.894 20 0 HFADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)Nc1ccc(C)c(Br)n1 ZINC000793060766 1078069335 /nfs/dbraw/zinc/06/93/35/1078069335.db2.gz ABSJQPVERMHWNQ-UHFFFAOYSA-N 1 2 422.327 2.789 20 0 HFADLO C[C@]1(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793121096 1078070418 /nfs/dbraw/zinc/07/04/18/1078070418.db2.gz LLBYJRHXWBTGSZ-CVDCTZTESA-N 1 2 423.517 2.761 20 0 HFADLO Cc1nc(SC(F)F)sc1CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000793157749 1078092434 /nfs/dbraw/zinc/09/24/34/1078092434.db2.gz JARKGDXPIOAFRO-INIZCTEOSA-N 1 2 423.576 2.633 20 0 HFADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1 ZINC000772828876 1078093455 /nfs/dbraw/zinc/09/34/55/1078093455.db2.gz VTLJKDUBZVTTAJ-INIZCTEOSA-N 1 2 422.938 2.879 20 0 HFADLO COCC1(C(=O)NCC[NH+]2Cc3ccccc3C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793188101 1078096873 /nfs/dbraw/zinc/09/68/73/1078096873.db2.gz LXTWOGJQSPWVAG-UHFFFAOYSA-N 1 2 417.550 2.782 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000793239429 1078108082 /nfs/dbraw/zinc/10/80/82/1078108082.db2.gz BIPSLWBAUSTWDO-UHFFFAOYSA-N 1 2 421.425 2.899 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000793248741 1078109977 /nfs/dbraw/zinc/10/99/77/1078109977.db2.gz CTLPOGNWNGRMHQ-UHFFFAOYSA-N 1 2 400.485 2.706 20 0 HFADLO COc1ccccc1C(=O)N1[C@H](C(=O)OCCc2c[nH+]cn2C)C[C@@H]2CCCC[C@@H]21 ZINC000793249312 1078110352 /nfs/dbraw/zinc/11/03/52/1078110352.db2.gz GTKAZXITPUFHIG-VDGAXYAQSA-N 1 2 411.502 2.988 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(c3cccnc3)=NO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000790817413 1078153655 /nfs/dbraw/zinc/15/36/55/1078153655.db2.gz HGAQZCYPPRCSPF-UHOSZYNNSA-N 1 2 402.857 2.929 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(c3cccnc3)=NO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000790817413 1078153656 /nfs/dbraw/zinc/15/36/56/1078153656.db2.gz HGAQZCYPPRCSPF-UHOSZYNNSA-N 1 2 402.857 2.929 20 0 HFADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(F)(F)C2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000790834177 1078160941 /nfs/dbraw/zinc/16/09/41/1078160941.db2.gz MMFWNTLCHFVHDB-IAGOWNOFSA-N 1 2 402.869 2.890 20 0 HFADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(F)(F)C2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000790834177 1078160944 /nfs/dbraw/zinc/16/09/44/1078160944.db2.gz MMFWNTLCHFVHDB-IAGOWNOFSA-N 1 2 402.869 2.890 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000793458762 1078193045 /nfs/dbraw/zinc/19/30/45/1078193045.db2.gz SKDYZPJZWPXQJY-LPHOPBHVSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000793458762 1078193048 /nfs/dbraw/zinc/19/30/48/1078193048.db2.gz SKDYZPJZWPXQJY-LPHOPBHVSA-N 1 2 409.571 2.782 20 0 HFADLO CCOc1ccnc(N2CCC[N@H+](CN3CC[C@H](CCc4ccccc4)C3=O)CC2)n1 ZINC000793503668 1078204723 /nfs/dbraw/zinc/20/47/23/1078204723.db2.gz JBBNUVDUOCTCKB-NRFANRHFSA-N 1 2 423.561 2.826 20 0 HFADLO CCOc1ccnc(N2CCC[N@@H+](CN3CC[C@H](CCc4ccccc4)C3=O)CC2)n1 ZINC000793503668 1078204725 /nfs/dbraw/zinc/20/47/25/1078204725.db2.gz JBBNUVDUOCTCKB-NRFANRHFSA-N 1 2 423.561 2.826 20 0 HFADLO CN(C(=O)c1ccncc1)c1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000793534064 1078205793 /nfs/dbraw/zinc/20/57/93/1078205793.db2.gz LJWNVQDHDAAPCY-QFIPXVFZSA-N 1 2 422.529 2.618 20 0 HFADLO CN(C(=O)c1ccncc1)c1ccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000793534064 1078205797 /nfs/dbraw/zinc/20/57/97/1078205797.db2.gz LJWNVQDHDAAPCY-QFIPXVFZSA-N 1 2 422.529 2.618 20 0 HFADLO C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000793602492 1078221563 /nfs/dbraw/zinc/22/15/63/1078221563.db2.gz VKWLWJBOUFVALI-OPAMFIHVSA-N 1 2 419.541 2.607 20 0 HFADLO C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000793602492 1078221567 /nfs/dbraw/zinc/22/15/67/1078221567.db2.gz VKWLWJBOUFVALI-OPAMFIHVSA-N 1 2 419.541 2.607 20 0 HFADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)c(C)c1 ZINC000793650570 1078242035 /nfs/dbraw/zinc/24/20/35/1078242035.db2.gz LESLUEZAYNNPFJ-XMSQKQJNSA-N 1 2 420.513 2.727 20 0 HFADLO COCC1(C(=O)NCc2ccn3cc[nH+]c3c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793668823 1078246242 /nfs/dbraw/zinc/24/62/42/1078246242.db2.gz JJHLVENLTXILJD-UHFFFAOYSA-N 1 2 402.495 2.614 20 0 HFADLO O=C(COC(=O)c1ccc2ncsc2c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000793713486 1078261223 /nfs/dbraw/zinc/26/12/23/1078261223.db2.gz MXBPKKQRFJUERO-UHFFFAOYSA-N 1 2 401.513 2.859 20 0 HFADLO C[C@]1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793721942 1078265841 /nfs/dbraw/zinc/26/58/41/1078265841.db2.gz OFIAVJJSDYRQSK-CVDCTZTESA-N 1 2 408.502 2.825 20 0 HFADLO CC[C@]1(C(C)C)NC(=O)N(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793725613 1078267958 /nfs/dbraw/zinc/26/79/58/1078267958.db2.gz XGOAZURSQPTBBV-WHSLLNHNSA-N 1 2 408.543 2.632 20 0 HFADLO CC[C@]1(C(C)C)NC(=O)N(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793725613 1078267961 /nfs/dbraw/zinc/26/79/61/1078267961.db2.gz XGOAZURSQPTBBV-WHSLLNHNSA-N 1 2 408.543 2.632 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)N[C@@](C)(C4CCCC4)C3=O)CC[C@H]21 ZINC000793704911 1078275938 /nfs/dbraw/zinc/27/59/38/1078275938.db2.gz KCAJCZPHYPCETA-JLDZCNIISA-N 1 2 420.554 2.776 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)N[C@@](C)(C4CCCC4)C3=O)CC[C@H]21 ZINC000793704911 1078275946 /nfs/dbraw/zinc/27/59/46/1078275946.db2.gz KCAJCZPHYPCETA-JLDZCNIISA-N 1 2 420.554 2.776 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)N[C@](C)(C(C)(C)C)C3=O)CC[C@@H]21 ZINC000793704983 1078276101 /nfs/dbraw/zinc/27/61/01/1078276101.db2.gz KUWGACXVGAVZPK-WIEQDCTASA-N 1 2 408.543 2.632 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)N[C@](C)(C(C)(C)C)C3=O)CC[C@@H]21 ZINC000793704983 1078276103 /nfs/dbraw/zinc/27/61/03/1078276103.db2.gz KUWGACXVGAVZPK-WIEQDCTASA-N 1 2 408.543 2.632 20 0 HFADLO CC[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000793737341 1078285540 /nfs/dbraw/zinc/28/55/40/1078285540.db2.gz ZNSXASSRGNXIGF-NZSAHSFTSA-N 1 2 409.571 2.782 20 0 HFADLO CC[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000793737341 1078285546 /nfs/dbraw/zinc/28/55/46/1078285546.db2.gz ZNSXASSRGNXIGF-NZSAHSFTSA-N 1 2 409.571 2.782 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c1C ZINC000793753412 1078291856 /nfs/dbraw/zinc/29/18/56/1078291856.db2.gz XVOCYGPTDUXJGS-WIYYLYMNSA-N 1 2 411.502 2.607 20 0 HFADLO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000793772234 1078307312 /nfs/dbraw/zinc/30/73/12/1078307312.db2.gz OINHMFCOBSUQPE-SFHVURJKSA-N 1 2 424.545 2.818 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2cccc3c2OCC[C@@H]3O)[C@@H]1c1c[nH+]cn1C ZINC000793831678 1078321029 /nfs/dbraw/zinc/32/10/29/1078321029.db2.gz WSSDDYMTFJCMTG-MOXGXCLJSA-N 1 2 412.490 2.564 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NCC[C@@](C)(O)c2ccccc2)[C@@H]1c1c[nH+]cn1C ZINC000793884968 1078326441 /nfs/dbraw/zinc/32/64/41/1078326441.db2.gz LZEJHHRAFAJUDH-JMUQELJHSA-N 1 2 412.534 2.524 20 0 HFADLO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000793912238 1078335935 /nfs/dbraw/zinc/33/59/35/1078335935.db2.gz DJTXYUYGKLGZOY-OAQYLSRUSA-N 1 2 424.476 2.518 20 0 HFADLO CO[C@@H](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000794343803 1078420983 /nfs/dbraw/zinc/42/09/83/1078420983.db2.gz DEUACRIFLPNDQO-XJKSGUPXSA-N 1 2 416.303 2.797 20 0 HFADLO CO[C@@H](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000794343803 1078420987 /nfs/dbraw/zinc/42/09/87/1078420987.db2.gz DEUACRIFLPNDQO-XJKSGUPXSA-N 1 2 416.303 2.797 20 0 HFADLO CCNc1nc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000804431682 1078476911 /nfs/dbraw/zinc/47/69/11/1078476911.db2.gz VHKGPATWGLHZEJ-AWEZNQCLSA-N 1 2 407.563 2.629 20 0 HFADLO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804435992 1078479090 /nfs/dbraw/zinc/47/90/90/1078479090.db2.gz LBMKZBDDUIHLPM-OWYHZJEWSA-N 1 2 419.522 2.572 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000804437098 1078480756 /nfs/dbraw/zinc/48/07/56/1078480756.db2.gz VLRZNOMIEGTLFD-YZGWKJHDSA-N 1 2 417.550 2.617 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC000804436966 1078480772 /nfs/dbraw/zinc/48/07/72/1078480772.db2.gz UTYQCIPPGHKFLT-QUCCMNQESA-N 1 2 420.513 2.849 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000804439072 1078484166 /nfs/dbraw/zinc/48/41/66/1078484166.db2.gz VKRQMAQFMVEZDX-GDBMZVCRSA-N 1 2 419.323 2.570 20 0 HFADLO C[C@@H]1[C@H](CO)CCCN1C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129772804 1078483202 /nfs/dbraw/zinc/48/32/02/1078483202.db2.gz FUKXGTMZQCZLRV-QUCCMNQESA-N 1 2 419.566 2.633 20 0 HFADLO C[C@@H]1[C@H](CO)CCCN1C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129772804 1078483205 /nfs/dbraw/zinc/48/32/05/1078483205.db2.gz FUKXGTMZQCZLRV-QUCCMNQESA-N 1 2 419.566 2.633 20 0 HFADLO C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C(=O)NCCc1ccccc1 ZINC001129504054 1078496612 /nfs/dbraw/zinc/49/66/12/1078496612.db2.gz VHWSMLDCGYARCB-WIYYLYMNSA-N 1 2 411.571 2.640 20 0 HFADLO Cc1ccc(-n2nc(C(=O)NC(C)(C)C[NH+]3CCOCC3)c3c2CCC3)c(F)c1 ZINC001129857333 1078537638 /nfs/dbraw/zinc/53/76/38/1078537638.db2.gz SDKQWYHLPKHARZ-UHFFFAOYSA-N 1 2 400.498 2.649 20 0 HFADLO C=CC[N@@H+](CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)Cc1cccc(C#N)c1 ZINC000063300875 1078583141 /nfs/dbraw/zinc/58/31/41/1078583141.db2.gz XCCIAPGLILSAJV-UHFFFAOYSA-N 1 2 421.453 2.758 20 0 HFADLO C=CC[N@H+](CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)Cc1cccc(C#N)c1 ZINC000063300875 1078583153 /nfs/dbraw/zinc/58/31/53/1078583153.db2.gz XCCIAPGLILSAJV-UHFFFAOYSA-N 1 2 421.453 2.758 20 0 HFADLO Cn1cc(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c2ccccc21 ZINC000804760738 1078608554 /nfs/dbraw/zinc/60/85/54/1078608554.db2.gz ZFROOFRXGDIPNR-KRWDZBQOSA-N 1 2 412.534 2.946 20 0 HFADLO Cc1ccc(/C=C\C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000804760914 1078612558 /nfs/dbraw/zinc/61/25/58/1078612558.db2.gz RDCIBLHGPFNCPR-QULHZPMSSA-N 1 2 400.523 2.557 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C/c3ccnc(Cl)c3)C2)CC1 ZINC000804760950 1078612635 /nfs/dbraw/zinc/61/26/35/1078612635.db2.gz RZAVHCGWUQTSRJ-LAQIPUCWSA-N 1 2 420.941 2.902 20 0 HFADLO COc1c[nH+]c(NC[C@H]2COC3(CCCC3)O2)nc1NC[C@H]1COC2(CCCC2)O1 ZINC000804590512 1078624541 /nfs/dbraw/zinc/62/45/41/1078624541.db2.gz XVAWZPNBXGSAKA-HOTGVXAUSA-N 1 2 420.510 2.680 20 0 HFADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cccnc2OCc2ccccc2F)CC1 ZINC001129962002 1078635959 /nfs/dbraw/zinc/63/59/59/1078635959.db2.gz LATYRMDWHQZUNO-UHFFFAOYSA-N 1 2 414.525 2.946 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3ncnc4cccc(F)c43)C2)CC1 ZINC000804835444 1078677653 /nfs/dbraw/zinc/67/76/53/1078677653.db2.gz UYOVBVFIRREVAN-HNNXBMFYSA-N 1 2 401.486 2.900 20 0 HFADLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC001129728737 1078678142 /nfs/dbraw/zinc/67/81/42/1078678142.db2.gz UMAIWZQUCKHCMD-OAQYLSRUSA-N 1 2 407.514 2.611 20 0 HFADLO C[C@H]1CN(c2cc(Br)cnc2Br)CC[N@@H+]1CC(C)(C)O ZINC000804632930 1078711403 /nfs/dbraw/zinc/71/14/03/1078711403.db2.gz DVIVEXLOJMWWFC-JTQLQIEISA-N 1 2 407.150 2.888 20 0 HFADLO C[C@H]1CN(c2cc(Br)cnc2Br)CC[N@H+]1CC(C)(C)O ZINC000804632930 1078711406 /nfs/dbraw/zinc/71/14/06/1078711406.db2.gz DVIVEXLOJMWWFC-JTQLQIEISA-N 1 2 407.150 2.888 20 0 HFADLO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)nc3C)CC2)cc1 ZINC000804944145 1078772234 /nfs/dbraw/zinc/77/22/34/1078772234.db2.gz LQJWAQIOYSOEHN-UHFFFAOYSA-N 1 2 409.939 2.949 20 0 HFADLO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)nc3C)CC2)cc1 ZINC000804944145 1078772238 /nfs/dbraw/zinc/77/22/38/1078772238.db2.gz LQJWAQIOYSOEHN-UHFFFAOYSA-N 1 2 409.939 2.949 20 0 HFADLO Cc1ccc(N2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CC2=O)cc1 ZINC000804985749 1078821701 /nfs/dbraw/zinc/82/17/01/1078821701.db2.gz YQJYYDYRSLAYKZ-UHFFFAOYSA-N 1 2 407.449 2.878 20 0 HFADLO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000804985763 1078821808 /nfs/dbraw/zinc/82/18/08/1078821808.db2.gz YYTWFBDILYVTPN-KRWDZBQOSA-N 1 2 414.359 2.648 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000805106717 1078890225 /nfs/dbraw/zinc/89/02/25/1078890225.db2.gz IXKFUAFOSLLLKN-GOSISDBHSA-N 1 2 420.535 2.563 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3cc(F)ccc3F)C2)CC1 ZINC000805079163 1078910554 /nfs/dbraw/zinc/91/05/54/1078910554.db2.gz SMVZDFYGUTXSAF-KRWDZBQOSA-N 1 2 424.492 2.801 20 0 HFADLO CC(C)COc1ccc(CCNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000805143800 1078943101 /nfs/dbraw/zinc/94/31/01/1078943101.db2.gz NHGFLYLFEBORGG-LJQANCHMSA-N 1 2 412.534 2.520 20 0 HFADLO O=C([C@H]1[C@@H]2CCC(=O)[C@@H]21)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001130210949 1079088153 /nfs/dbraw/zinc/08/81/53/1079088153.db2.gz QCLNLHRVBAMQAN-XYPHTWIQSA-N 1 2 403.280 2.689 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000805480168 1079093879 /nfs/dbraw/zinc/09/38/79/1079093879.db2.gz YRXWISDZNUFALQ-HXUWFJFHSA-N 1 2 412.442 2.797 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000805480168 1079093883 /nfs/dbraw/zinc/09/38/83/1079093883.db2.gz YRXWISDZNUFALQ-HXUWFJFHSA-N 1 2 412.442 2.797 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000805775583 1079248015 /nfs/dbraw/zinc/24/80/15/1079248015.db2.gz GTULXCROCDQXNF-KRWDZBQOSA-N 1 2 405.495 2.777 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000805775583 1079248019 /nfs/dbraw/zinc/24/80/19/1079248019.db2.gz GTULXCROCDQXNF-KRWDZBQOSA-N 1 2 405.495 2.777 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000805776372 1079248911 /nfs/dbraw/zinc/24/89/11/1079248911.db2.gz PHTGOMQZFDYYJL-KRWDZBQOSA-N 1 2 400.516 2.980 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000805776372 1079248916 /nfs/dbraw/zinc/24/89/16/1079248916.db2.gz PHTGOMQZFDYYJL-KRWDZBQOSA-N 1 2 400.516 2.980 20 0 HFADLO C[C@H]1CC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788873 1079256481 /nfs/dbraw/zinc/25/64/81/1079256481.db2.gz PKJQSVRNUNXQJK-ONIAQPFYSA-N 1 2 411.468 2.955 20 0 HFADLO C[C@H]1CC[N@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788873 1079256483 /nfs/dbraw/zinc/25/64/83/1079256483.db2.gz PKJQSVRNUNXQJK-ONIAQPFYSA-N 1 2 411.468 2.955 20 0 HFADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000805796602 1079261318 /nfs/dbraw/zinc/26/13/18/1079261318.db2.gz GIQYMFTUHKOPLU-JSGCOSHPSA-N 1 2 402.451 2.953 20 0 HFADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000805796602 1079261325 /nfs/dbraw/zinc/26/13/25/1079261325.db2.gz GIQYMFTUHKOPLU-JSGCOSHPSA-N 1 2 402.451 2.953 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000805762348 1079263618 /nfs/dbraw/zinc/26/36/18/1079263618.db2.gz HMRXCYMGDYTRBP-HNNXBMFYSA-N 1 2 402.451 2.908 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000805762348 1079263622 /nfs/dbraw/zinc/26/36/22/1079263622.db2.gz HMRXCYMGDYTRBP-HNNXBMFYSA-N 1 2 402.451 2.908 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000805763256 1079264555 /nfs/dbraw/zinc/26/45/55/1079264555.db2.gz WYJCETMYSOHZSU-QGZVFWFLSA-N 1 2 404.511 2.894 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000805763256 1079264559 /nfs/dbraw/zinc/26/45/59/1079264559.db2.gz WYJCETMYSOHZSU-QGZVFWFLSA-N 1 2 404.511 2.894 20 0 HFADLO Cc1nc(C[NH+]2CCC(C(=O)O[C@H]3CC(=O)N(C(=O)OC(C)(C)C)C3)CC2)cs1 ZINC000805946973 1079348258 /nfs/dbraw/zinc/34/82/58/1079348258.db2.gz AXTISAAPBSAFHO-INIZCTEOSA-N 1 2 423.535 2.743 20 0 HFADLO Cc1nc(C[NH+]2CCC(C(=O)O[C@@H]3CC(=O)N(C(=O)OC(C)(C)C)C3)CC2)cs1 ZINC000805946974 1079348282 /nfs/dbraw/zinc/34/82/82/1079348282.db2.gz AXTISAAPBSAFHO-MRXNPFEDSA-N 1 2 423.535 2.743 20 0 HFADLO COCc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000806189167 1079479940 /nfs/dbraw/zinc/47/99/40/1079479940.db2.gz MJQMLDLHCFNAAM-LJQANCHMSA-N 1 2 418.538 2.992 20 0 HFADLO CC(=O)[C@@H]1CC(C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)=NN1c1ccccc1 ZINC001130551032 1079487731 /nfs/dbraw/zinc/48/77/31/1079487731.db2.gz VSGWIEPXRGNPPY-GGAORHGYSA-N 1 2 404.514 2.596 20 0 HFADLO CC(=O)[C@@H]1CC(C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)=NN1c1ccccc1 ZINC001130551032 1079487735 /nfs/dbraw/zinc/48/77/35/1079487735.db2.gz VSGWIEPXRGNPPY-GGAORHGYSA-N 1 2 404.514 2.596 20 0 HFADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787333179 1076746019 /nfs/dbraw/zinc/74/60/19/1076746019.db2.gz WHQZYIUFGDDBPB-FNXXIHLHSA-N 1 2 424.476 2.602 20 0 HFADLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787333179 1076746022 /nfs/dbraw/zinc/74/60/22/1076746022.db2.gz WHQZYIUFGDDBPB-FNXXIHLHSA-N 1 2 424.476 2.602 20 0 HFADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787333185 1076746070 /nfs/dbraw/zinc/74/60/70/1076746070.db2.gz WHQZYIUFGDDBPB-OXTHUFEASA-N 1 2 424.476 2.602 20 0 HFADLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787333185 1076746074 /nfs/dbraw/zinc/74/60/74/1076746074.db2.gz WHQZYIUFGDDBPB-OXTHUFEASA-N 1 2 424.476 2.602 20 0 HFADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000787349849 1076790508 /nfs/dbraw/zinc/79/05/08/1076790508.db2.gz SIWLLIUQDTVQAQ-UHFFFAOYSA-N 1 2 417.884 2.871 20 0 HFADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000787349849 1076790512 /nfs/dbraw/zinc/79/05/12/1076790512.db2.gz SIWLLIUQDTVQAQ-UHFFFAOYSA-N 1 2 417.884 2.871 20 0 HFADLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787352455 1076793064 /nfs/dbraw/zinc/79/30/64/1076793064.db2.gz LYUWHYSOLHJLSW-MSOLQXFVSA-N 1 2 422.522 2.627 20 0 HFADLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787352455 1076793066 /nfs/dbraw/zinc/79/30/66/1076793066.db2.gz LYUWHYSOLHJLSW-MSOLQXFVSA-N 1 2 422.522 2.627 20 0 HFADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1ccc(N2CCCC2)c(F)c1 ZINC000787396794 1076806819 /nfs/dbraw/zinc/80/68/19/1076806819.db2.gz ADJJPQAWXRYCAQ-UHFFFAOYSA-N 1 2 402.474 2.599 20 0 HFADLO COC(=O)c1ccc(CNc2ccc(N3CC[NH+](C)CC3)c(Br)c2)[nH]1 ZINC000787441729 1076812293 /nfs/dbraw/zinc/81/22/93/1076812293.db2.gz YRUZJLNXUJTCTK-UHFFFAOYSA-N 1 2 407.312 2.928 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3cnn4c3CCCC4)cc2Br)CC1 ZINC000787533664 1076851188 /nfs/dbraw/zinc/85/11/88/1076851188.db2.gz RAHUBAQHQJZJHX-UHFFFAOYSA-N 1 2 418.339 2.986 20 0 HFADLO Nc1cc(COC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc[nH+]1 ZINC000787570856 1076867940 /nfs/dbraw/zinc/86/79/40/1076867940.db2.gz HQZIJZCSMLINPH-UHFFFAOYSA-N 1 2 401.419 2.961 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3cnccn3)cc2Br)CC1 ZINC000787676113 1076890352 /nfs/dbraw/zinc/89/03/52/1076890352.db2.gz UUZXYPSJJXYORK-HWKANZROSA-N 1 2 402.296 2.643 20 0 HFADLO CC(=O)OCCCS(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000787913178 1076992865 /nfs/dbraw/zinc/99/28/65/1076992865.db2.gz LNTFSPOPYGCGHG-UHFFFAOYSA-N 1 2 416.543 2.677 20 0 HFADLO Cc1ccc(OCCCCNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000787926855 1077000370 /nfs/dbraw/zinc/00/03/70/1077000370.db2.gz RNEBCEMDMRXERL-UHFFFAOYSA-N 1 2 406.486 2.772 20 0 HFADLO CCN(CC)C(=O)C1CC[NH+](CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000746715705 1077003541 /nfs/dbraw/zinc/00/35/41/1077003541.db2.gz HGYDKDFDLDJUDW-KSFYIVLOSA-N 1 2 406.571 2.661 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)CC[C@]3(C)CCC(=O)N3)cc2Br)CC1 ZINC000788019224 1077030479 /nfs/dbraw/zinc/03/04/79/1077030479.db2.gz RCJYKQWATJJJBD-LJQANCHMSA-N 1 2 423.355 2.588 20 0 HFADLO CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)o1 ZINC000788239434 1077084637 /nfs/dbraw/zinc/08/46/37/1077084637.db2.gz CAXTTYBXKSFCFK-CQSZACIVSA-N 1 2 405.520 2.882 20 0 HFADLO CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)o1 ZINC000788239434 1077084641 /nfs/dbraw/zinc/08/46/41/1077084641.db2.gz CAXTTYBXKSFCFK-CQSZACIVSA-N 1 2 405.520 2.882 20 0 HFADLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)co1 ZINC000788245024 1077085672 /nfs/dbraw/zinc/08/56/72/1077085672.db2.gz DHZHDRBVJZGDAU-OAHLLOKOSA-N 1 2 420.535 2.588 20 0 HFADLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)co1 ZINC000788245024 1077085679 /nfs/dbraw/zinc/08/56/79/1077085679.db2.gz DHZHDRBVJZGDAU-OAHLLOKOSA-N 1 2 420.535 2.588 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2ccccc2N2CCCCC2)c1C ZINC000788309262 1077115109 /nfs/dbraw/zinc/11/51/09/1077115109.db2.gz DQPMIHMFNOLQHT-UHFFFAOYSA-N 1 2 410.518 2.630 20 0 HFADLO COc1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cnc1Br ZINC000788437470 1077147008 /nfs/dbraw/zinc/14/70/08/1077147008.db2.gz XDNJSGUYCNVLSI-UHFFFAOYSA-N 1 2 406.280 2.937 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000788603576 1077220707 /nfs/dbraw/zinc/22/07/07/1077220707.db2.gz GNSKHNWXEFAETA-CQSZACIVSA-N 1 2 402.303 2.781 20 0 HFADLO COc1ccc(CCS(=O)(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000788624731 1077234164 /nfs/dbraw/zinc/23/41/64/1077234164.db2.gz DGFJZDDPPYTYDW-UHFFFAOYSA-N 1 2 421.563 2.674 20 0 HFADLO CO[C@H]1CCOc2c(NC(=O)C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cccc21 ZINC000790912479 1077246632 /nfs/dbraw/zinc/24/66/32/1077246632.db2.gz UUOFUZSDFDAJHS-DLBZAZTESA-N 1 2 400.479 2.523 20 0 HFADLO CO[C@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cccc21 ZINC000790916999 1077249418 /nfs/dbraw/zinc/24/94/18/1077249418.db2.gz YBTWNNNTPMOQEC-IBGZPJMESA-N 1 2 406.442 2.597 20 0 HFADLO O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790957707 1077253964 /nfs/dbraw/zinc/25/39/64/1077253964.db2.gz FTPADXWYIGSCNR-INIZCTEOSA-N 1 2 416.465 2.688 20 0 HFADLO O=C(C[C@@H]1C=CS(=O)(=O)C1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790957707 1077253967 /nfs/dbraw/zinc/25/39/67/1077253967.db2.gz FTPADXWYIGSCNR-INIZCTEOSA-N 1 2 416.465 2.688 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000788656591 1077255029 /nfs/dbraw/zinc/25/50/29/1077255029.db2.gz SFIQBSRBXBYWPF-BGYRXZFFSA-N 1 2 419.485 2.639 20 0 HFADLO CN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788699272 1077263380 /nfs/dbraw/zinc/26/33/80/1077263380.db2.gz XFUIQUKAFBJGFV-HXUWFJFHSA-N 1 2 407.518 2.624 20 0 HFADLO O=C(c1cnc(OCC2CC2)cn1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000791016314 1077272604 /nfs/dbraw/zinc/27/26/04/1077272604.db2.gz HARIJQGMWSISQK-UHFFFAOYSA-N 1 2 403.486 2.772 20 0 HFADLO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788772450 1077277265 /nfs/dbraw/zinc/27/72/65/1077277265.db2.gz UEXJAFJEGKTPFQ-NQIIRXRSSA-N 1 2 408.498 2.873 20 0 HFADLO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788772450 1077277272 /nfs/dbraw/zinc/27/72/72/1077277272.db2.gz UEXJAFJEGKTPFQ-NQIIRXRSSA-N 1 2 408.498 2.873 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cnc(Br)c(Cl)c3)cc2C1 ZINC000791045247 1077281928 /nfs/dbraw/zinc/28/19/28/1077281928.db2.gz SFAOOFOMXJWEEN-UHFFFAOYSA-N 1 2 423.698 2.593 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cnc(Br)c(Cl)c3)cc2C1 ZINC000791045247 1077281934 /nfs/dbraw/zinc/28/19/34/1077281934.db2.gz SFAOOFOMXJWEEN-UHFFFAOYSA-N 1 2 423.698 2.593 20 0 HFADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1 ZINC000788772280 1077282004 /nfs/dbraw/zinc/28/20/04/1077282004.db2.gz PUWQWOMUBQWJBZ-SFHVURJKSA-N 1 2 415.534 2.893 20 0 HFADLO O=C(NC1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1)Oc1ccccc1 ZINC000788772690 1077296673 /nfs/dbraw/zinc/29/66/73/1077296673.db2.gz RSPPCCZIZRZXLS-LJQANCHMSA-N 1 2 421.497 2.815 20 0 HFADLO COC(=O)N1CCN(c2cc[nH+]cc2NS(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000791109054 1077300774 /nfs/dbraw/zinc/30/07/74/1077300774.db2.gz KVSOZUDIWHIBEQ-UHFFFAOYSA-N 1 2 418.519 2.894 20 0 HFADLO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)CCN1C(=O)OC(C)(C)C ZINC000788786207 1077302701 /nfs/dbraw/zinc/30/27/01/1077302701.db2.gz WOPRUCGUCPPWSK-TUVASFSCSA-N 1 2 409.531 2.910 20 0 HFADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000788836285 1077315234 /nfs/dbraw/zinc/31/52/34/1077315234.db2.gz DEOQXXCYGYMIHT-SFHVURJKSA-N 1 2 418.538 2.561 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)CSc3nc4ccccc4s3)cc2C1 ZINC000788836139 1077315573 /nfs/dbraw/zinc/31/55/73/1077315573.db2.gz KIKAIRLKXWKJGD-UHFFFAOYSA-N 1 2 412.540 2.871 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)CSc3nc4ccccc4s3)cc2C1 ZINC000788836139 1077315577 /nfs/dbraw/zinc/31/55/77/1077315577.db2.gz KIKAIRLKXWKJGD-UHFFFAOYSA-N 1 2 412.540 2.871 20 0 HFADLO C[C@@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746985749 1077319187 /nfs/dbraw/zinc/31/91/87/1077319187.db2.gz IKYGILSTAJXMFN-HIFRSBDPSA-N 1 2 404.413 2.606 20 0 HFADLO C[C@@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000746985749 1077319193 /nfs/dbraw/zinc/31/91/93/1077319193.db2.gz IKYGILSTAJXMFN-HIFRSBDPSA-N 1 2 404.413 2.606 20 0 HFADLO C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@H]1CCc3[nH+]c(C4CCCCC4)[nH]c3C1)CS2 ZINC000791270610 1077354509 /nfs/dbraw/zinc/35/45/09/1077354509.db2.gz FHYAXPONERCISP-OXTHUFEASA-N 1 2 402.564 2.885 20 0 HFADLO C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@H]1CCc3[nH]c(C4CCCCC4)[nH+]c3C1)CS2 ZINC000791270610 1077354514 /nfs/dbraw/zinc/35/45/14/1077354514.db2.gz FHYAXPONERCISP-OXTHUFEASA-N 1 2 402.564 2.885 20 0 HFADLO C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@@H]1CCc3[nH+]c(C4CCCCC4)[nH]c3C1)CS2 ZINC000791270612 1077354662 /nfs/dbraw/zinc/35/46/62/1077354662.db2.gz FHYAXPONERCISP-ZVGUJKQYSA-N 1 2 402.564 2.885 20 0 HFADLO C[C@]12CCC(=O)N1[C@@H](C(=O)N[C@@H]1CCc3[nH]c(C4CCCCC4)[nH+]c3C1)CS2 ZINC000791270612 1077354666 /nfs/dbraw/zinc/35/46/66/1077354666.db2.gz FHYAXPONERCISP-ZVGUJKQYSA-N 1 2 402.564 2.885 20 0 HFADLO CON(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000791301022 1077362330 /nfs/dbraw/zinc/36/23/30/1077362330.db2.gz HZVGNDPDCHEVIG-UHFFFAOYSA-N 1 2 415.471 2.720 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CCN(Cc4ccc(Cl)nc4)CC3)[nH+]c12 ZINC000746776151 1077364798 /nfs/dbraw/zinc/36/47/98/1077364798.db2.gz PIEBNBPTXOSDIZ-UHFFFAOYSA-N 1 2 412.925 2.761 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CCc4c(cccc4N4CCOC4=O)C3)[nH+]c12 ZINC000746776456 1077366661 /nfs/dbraw/zinc/36/66/61/1077366661.db2.gz SZDNCTTVOQMZCD-UHFFFAOYSA-N 1 2 419.485 2.910 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000789040504 1077391645 /nfs/dbraw/zinc/39/16/45/1077391645.db2.gz TTZPDNMFCJNJEF-PKOBYXMFSA-N 1 2 420.554 2.615 20 0 HFADLO COc1cc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1Br ZINC000746783344 1077393179 /nfs/dbraw/zinc/39/31/79/1077393179.db2.gz KVLNYJHXXSQRQK-HNNXBMFYSA-N 1 2 423.311 2.824 20 0 HFADLO Cc1cc(N2CCN(CCS(=O)(=O)Cc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000791445276 1077409767 /nfs/dbraw/zinc/40/97/67/1077409767.db2.gz JJAMWSZKMMBMAO-UHFFFAOYSA-N 1 2 402.564 2.645 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC000791428104 1077416882 /nfs/dbraw/zinc/41/68/82/1077416882.db2.gz FZRBIRAXNBJSBM-RSQQPWMTSA-N 1 2 424.501 2.971 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CCN1CCS(=O)(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000791578271 1077469447 /nfs/dbraw/zinc/46/94/47/1077469447.db2.gz IXIPROFXIMSKTQ-AAVRWANBSA-N 1 2 424.451 2.947 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CCN1CCS(=O)(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000791578271 1077469450 /nfs/dbraw/zinc/46/94/50/1077469450.db2.gz IXIPROFXIMSKTQ-AAVRWANBSA-N 1 2 424.451 2.947 20 0 HFADLO O=C(CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1)NCC(=O)c1ccccc1 ZINC000791649405 1077511104 /nfs/dbraw/zinc/51/11/04/1077511104.db2.gz YSSAYKGWDNKFNW-NRFANRHFSA-N 1 2 408.498 2.974 20 0 HFADLO O=C(CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1)NCC(=O)c1ccccc1 ZINC000791649405 1077511107 /nfs/dbraw/zinc/51/11/07/1077511107.db2.gz YSSAYKGWDNKFNW-NRFANRHFSA-N 1 2 408.498 2.974 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)C1=O ZINC000789425830 1077555140 /nfs/dbraw/zinc/55/51/40/1077555140.db2.gz QUIXKASFFSMZJL-JTSKRJEESA-N 1 2 406.571 2.565 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)C1=O ZINC000789425830 1077555144 /nfs/dbraw/zinc/55/51/44/1077555144.db2.gz QUIXKASFFSMZJL-JTSKRJEESA-N 1 2 406.571 2.565 20 0 HFADLO CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000746813233 1077555528 /nfs/dbraw/zinc/55/55/28/1077555528.db2.gz OHFXXCAGFWZVTA-DHZHZOJOSA-N 1 2 420.469 2.516 20 0 HFADLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521922 1077616532 /nfs/dbraw/zinc/61/65/32/1077616532.db2.gz OEWLDFFGUQDBHX-DNVCBOLYSA-N 1 2 412.465 2.595 20 0 HFADLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521922 1077616535 /nfs/dbraw/zinc/61/65/35/1077616535.db2.gz OEWLDFFGUQDBHX-DNVCBOLYSA-N 1 2 412.465 2.595 20 0 HFADLO CC(C)(C)OC(=O)N1CCN2C(=O)N(C[NH+]3CCC(CC(F)(F)F)CC3)C[C@@H]2C1 ZINC000789527382 1077624058 /nfs/dbraw/zinc/62/40/58/1077624058.db2.gz JJXXDHTYMLKADM-HNNXBMFYSA-N 1 2 420.476 2.965 20 0 HFADLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000789528804 1077624302 /nfs/dbraw/zinc/62/43/02/1077624302.db2.gz IPGPEKSJBHHUIR-DENIHFKCSA-N 1 2 409.530 2.611 20 0 HFADLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000789528804 1077624305 /nfs/dbraw/zinc/62/43/05/1077624305.db2.gz IPGPEKSJBHHUIR-DENIHFKCSA-N 1 2 409.530 2.611 20 0 HFADLO CCc1cc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)c2c(CC(C)(C)C)noc2n1 ZINC001170110838 1077628790 /nfs/dbraw/zinc/62/87/90/1077628790.db2.gz AARSZJJZLRTLPQ-SFHVURJKSA-N 1 2 410.522 2.894 20 0 HFADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC000791957065 1077630602 /nfs/dbraw/zinc/63/06/02/1077630602.db2.gz NNPUPJMVTBNJEO-NRFANRHFSA-N 1 2 424.545 2.757 20 0 HFADLO CCCc1csc(NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)n1 ZINC000789551203 1077640496 /nfs/dbraw/zinc/64/04/96/1077640496.db2.gz XAVCQBYANJLYHF-UHFFFAOYSA-N 1 2 415.563 2.885 20 0 HFADLO Cn1cc([C@H]2CN(C(=O)c3nc4ccccc4cc3Br)CC[NH2+]2)cn1 ZINC001170111543 1077669810 /nfs/dbraw/zinc/66/98/10/1077669810.db2.gz HECLUDHTJLNTSB-MRXNPFEDSA-N 1 2 400.280 2.518 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Oc2ccc(N3CCCC3=O)cc2)CC1 ZINC000792034313 1077685771 /nfs/dbraw/zinc/68/57/71/1077685771.db2.gz FFTBQTAYLUYGED-UHFFFAOYSA-N 1 2 417.506 2.662 20 0 HFADLO Cc1ccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)cc1OCCC(C)C ZINC000789598675 1077703543 /nfs/dbraw/zinc/70/35/43/1077703543.db2.gz AUYYAYRXEORQDC-UHFFFAOYSA-N 1 2 406.874 2.726 20 0 HFADLO Cc1c(CSC(C)C)cccc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000789598720 1077703593 /nfs/dbraw/zinc/70/35/93/1077703593.db2.gz CMAVFPKNESNVGF-UHFFFAOYSA-N 1 2 408.915 2.943 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)[nH+]1 ZINC000789600956 1077704335 /nfs/dbraw/zinc/70/43/35/1077704335.db2.gz JGNXSGBLJZUMMK-UHFFFAOYSA-N 1 2 420.804 2.647 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)C2)c1 ZINC000792082580 1077707029 /nfs/dbraw/zinc/70/70/29/1077707029.db2.gz TYZRNAXGGVITBG-RBUKOAKNSA-N 1 2 400.479 2.624 20 0 HFADLO CC(C)(C)OC(=O)NC[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(F)cc1 ZINC000792138080 1077719751 /nfs/dbraw/zinc/71/97/51/1077719751.db2.gz NOIYBESWWSYMNI-GOSISDBHSA-N 1 2 423.529 2.661 20 0 HFADLO CC(C)(C)OC(=O)NC[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(F)cc1 ZINC000792138080 1077719755 /nfs/dbraw/zinc/71/97/55/1077719755.db2.gz NOIYBESWWSYMNI-GOSISDBHSA-N 1 2 423.529 2.661 20 0 HFADLO Nc1cc(COC(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)cc[nH+]1 ZINC000792187037 1077738597 /nfs/dbraw/zinc/73/85/97/1077738597.db2.gz SCZIPDVHSGZOPB-OAHLLOKOSA-N 1 2 404.264 2.661 20 0 HFADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000789757462 1077762879 /nfs/dbraw/zinc/76/28/79/1077762879.db2.gz WNWNBFGRFMZTPT-KRWDZBQOSA-N 1 2 412.509 2.893 20 0 HFADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789769958 1077770928 /nfs/dbraw/zinc/77/09/28/1077770928.db2.gz PVJRKVKOLZTVID-HXUWFJFHSA-N 1 2 401.898 2.625 20 0 HFADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789769958 1077770940 /nfs/dbraw/zinc/77/09/40/1077770940.db2.gz PVJRKVKOLZTVID-HXUWFJFHSA-N 1 2 401.898 2.625 20 0 HFADLO CCn1nc(C)c(S(=O)(=O)Nc2cccc(C(=O)OCC[NH+](CC)CC)c2)c1C ZINC000789750446 1077781414 /nfs/dbraw/zinc/78/14/14/1077781414.db2.gz RMKAXWSJHHKROG-UHFFFAOYSA-N 1 2 422.551 2.819 20 0 HFADLO CC(C)(C)[C@H]1CCc2nc(NC(=O)C(=O)Nc3nc(Cl)cc(NN)[nH+]3)sc2C1 ZINC000789779908 1077789451 /nfs/dbraw/zinc/78/94/51/1077789451.db2.gz RLEZXKPOJRDOJK-QMMMGPOBSA-N 1 2 423.930 2.600 20 0 HFADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000792333989 1077822883 /nfs/dbraw/zinc/82/28/83/1077822883.db2.gz YJYLMGOVUPFYOB-UHFFFAOYSA-N 1 2 415.469 2.836 20 0 HFADLO CCn1c(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH]c1=S ZINC000792496174 1077866934 /nfs/dbraw/zinc/86/69/34/1077866934.db2.gz RTKIKTQTTHEOKF-QGZVFWFLSA-N 1 2 422.554 2.957 20 0 HFADLO CCn1c(=O)c2ccc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH]c1=S ZINC000792496174 1077866939 /nfs/dbraw/zinc/86/69/39/1077866939.db2.gz RTKIKTQTTHEOKF-QGZVFWFLSA-N 1 2 422.554 2.957 20 0 HFADLO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ncc2c(n1)-c1ccccc1OC2 ZINC001170167100 1077869862 /nfs/dbraw/zinc/86/98/62/1077869862.db2.gz VXUGNPNHEJGWFV-UHFFFAOYSA-N 1 2 402.458 2.904 20 0 HFADLO C[C@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1nnnn1C1CC1 ZINC000792472835 1077872520 /nfs/dbraw/zinc/87/25/20/1077872520.db2.gz IBOIQITZRLAMSS-LBPRGKRZSA-N 1 2 408.428 2.869 20 0 HFADLO Cc1sc(CC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nc1C(C)C ZINC000789978530 1077880169 /nfs/dbraw/zinc/88/01/69/1077880169.db2.gz FBYVVOGGTAMIMJ-HNNXBMFYSA-N 1 2 410.584 2.785 20 0 HFADLO Cc1sc(CC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nc1C(C)C ZINC000789978530 1077880175 /nfs/dbraw/zinc/88/01/75/1077880175.db2.gz FBYVVOGGTAMIMJ-HNNXBMFYSA-N 1 2 410.584 2.785 20 0 HFADLO C[N@@H+]1CCN(C(=O)c2cccc3c2OCC3(C)C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000789978949 1077881185 /nfs/dbraw/zinc/88/11/85/1077881185.db2.gz HHLSKKRZUFYYSS-HNNXBMFYSA-N 1 2 403.523 2.638 20 0 HFADLO C[N@H+]1CCN(C(=O)c2cccc3c2OCC3(C)C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000789978949 1077881193 /nfs/dbraw/zinc/88/11/93/1077881193.db2.gz HHLSKKRZUFYYSS-HNNXBMFYSA-N 1 2 403.523 2.638 20 0 HFADLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCCOc1ccc(C(C)C)cc1 ZINC001170216145 1077909313 /nfs/dbraw/zinc/90/93/13/1077909313.db2.gz JWPGXEUQXWXYFX-IBGZPJMESA-N 1 2 405.539 2.906 20 0 HFADLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCCOc1ccc(C(C)C)cc1 ZINC001170216145 1077909314 /nfs/dbraw/zinc/90/93/14/1077909314.db2.gz JWPGXEUQXWXYFX-IBGZPJMESA-N 1 2 405.539 2.906 20 0 HFADLO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)CC1(CS(C)(=O)=O)CC1 ZINC001170245187 1077916006 /nfs/dbraw/zinc/91/60/06/1077916006.db2.gz VQEHVEVBXJMMKR-UHFFFAOYSA-N 1 2 410.580 2.881 20 0 HFADLO CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)CC1(CS(C)(=O)=O)CC1 ZINC001170245187 1077916008 /nfs/dbraw/zinc/91/60/08/1077916008.db2.gz VQEHVEVBXJMMKR-UHFFFAOYSA-N 1 2 410.580 2.881 20 0 HFADLO CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001170257442 1077919917 /nfs/dbraw/zinc/91/99/17/1077919917.db2.gz BGFUAXMWNXSKNL-AWEZNQCLSA-N 1 2 419.572 2.913 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000790133075 1077953138 /nfs/dbraw/zinc/95/31/38/1077953138.db2.gz UDKXNBYCXSHNQB-INIZCTEOSA-N 1 2 403.523 2.777 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000790134352 1077953412 /nfs/dbraw/zinc/95/34/12/1077953412.db2.gz BPAMVZKWHDNSAQ-IEBWSBKVSA-N 1 2 405.539 2.822 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000790137833 1077954056 /nfs/dbraw/zinc/95/40/56/1077954056.db2.gz WYYJKRKQXIVSEZ-PXNSSMCTSA-N 1 2 417.550 2.700 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)cc2C1 ZINC000790159064 1077962208 /nfs/dbraw/zinc/96/22/08/1077962208.db2.gz QVNHWXIODXNUOS-GOSISDBHSA-N 1 2 408.285 2.509 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)cc2C1 ZINC000790159064 1077962211 /nfs/dbraw/zinc/96/22/11/1077962211.db2.gz QVNHWXIODXNUOS-GOSISDBHSA-N 1 2 408.285 2.509 20 0 HFADLO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](Nc2ccc(NC)[nH+]c2)C1 ZINC001170376826 1077962527 /nfs/dbraw/zinc/96/25/27/1077962527.db2.gz PMBYFIUMKWAMLH-QKNQBKEWSA-N 1 2 418.538 2.876 20 0 HFADLO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3nc(Br)cs3)n2)c1C ZINC000790162545 1077963454 /nfs/dbraw/zinc/96/34/54/1077963454.db2.gz SDLVPGBXHAXVLD-UHFFFAOYSA-N 1 2 423.296 2.818 20 0 HFADLO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(=O)OC ZINC001170413752 1077967332 /nfs/dbraw/zinc/96/73/32/1077967332.db2.gz WPKWAYZUVMLAMZ-HOTGVXAUSA-N 1 2 408.495 2.782 20 0 HFADLO Cn1c(=O)c2ccc(C(=O)Nc3cccc4c3OCC[C@H]4[NH+](C)C)cc2[nH]c1=S ZINC000790237453 1077973895 /nfs/dbraw/zinc/97/38/95/1077973895.db2.gz MKEFLRAGZAUBRL-QGZVFWFLSA-N 1 2 410.499 2.860 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000790253662 1077977538 /nfs/dbraw/zinc/97/75/38/1077977538.db2.gz JQYBYNCLGIWLFD-KRWDZBQOSA-N 1 2 400.429 2.801 20 0 HFADLO Cc1cc[nH+]c(N2CCN(Cn3c(=O)oc4cc(F)c(Br)cc43)CC2)c1 ZINC000792709347 1077979915 /nfs/dbraw/zinc/97/99/15/1077979915.db2.gz QKTVYPKJJHDQLR-UHFFFAOYSA-N 1 2 421.270 2.979 20 0 HFADLO CC1([C@@H]2CCC[N@H+](Cn3c(=O)oc4cc(F)c(Br)cc43)C2)OCCO1 ZINC000792709898 1077980120 /nfs/dbraw/zinc/98/01/20/1077980120.db2.gz UOQOMTYSDXQRFF-LLVKDONJSA-N 1 2 415.259 2.929 20 0 HFADLO CC1([C@@H]2CCC[N@@H+](Cn3c(=O)oc4cc(F)c(Br)cc43)C2)OCCO1 ZINC000792709898 1077980122 /nfs/dbraw/zinc/98/01/22/1077980122.db2.gz UOQOMTYSDXQRFF-LLVKDONJSA-N 1 2 415.259 2.929 20 0 HFADLO C[C@@]1(NC(=O)NCCCNc2cccc[nH+]2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792855330 1078015224 /nfs/dbraw/zinc/01/52/24/1078015224.db2.gz QOBDKUKPAUHPDD-JOCHJYFZSA-N 1 2 411.506 2.984 20 0 HFADLO C[C@@]1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCN(C(=O)OCc2ccccc2)C1 ZINC000792994447 1078043203 /nfs/dbraw/zinc/04/32/03/1078043203.db2.gz FJFDXMQSRJGNDS-HSZRJFAPSA-N 1 2 410.518 2.927 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F ZINC000806219937 1079504735 /nfs/dbraw/zinc/50/47/35/1079504735.db2.gz QMGDQOWNPFZDNQ-ZFWWWQNUSA-N 1 2 424.427 2.613 20 0 HFADLO CCCCOCCCNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806286691 1079537744 /nfs/dbraw/zinc/53/77/44/1079537744.db2.gz HONALDTXUQQEAD-GOSISDBHSA-N 1 2 412.575 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCCCc3ccccc3)CC2)C1 ZINC000806284334 1079547549 /nfs/dbraw/zinc/54/75/49/1079547549.db2.gz CRGUGCONYINTHL-HXUWFJFHSA-N 1 2 416.566 2.956 20 0 HFADLO CC(C)n1cc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000806319809 1079591307 /nfs/dbraw/zinc/59/13/07/1079591307.db2.gz NFGDWDLIVRAPIL-QGZVFWFLSA-N 1 2 406.531 2.623 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3cccc(Cl)n3)C2)CC1 ZINC000806336793 1079608935 /nfs/dbraw/zinc/60/89/35/1079608935.db2.gz YNWJSDGRVKXNML-CQSZACIVSA-N 1 2 409.918 2.894 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccc(C4CC4)nn3)C2)CC1 ZINC000806352606 1079624915 /nfs/dbraw/zinc/62/49/15/1079624915.db2.gz UPBLDMBTOFLIPW-MRXNPFEDSA-N 1 2 416.526 2.513 20 0 HFADLO COc1ccc(F)cc1NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806382406 1079632354 /nfs/dbraw/zinc/63/23/54/1079632354.db2.gz KMEGEFKBCNEFQY-INIZCTEOSA-N 1 2 422.501 2.993 20 0 HFADLO COc1ccc(C)nc1NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806424988 1079669208 /nfs/dbraw/zinc/66/92/08/1079669208.db2.gz QOPIGNGFIDOKRS-MRXNPFEDSA-N 1 2 419.526 2.558 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806490311 1079739654 /nfs/dbraw/zinc/73/96/54/1079739654.db2.gz FKDVYNGZJUWCDG-SJORKVTESA-N 1 2 402.861 2.701 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806490311 1079739664 /nfs/dbraw/zinc/73/96/64/1079739664.db2.gz FKDVYNGZJUWCDG-SJORKVTESA-N 1 2 402.861 2.701 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)c2ccc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000806532937 1079805793 /nfs/dbraw/zinc/80/57/93/1079805793.db2.gz ZJZPGSKSHZEQOS-UUWFMWQGSA-N 1 2 406.889 2.936 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)c2ccc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000806532937 1079805810 /nfs/dbraw/zinc/80/58/10/1079805810.db2.gz ZJZPGSKSHZEQOS-UUWFMWQGSA-N 1 2 406.889 2.936 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000806532935 1079805979 /nfs/dbraw/zinc/80/59/79/1079805979.db2.gz ZJZPGSKSHZEQOS-IGNZVWTISA-N 1 2 406.889 2.936 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000806532935 1079805985 /nfs/dbraw/zinc/80/59/85/1079805985.db2.gz ZJZPGSKSHZEQOS-IGNZVWTISA-N 1 2 406.889 2.936 20 0 HFADLO Cc1csc([C@H](C)NC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000806715406 1079941700 /nfs/dbraw/zinc/94/17/00/1079941700.db2.gz GVZXEICEENWQQU-JKSUJKDBSA-N 1 2 423.583 2.849 20 0 HFADLO C[C@H]1CC[C@H](c2ccccc2)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000806778151 1079995442 /nfs/dbraw/zinc/99/54/42/1079995442.db2.gz ZHUGRRZVSADMTN-FXAWDEMLSA-N 1 2 407.580 2.678 20 0 HFADLO CCNC(=O)C[C@@H]1CCCCN1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000806868775 1080069280 /nfs/dbraw/zinc/06/92/80/1080069280.db2.gz GSKHBCCCYTUDDQ-NRFANRHFSA-N 1 2 415.582 2.812 20 0 HFADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)CC2)s1 ZINC000806894609 1080100845 /nfs/dbraw/zinc/10/08/45/1080100845.db2.gz CANYLXNOZSHTLO-HNNXBMFYSA-N 1 2 403.470 2.508 20 0 HFADLO CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCOCC1 ZINC000806895694 1080101351 /nfs/dbraw/zinc/10/13/51/1080101351.db2.gz INVLFNMZSPNLQN-RBUKOAKNSA-N 1 2 424.586 2.528 20 0 HFADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000806988082 1080168078 /nfs/dbraw/zinc/16/80/78/1080168078.db2.gz UQKQEHKANSHRNZ-MRXNPFEDSA-N 1 2 416.403 2.985 20 0 HFADLO Cc1ccncc1[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000807066422 1080248390 /nfs/dbraw/zinc/24/83/90/1080248390.db2.gz WUXHIHDKANTQST-ZWKOTPCHSA-N 1 2 417.554 2.788 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)N[C@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000807081035 1080260823 /nfs/dbraw/zinc/26/08/23/1080260823.db2.gz NGAJYFIOELCCBK-IRXDYDNUSA-N 1 2 424.586 2.669 20 0 HFADLO COC(OC)c1ccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000807092126 1080272247 /nfs/dbraw/zinc/27/22/47/1080272247.db2.gz SIWYIJCMVRHFLZ-UHFFFAOYSA-N 1 2 407.898 2.776 20 0 HFADLO C[C@@H]1C[C@H](CCNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCO1 ZINC000807103546 1080282951 /nfs/dbraw/zinc/28/29/51/1080282951.db2.gz NMBIVOWJBLSMRZ-QRVBRYPASA-N 1 2 424.586 2.528 20 0 HFADLO COC1(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCCCC1 ZINC000807137180 1080298433 /nfs/dbraw/zinc/29/84/33/1080298433.db2.gz ZBMMLVBUJRDIQN-GOSISDBHSA-N 1 2 424.586 2.672 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)c(Cl)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807156886 1080313369 /nfs/dbraw/zinc/31/33/69/1080313369.db2.gz MXLSQBYABYGYKG-ZFWWWQNUSA-N 1 2 411.264 2.802 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)c(Cl)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807156886 1080313392 /nfs/dbraw/zinc/31/33/92/1080313392.db2.gz MXLSQBYABYGYKG-ZFWWWQNUSA-N 1 2 411.264 2.802 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000807182917 1080375917 /nfs/dbraw/zinc/37/59/17/1080375917.db2.gz KPOQPQLIENALQV-NZSAHSFTSA-N 1 2 424.586 2.575 20 0 HFADLO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC001170519801 1080405141 /nfs/dbraw/zinc/40/51/41/1080405141.db2.gz SOLSUPDDKWLREP-OAHLLOKOSA-N 1 2 408.458 2.679 20 0 HFADLO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC=C(c2ccccn2)C1 ZINC001170519801 1080405149 /nfs/dbraw/zinc/40/51/49/1080405149.db2.gz SOLSUPDDKWLREP-OAHLLOKOSA-N 1 2 408.458 2.679 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000807280199 1080436996 /nfs/dbraw/zinc/43/69/96/1080436996.db2.gz DNQQGOFRKLCAAS-GOSISDBHSA-N 1 2 413.861 2.940 20 0 HFADLO CCCc1noc2nc(-c3ccco3)cc(C(=O)N[C@H](Cn3cc[nH+]c3)C(=O)OC)c12 ZINC000807282129 1080439825 /nfs/dbraw/zinc/43/98/25/1080439825.db2.gz DWDZLJOOCNKBHD-MRXNPFEDSA-N 1 2 423.429 2.603 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(Oc2ccc(C)cc2)cc1 ZINC000807282608 1080442216 /nfs/dbraw/zinc/44/22/16/1080442216.db2.gz OJWFJVNGDZKCTH-HXUWFJFHSA-N 1 2 409.442 2.721 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000807284168 1080442310 /nfs/dbraw/zinc/44/23/10/1080442310.db2.gz OEPUNUHEANZOGB-AWEZNQCLSA-N 1 2 422.363 2.837 20 0 HFADLO Cc1ccc(NC(=O)C(=O)NCc2ccncc2OCc2ccccc2)c(N(C)C)[nH+]1 ZINC000807293435 1080483508 /nfs/dbraw/zinc/48/35/08/1080483508.db2.gz WYVPDSDWKOOHQE-UHFFFAOYSA-N 1 2 419.485 2.685 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)Cn3cc(Cl)cn3)cc2Br)CC1 ZINC000807363275 1080524273 /nfs/dbraw/zinc/52/42/73/1080524273.db2.gz ZLXSXZOFHVRYIX-UHFFFAOYSA-N 1 2 412.719 2.690 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCCC[C@H]3CCCCO3)C2)CC1 ZINC000805281988 1080570148 /nfs/dbraw/zinc/57/01/48/1080570148.db2.gz IWESRBTZRAAOPO-RBUKOAKNSA-N 1 2 424.586 2.672 20 0 HFADLO C[C@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)Cn1cc[nH+]c1 ZINC000747400112 1080635399 /nfs/dbraw/zinc/63/53/99/1080635399.db2.gz GBXRTTRMZXETSV-VQIMIIECSA-N 1 2 411.506 2.612 20 0 HFADLO COc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)c(C)c1OC ZINC000807522905 1080775555 /nfs/dbraw/zinc/77/55/55/1080775555.db2.gz DHYVWMFZCCBWHR-AWEZNQCLSA-N 1 2 400.479 2.598 20 0 HFADLO COc1ccc(Cn2cc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)nn2)cc1 ZINC001461205931 1126193943 /nfs/dbraw/zinc/19/39/43/1126193943.db2.gz UQLXUBRRYMQCDP-VQTJNVASSA-N 1 2 420.435 2.959 20 0 HFADLO Cn1ncc(Br)c1C[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000225612063 568656774 /nfs/dbraw/zinc/65/67/74/568656774.db2.gz VFVADLLNWDATJM-CYBMUJFWSA-N 1 2 401.667 2.870 20 0 HFADLO Cn1ncc(Br)c1C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000225612092 568656787 /nfs/dbraw/zinc/65/67/87/568656787.db2.gz VFVADLLNWDATJM-ZDUSSCGKSA-N 1 2 401.667 2.870 20 0 HFADLO CCOC(=O)[C@@]12CCO[C@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164434840 718973690 /nfs/dbraw/zinc/97/36/90/718973690.db2.gz WCIGXQHLTRJEID-XUZZJYLKSA-N 1 2 422.529 2.583 20 0 HFADLO CCOC(=O)[C@@]12CCO[C@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164434840 718973695 /nfs/dbraw/zinc/97/36/95/718973695.db2.gz WCIGXQHLTRJEID-XUZZJYLKSA-N 1 2 422.529 2.583 20 0 HFADLO NC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674357 719496901 /nfs/dbraw/zinc/49/69/01/719496901.db2.gz VGFVZDCQVYULOL-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO NC(=O)c1cnc(Cl)cc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164674357 719496906 /nfs/dbraw/zinc/49/69/06/719496906.db2.gz VGFVZDCQVYULOL-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO COCCOc1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nn1 ZINC001164673400 719523763 /nfs/dbraw/zinc/52/37/63/719523763.db2.gz RWUAKVKZWJIMNS-UHFFFAOYSA-N 1 2 416.497 2.512 20 0 HFADLO COCCOc1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nn1 ZINC001164673400 719523773 /nfs/dbraw/zinc/52/37/73/719523773.db2.gz RWUAKVKZWJIMNS-UHFFFAOYSA-N 1 2 416.497 2.512 20 0 HFADLO COC[C@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)Cc2cn(C)nc21 ZINC001164699564 719830926 /nfs/dbraw/zinc/83/09/26/719830926.db2.gz XJNLGKZJAVQTCJ-LJQANCHMSA-N 1 2 404.518 2.519 20 0 HFADLO COC[C@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)Cc2cn(C)nc21 ZINC001164699564 719830927 /nfs/dbraw/zinc/83/09/27/719830927.db2.gz XJNLGKZJAVQTCJ-LJQANCHMSA-N 1 2 404.518 2.519 20 0 HFADLO COC[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)Cc2cn(C)nc21 ZINC001164699562 719831068 /nfs/dbraw/zinc/83/10/68/719831068.db2.gz XJNLGKZJAVQTCJ-IBGZPJMESA-N 1 2 404.518 2.519 20 0 HFADLO COC[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)Cc2cn(C)nc21 ZINC001164699562 719831070 /nfs/dbraw/zinc/83/10/70/719831070.db2.gz XJNLGKZJAVQTCJ-IBGZPJMESA-N 1 2 404.518 2.519 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2c(Cl)cccc2n1 ZINC001164701627 719849594 /nfs/dbraw/zinc/84/95/94/719849594.db2.gz MOHKNJIJFGDTNC-XOBRGWDASA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cc(Cl)cnc2n1 ZINC001164704654 719851577 /nfs/dbraw/zinc/85/15/77/719851577.db2.gz SEBVRAPGKLGDJN-OXJNMPFZSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(-c2ccc(F)cc2)n1 ZINC001164707246 719877709 /nfs/dbraw/zinc/87/77/09/719877709.db2.gz RUGMOWUKUNSGHK-GCJKJVERSA-N 1 2 414.481 2.515 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)c(F)cn4)CC3)C2=O)cs1 ZINC001164825638 720363492 /nfs/dbraw/zinc/36/34/92/720363492.db2.gz SFBQCHFNTLBKNW-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)c(F)cn4)CC3)C2=O)cs1 ZINC001164825638 720363498 /nfs/dbraw/zinc/36/34/98/720363498.db2.gz SFBQCHFNTLBKNW-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164731664 720480626 /nfs/dbraw/zinc/48/06/26/720480626.db2.gz XIIUWWZOIVGPMV-OLZOCXBDSA-N 1 2 408.289 2.818 20 0 HFADLO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164731664 720480639 /nfs/dbraw/zinc/48/06/39/720480639.db2.gz XIIUWWZOIVGPMV-OLZOCXBDSA-N 1 2 408.289 2.818 20 0 HFADLO FC(F)(c1ccnc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164768385 721271461 /nfs/dbraw/zinc/27/14/61/721271461.db2.gz UHSFRAIZRGQTOZ-CYBMUJFWSA-N 1 2 406.824 2.982 20 0 HFADLO [O-][n+]1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)cc1Cl ZINC001164768071 721276253 /nfs/dbraw/zinc/27/62/53/721276253.db2.gz JKAONOVARFURDS-AWEZNQCLSA-N 1 2 421.835 2.825 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001164880771 721324253 /nfs/dbraw/zinc/32/42/53/721324253.db2.gz ZBUBRMLCLLDHDQ-POZUXBRTSA-N 1 2 415.925 2.670 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001164880771 721324257 /nfs/dbraw/zinc/32/42/57/721324257.db2.gz ZBUBRMLCLLDHDQ-POZUXBRTSA-N 1 2 415.925 2.670 20 0 HFADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc[nH]c3nc(=S)sc2-3)[C@@H]2CCCO[C@H]12 ZINC001164800288 721574006 /nfs/dbraw/zinc/57/40/06/721574006.db2.gz DOQLUTIXDVLGBT-KFWWJZLASA-N 1 2 414.560 2.638 20 0 HFADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc[nH]c3nc(=S)sc2-3)[C@@H]2CCCO[C@H]12 ZINC001164800288 721574007 /nfs/dbraw/zinc/57/40/07/721574007.db2.gz DOQLUTIXDVLGBT-KFWWJZLASA-N 1 2 414.560 2.638 20 0 HFADLO COC(=O)c1ccc2nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)ccc2c1 ZINC001165010724 721701185 /nfs/dbraw/zinc/70/11/85/721701185.db2.gz KONDWOKDFDRCFI-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO COC(=O)c1ccc2nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)ccc2c1 ZINC001165010724 721701194 /nfs/dbraw/zinc/70/11/94/721701194.db2.gz KONDWOKDFDRCFI-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO CSc1nc2c(c(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)n1)CCCC2 ZINC001165010934 721702743 /nfs/dbraw/zinc/70/27/43/721702743.db2.gz ONPANSFIYFQTBY-UHFFFAOYSA-N 1 2 401.584 2.919 20 0 HFADLO CSc1nc2c(c(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)n1)CCCC2 ZINC001165010934 721702749 /nfs/dbraw/zinc/70/27/49/721702749.db2.gz ONPANSFIYFQTBY-UHFFFAOYSA-N 1 2 401.584 2.919 20 0 HFADLO CS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164907368 721719958 /nfs/dbraw/zinc/71/99/58/721719958.db2.gz RDCCWUFZNDNXBF-LJQANCHMSA-N 1 2 422.501 2.618 20 0 HFADLO CS(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164907368 721719964 /nfs/dbraw/zinc/71/99/64/721719964.db2.gz RDCCWUFZNDNXBF-LJQANCHMSA-N 1 2 422.501 2.618 20 0 HFADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H](OCC5CC5)[C@@H]5COC[C@H]54)c3C2)cc1 ZINC001165014763 721761055 /nfs/dbraw/zinc/76/10/55/721761055.db2.gz ILLASUPCCVFSBZ-MZYLBHOOSA-N 1 2 406.530 2.665 20 0 HFADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H](OCC5CC5)[C@@H]5COC[C@H]54)c3C2)cc1 ZINC001165014763 721761058 /nfs/dbraw/zinc/76/10/58/721761058.db2.gz ILLASUPCCVFSBZ-MZYLBHOOSA-N 1 2 406.530 2.665 20 0 HFADLO c1ccc(-c2nccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910770 721772504 /nfs/dbraw/zinc/77/25/04/721772504.db2.gz CEIRKOCXQYQCHP-DEOSSOPVSA-N 1 2 417.513 2.646 20 0 HFADLO c1ccc(-c2nccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910770 721772512 /nfs/dbraw/zinc/77/25/12/721772512.db2.gz CEIRKOCXQYQCHP-DEOSSOPVSA-N 1 2 417.513 2.646 20 0 HFADLO Fc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164910184 721779571 /nfs/dbraw/zinc/77/95/71/721779571.db2.gz AMZGSDDGOHVMSO-QHCPKHFHSA-N 1 2 408.477 2.877 20 0 HFADLO Fc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164910184 721779575 /nfs/dbraw/zinc/77/95/75/721779575.db2.gz AMZGSDDGOHVMSO-QHCPKHFHSA-N 1 2 408.477 2.877 20 0 HFADLO F[C@@H](c1ccnc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916435 721782597 /nfs/dbraw/zinc/78/25/97/721782597.db2.gz QZAGOJSAHHAOGA-UXHICEINSA-N 1 2 406.889 2.702 20 0 HFADLO F[C@@H](c1ccnc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916435 721782602 /nfs/dbraw/zinc/78/26/02/721782602.db2.gz QZAGOJSAHHAOGA-UXHICEINSA-N 1 2 406.889 2.702 20 0 HFADLO Cc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)o1 ZINC001164915245 721797230 /nfs/dbraw/zinc/79/72/30/721797230.db2.gz URWQAOXMLZDXCV-QHCPKHFHSA-N 1 2 421.501 2.548 20 0 HFADLO Cc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)o1 ZINC001164915245 721797231 /nfs/dbraw/zinc/79/72/31/721797231.db2.gz URWQAOXMLZDXCV-QHCPKHFHSA-N 1 2 421.501 2.548 20 0 HFADLO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917116 721812263 /nfs/dbraw/zinc/81/22/63/721812263.db2.gz KQQQSMFLAIUMBM-UHFFFAOYSA-N 1 2 403.914 2.858 20 0 HFADLO CCCN(CCC)c1cc(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)nc[nH+]1 ZINC001164944741 721951345 /nfs/dbraw/zinc/95/13/45/721951345.db2.gz KOBGPLUGLBVQOX-PMACEKPBSA-N 1 2 414.554 2.797 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cnc1Cl)CC2 ZINC001164944401 721973281 /nfs/dbraw/zinc/97/32/81/721973281.db2.gz IJQCYUYAJDTOJC-UHFFFAOYSA-N 1 2 406.317 2.754 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cnc1Cl)CC2 ZINC001164944401 721973282 /nfs/dbraw/zinc/97/32/82/721973282.db2.gz IJQCYUYAJDTOJC-UHFFFAOYSA-N 1 2 406.317 2.754 20 0 HFADLO CCOC(=O)c1cc(C)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946077 721974354 /nfs/dbraw/zinc/97/43/54/721974354.db2.gz JKYUJJCISRUVED-UHFFFAOYSA-N 1 2 422.529 2.538 20 0 HFADLO CCOC(=O)c1cc(C)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946077 721974356 /nfs/dbraw/zinc/97/43/56/721974356.db2.gz JKYUJJCISRUVED-UHFFFAOYSA-N 1 2 422.529 2.538 20 0 HFADLO CC(C)C(=O)N1CC[N@@H+](C(C)(C)c2ccnc(Cl)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164976859 722088742 /nfs/dbraw/zinc/08/87/42/722088742.db2.gz TYQSYZUUXRYYIH-OAQYLSRUSA-N 1 2 406.958 2.809 20 0 HFADLO CC(C)C(=O)N1CC[N@H+](C(C)(C)c2ccnc(Cl)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164976859 722088744 /nfs/dbraw/zinc/08/87/44/722088744.db2.gz TYQSYZUUXRYYIH-OAQYLSRUSA-N 1 2 406.958 2.809 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)c2nnn(Cc3ccc(F)cc3F)c2C)c1C ZINC000790540266 1078045975 /nfs/dbraw/zinc/04/59/75/1078045975.db2.gz KHKUEKZSHZAWSC-UHFFFAOYSA-N 1 2 401.417 2.863 20 0 HFADLO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3nnnn3C3CC3)C2=O)ccc1Br ZINC000790535778 1078053006 /nfs/dbraw/zinc/05/30/06/1078053006.db2.gz RZCBQULUYLAEBX-BLLLJJGKSA-N 1 2 419.327 2.925 20 0 HFADLO O=C(NC[C@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1)OCc1ccccc1 ZINC000793063047 1078060204 /nfs/dbraw/zinc/06/02/04/1078060204.db2.gz LESKJSUYLNDJDZ-MOPGFXCFSA-N 1 2 411.506 2.546 20 0 HFADLO COc1ccc(Cn2ncc3cc(C(=O)OCCc4c[nH+]cn4C)cnc32)c(OC)c1 ZINC000793249206 1078110327 /nfs/dbraw/zinc/11/03/27/1078110327.db2.gz DYHFJSPOIGCHCL-UHFFFAOYSA-N 1 2 421.457 2.630 20 0 HFADLO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)OCCc3c[nH+]cn3C)cc2)cc1 ZINC000793251877 1078110850 /nfs/dbraw/zinc/11/08/50/1078110850.db2.gz VCBFICUODRXGBF-UHFFFAOYSA-N 1 2 413.499 2.953 20 0 HFADLO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)OCCc2c[nH+]cn2C)cc1 ZINC000793259967 1078112433 /nfs/dbraw/zinc/11/24/33/1078112433.db2.gz YMWCNEUBAIGPBR-UHFFFAOYSA-N 1 2 405.520 2.773 20 0 HFADLO C[C@@H](CNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)[NH+]1CCN(C)CC1 ZINC000790737883 1078120372 /nfs/dbraw/zinc/12/03/72/1078120372.db2.gz NLFMUHJFXQRAOC-KRWDZBQOSA-N 1 2 404.555 2.718 20 0 HFADLO C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000793332745 1078141065 /nfs/dbraw/zinc/14/10/65/1078141065.db2.gz IWQOIPCZIJPLIU-JENIJYKNSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000793332745 1078141067 /nfs/dbraw/zinc/14/10/67/1078141067.db2.gz IWQOIPCZIJPLIU-JENIJYKNSA-N 1 2 409.571 2.782 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793334212 1078142356 /nfs/dbraw/zinc/14/23/56/1078142356.db2.gz NXRZEFVRRXUARI-CYBMUJFWSA-N 1 2 408.449 2.996 20 0 HFADLO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000793335465 1078142712 /nfs/dbraw/zinc/14/27/12/1078142712.db2.gz UBNHLPZDQBYNPP-OALUTQOASA-N 1 2 423.351 2.992 20 0 HFADLO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000793335465 1078142715 /nfs/dbraw/zinc/14/27/15/1078142715.db2.gz UBNHLPZDQBYNPP-OALUTQOASA-N 1 2 423.351 2.992 20 0 HFADLO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000793335466 1078142944 /nfs/dbraw/zinc/14/29/44/1078142944.db2.gz UBNHLPZDQBYNPP-RBUKOAKNSA-N 1 2 423.351 2.992 20 0 HFADLO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000793335466 1078142947 /nfs/dbraw/zinc/14/29/47/1078142947.db2.gz UBNHLPZDQBYNPP-RBUKOAKNSA-N 1 2 423.351 2.992 20 0 HFADLO CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCCCC1 ZINC000793335487 1078142975 /nfs/dbraw/zinc/14/29/75/1078142975.db2.gz USHVZRORAOXWBE-GOSISDBHSA-N 1 2 409.571 2.974 20 0 HFADLO CC(C)(C)OC(=O)NC1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCCCC1 ZINC000793335487 1078142978 /nfs/dbraw/zinc/14/29/78/1078142978.db2.gz USHVZRORAOXWBE-GOSISDBHSA-N 1 2 409.571 2.974 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(c3cccnc3)=NO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000790817414 1078153669 /nfs/dbraw/zinc/15/36/69/1078153669.db2.gz HGAQZCYPPRCSPF-WDSOQIARSA-N 1 2 402.857 2.929 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(c3cccnc3)=NO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000790817414 1078153671 /nfs/dbraw/zinc/15/36/71/1078153671.db2.gz HGAQZCYPPRCSPF-WDSOQIARSA-N 1 2 402.857 2.929 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000793381452 1078161131 /nfs/dbraw/zinc/16/11/31/1078161131.db2.gz FMZZJKGAUVRORL-ZDUSSCGKSA-N 1 2 405.524 2.953 20 0 HFADLO COCC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793417090 1078176781 /nfs/dbraw/zinc/17/67/81/1078176781.db2.gz QSXBDYBECWZKTA-QGZVFWFLSA-N 1 2 406.527 2.710 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000793416409 1078177086 /nfs/dbraw/zinc/17/70/86/1078177086.db2.gz LPNCUJIBPSLPEC-SLFFLAALSA-N 1 2 419.485 2.639 20 0 HFADLO C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000793483720 1078189664 /nfs/dbraw/zinc/18/96/64/1078189664.db2.gz RVQXZVNLOLGVBT-GBESFXJTSA-N 1 2 409.571 2.735 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000793564399 1078211238 /nfs/dbraw/zinc/21/12/38/1078211238.db2.gz FVRBALPXKJLGIO-UHFFFAOYSA-N 1 2 418.366 2.540 20 0 HFADLO C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000793602490 1078221523 /nfs/dbraw/zinc/22/15/23/1078221523.db2.gz VKWLWJBOUFVALI-KSFYIVLOSA-N 1 2 419.541 2.607 20 0 HFADLO C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000793602490 1078221527 /nfs/dbraw/zinc/22/15/27/1078221527.db2.gz VKWLWJBOUFVALI-KSFYIVLOSA-N 1 2 419.541 2.607 20 0 HFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)NCc1ccc([C@H](C)O)cc1 ZINC000793628880 1078232754 /nfs/dbraw/zinc/23/27/54/1078232754.db2.gz HAGJNUBGKRNPIS-SFHVURJKSA-N 1 2 424.545 2.516 20 0 HFADLO COc1ccc(F)c2[nH]c(C(=O)N3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)cc21 ZINC000793638501 1078237733 /nfs/dbraw/zinc/23/77/33/1078237733.db2.gz NLBCLPLCBYSNIL-ZDUSSCGKSA-N 1 2 420.485 2.597 20 0 HFADLO COc1ccc(F)c2[nH]c(C(=O)N3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)cc21 ZINC000793638501 1078237736 /nfs/dbraw/zinc/23/77/36/1078237736.db2.gz NLBCLPLCBYSNIL-ZDUSSCGKSA-N 1 2 420.485 2.597 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000793664079 1078244540 /nfs/dbraw/zinc/24/45/40/1078244540.db2.gz OKSMDMFGEIPUFT-HRAATJIYSA-N 1 2 415.440 2.974 20 0 HFADLO CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793710437 1078259952 /nfs/dbraw/zinc/25/99/52/1078259952.db2.gz SKWNKPICPPJUOF-ZDPZECHZSA-N 1 2 420.554 2.776 20 0 HFADLO CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793710437 1078259955 /nfs/dbraw/zinc/25/99/55/1078259955.db2.gz SKWNKPICPPJUOF-ZDPZECHZSA-N 1 2 420.554 2.776 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)NC4(CCCCC4)C3=O)CC[C@H]21 ZINC000793712752 1078261459 /nfs/dbraw/zinc/26/14/59/1078261459.db2.gz YQZKQMUSNOWSKF-HZPDHXFCSA-N 1 2 406.527 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)NC4(CCCCC4)C3=O)CC[C@H]21 ZINC000793712752 1078261463 /nfs/dbraw/zinc/26/14/63/1078261463.db2.gz YQZKQMUSNOWSKF-HZPDHXFCSA-N 1 2 406.527 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CN3C(=O)NC4(CCCCC4)C3=O)CC[C@@H]21 ZINC000793712748 1078261537 /nfs/dbraw/zinc/26/15/37/1078261537.db2.gz YQZKQMUSNOWSKF-HOTGVXAUSA-N 1 2 406.527 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CN3C(=O)NC4(CCCCC4)C3=O)CC[C@@H]21 ZINC000793712748 1078261542 /nfs/dbraw/zinc/26/15/42/1078261542.db2.gz YQZKQMUSNOWSKF-HOTGVXAUSA-N 1 2 406.527 2.530 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc3c(c2)C[C@@H](OC)C3)[C@@H]1c1c[nH+]cn1C ZINC000793807244 1078305536 /nfs/dbraw/zinc/30/55/36/1078305536.db2.gz FPQBRVPDRMDQNR-NNMXDRDESA-N 1 2 410.518 2.862 20 0 HFADLO CC[C@H]1CC[N@@H+]1CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O ZINC000793821298 1078317263 /nfs/dbraw/zinc/31/72/63/1078317263.db2.gz ONOGTVNGEZBZMB-SFHVURJKSA-N 1 2 409.486 2.941 20 0 HFADLO CC[C@H]1CC[N@H+]1CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O ZINC000793821298 1078317265 /nfs/dbraw/zinc/31/72/65/1078317265.db2.gz ONOGTVNGEZBZMB-SFHVURJKSA-N 1 2 409.486 2.941 20 0 HFADLO CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000793863518 1078326773 /nfs/dbraw/zinc/32/67/73/1078326773.db2.gz SZBVAPUADHABLU-JSGCOSHPSA-N 1 2 408.449 2.996 20 0 HFADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@H](O)C[C@H](O)c2ccccc2)c1 ZINC001170441987 1078369182 /nfs/dbraw/zinc/36/91/82/1078369182.db2.gz CABILLPYMJOOHW-XPGWFJOJSA-N 1 2 424.335 2.908 20 0 HFADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@H](O)C[C@H](O)c2ccccc2)c1 ZINC001170441987 1078369186 /nfs/dbraw/zinc/36/91/86/1078369186.db2.gz CABILLPYMJOOHW-XPGWFJOJSA-N 1 2 424.335 2.908 20 0 HFADLO O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NCC[N@H+]1CC=CCC1 ZINC000794120284 1078374449 /nfs/dbraw/zinc/37/44/49/1078374449.db2.gz ZDWWAPDFFMJYFP-UHFFFAOYSA-N 1 2 400.548 2.624 20 0 HFADLO O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NCC[N@@H+]1CC=CCC1 ZINC000794120284 1078374453 /nfs/dbraw/zinc/37/44/53/1078374453.db2.gz ZDWWAPDFFMJYFP-UHFFFAOYSA-N 1 2 400.548 2.624 20 0 HFADLO CC(C)(C)OC(=O)N1CC=C(CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000794181461 1078382030 /nfs/dbraw/zinc/38/20/30/1078382030.db2.gz MELXDFCGHLZOJS-IBGZPJMESA-N 1 2 407.555 2.703 20 0 HFADLO CC(C)(C)OC(=O)N1CC=C(CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000794181461 1078382033 /nfs/dbraw/zinc/38/20/33/1078382033.db2.gz MELXDFCGHLZOJS-IBGZPJMESA-N 1 2 407.555 2.703 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804435420 1078478142 /nfs/dbraw/zinc/47/81/42/1078478142.db2.gz DKSZQCCNCHYCFG-UHOSZYNNSA-N 1 2 403.523 2.574 20 0 HFADLO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000804438188 1078483188 /nfs/dbraw/zinc/48/31/88/1078483188.db2.gz LGVZPUNBKMGHAO-HOJAQTOUSA-N 1 2 417.550 2.882 20 0 HFADLO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804438201 1078483195 /nfs/dbraw/zinc/48/31/95/1078483195.db2.gz LKVMTPXNWSMEGQ-CRAIPNDOSA-N 1 2 402.926 2.828 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1CSC1=NCCS1 ZINC000804439920 1078504752 /nfs/dbraw/zinc/50/47/52/1078504752.db2.gz NHTYOCKMISEIMJ-RDJZCZTQSA-N 1 2 405.589 2.958 20 0 HFADLO O=C(Cc1ccc(OC(F)F)cc1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000804691240 1078531067 /nfs/dbraw/zinc/53/10/67/1078531067.db2.gz RNZGTIZLILUTDM-UHFFFAOYSA-N 1 2 424.469 2.780 20 0 HFADLO CN(C[C@@H]1C[C@H](F)CN1c1cc(N2CCSCC2)[nH+]cn1)C(=O)OC(C)(C)C ZINC000804705350 1078571937 /nfs/dbraw/zinc/57/19/37/1078571937.db2.gz UQVQQDNYJNVACO-GJZGRUSLSA-N 1 2 411.547 2.814 20 0 HFADLO CN(C[C@@H]1C[C@H](F)CN1c1cc(N2CCSCC2)nc[nH+]1)C(=O)OC(C)(C)C ZINC000804705350 1078571947 /nfs/dbraw/zinc/57/19/47/1078571947.db2.gz UQVQQDNYJNVACO-GJZGRUSLSA-N 1 2 411.547 2.814 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC(=O)[C@@H]2C[C@@H]2F)CC1 ZINC001129624049 1078598345 /nfs/dbraw/zinc/59/83/45/1078598345.db2.gz ZYVRXDWUQIKRGA-CVEARBPZSA-N 1 2 407.486 2.915 20 0 HFADLO Cc1nc2cccc(C(=O)N3CC[C@@H]([NH+]4CCN(C(=O)OC(C)(C)C)CC4)C3)c2[nH]1 ZINC000804760462 1078609114 /nfs/dbraw/zinc/60/91/14/1078609114.db2.gz KYGUAFZHZMKFSY-MRXNPFEDSA-N 1 2 413.522 2.639 20 0 HFADLO Cc1ccc(/C=C\C(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000804760912 1078612623 /nfs/dbraw/zinc/61/26/23/1078612623.db2.gz RDCIBLHGPFNCPR-FQQSSWHASA-N 1 2 400.523 2.557 20 0 HFADLO CC(C)[C@H](C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccnc1 ZINC000804760789 1078613065 /nfs/dbraw/zinc/61/30/65/1078613065.db2.gz OQWZXGSJCIUVKL-PMACEKPBSA-N 1 2 416.566 2.975 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Cc3cnc4ccccc4c3)C2)CC1 ZINC000804763402 1078615746 /nfs/dbraw/zinc/61/57/46/1078615746.db2.gz YOUPVMYMDKGBJW-FQEVSTJZSA-N 1 2 424.545 2.931 20 0 HFADLO Cc1cccc(C)c1NCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804762786 1078617792 /nfs/dbraw/zinc/61/77/92/1078617792.db2.gz KJSDQQSWKYXBGC-IBGZPJMESA-N 1 2 416.566 2.869 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C\c3ccc(O)cc3)C2)CC1 ZINC000804763910 1078621075 /nfs/dbraw/zinc/62/10/75/1078621075.db2.gz MSWRQEHSHDWYIN-OTIVFRFGSA-N 1 2 401.507 2.559 20 0 HFADLO Cc1ccncc1/C=C/C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804764999 1078622157 /nfs/dbraw/zinc/62/21/57/1078622157.db2.gz RDSSSUPTVPVPHC-UEKDZROGSA-N 1 2 400.523 2.557 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2nc(C3CCOCC3)cs2)CC1 ZINC000804818071 1078660141 /nfs/dbraw/zinc/66/01/41/1078660141.db2.gz MMNVOFBVMTUKOP-UHFFFAOYSA-N 1 2 424.567 2.918 20 0 HFADLO CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC001129714064 1078669080 /nfs/dbraw/zinc/66/90/80/1078669080.db2.gz KXODLYSVBJBHDD-UHFFFAOYSA-N 1 2 405.520 2.668 20 0 HFADLO COc1ccc(-c2nc(C)sc2CC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001129726347 1078676454 /nfs/dbraw/zinc/67/64/54/1078676454.db2.gz BGMZUAZVMJUTQQ-UHFFFAOYSA-N 1 2 403.548 2.897 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCCc3cccc(F)c3)C2)CC1 ZINC000804873028 1078695388 /nfs/dbraw/zinc/69/53/88/1078695388.db2.gz ZWSVFWQJCCDNSZ-LJQANCHMSA-N 1 2 420.529 2.705 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCCc4occc43)C2)CC1 ZINC000804907077 1078730472 /nfs/dbraw/zinc/73/04/72/1078730472.db2.gz WBEIFPZEQHPOLI-SJLPKXTDSA-N 1 2 418.538 2.994 20 0 HFADLO COc1c(C)c[nH+]c(CN2C(=O)c3ccc(Br)cc3S2(=O)=O)c1C ZINC000804922353 1078744015 /nfs/dbraw/zinc/74/40/15/1078744015.db2.gz YIAMBXPHBFVYBH-UHFFFAOYSA-N 1 2 411.277 2.814 20 0 HFADLO CC(=O)OCCCS(=O)(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000804951741 1078779000 /nfs/dbraw/zinc/77/90/00/1078779000.db2.gz XRNNESKHHKJVJF-IBGZPJMESA-N 1 2 422.572 2.720 20 0 HFADLO CC(=O)OCCCS(=O)(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000804951741 1078779002 /nfs/dbraw/zinc/77/90/02/1078779002.db2.gz XRNNESKHHKJVJF-IBGZPJMESA-N 1 2 422.572 2.720 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3ccc(Cl)nc3)C2)CC1 ZINC000804934298 1078790028 /nfs/dbraw/zinc/79/00/28/1078790028.db2.gz SCBSCOYKWJYDSO-INIZCTEOSA-N 1 2 423.945 2.572 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(Br)cc1F ZINC000805102040 1078887401 /nfs/dbraw/zinc/88/74/01/1078887401.db2.gz KCDRZUDECXGZKA-DOMZBBRYSA-N 1 2 400.292 2.593 20 0 HFADLO COC(C)(C)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805153383 1078948867 /nfs/dbraw/zinc/94/88/67/1078948867.db2.gz MZVKIAQRAXFIKX-IAGOWNOFSA-N 1 2 412.575 2.527 20 0 HFADLO Cc1nc(C)c(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC000805154111 1078947914 /nfs/dbraw/zinc/94/79/14/1078947914.db2.gz HNMOAUPFELQWHE-INIZCTEOSA-N 1 2 423.583 2.597 20 0 HFADLO Cc1nc(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)sc1C ZINC000805164443 1078955393 /nfs/dbraw/zinc/95/53/93/1078955393.db2.gz WZRZQGPBWDVWJW-MRXNPFEDSA-N 1 2 423.583 2.597 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCCCC(F)(F)F)C2)CC1 ZINC000805164293 1078955398 /nfs/dbraw/zinc/95/53/98/1078955398.db2.gz OBMYJMJIHYMSHY-CQSZACIVSA-N 1 2 408.465 2.666 20 0 HFADLO CCC(CC)(CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000805166535 1078956096 /nfs/dbraw/zinc/95/60/96/1078956096.db2.gz NRHLLWJXIRXAAO-IRXDYDNUSA-N 1 2 412.575 2.575 20 0 HFADLO O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000805226637 1078972727 /nfs/dbraw/zinc/97/27/27/1078972727.db2.gz IOOJFGMWSONERH-RTBURBONSA-N 1 2 415.538 2.893 20 0 HFADLO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H]1C(=O)OC(C)(C)C ZINC001130142416 1079013762 /nfs/dbraw/zinc/01/37/62/1079013762.db2.gz DMUIQXNYSFYVPF-APWZRJJASA-N 1 2 404.555 2.601 20 0 HFADLO CCc1ccc([C@H](NC(=O)COC(=O)[C@H]2C[N@H+](CC)CCO2)c2cccs2)cc1 ZINC000805479106 1079093120 /nfs/dbraw/zinc/09/31/20/1079093120.db2.gz JRWJDODKXZKDDU-NQIIRXRSSA-N 1 2 416.543 2.780 20 0 HFADLO CCc1ccc([C@H](NC(=O)COC(=O)[C@H]2C[N@@H+](CC)CCO2)c2cccs2)cc1 ZINC000805479106 1079093125 /nfs/dbraw/zinc/09/31/25/1079093125.db2.gz JRWJDODKXZKDDU-NQIIRXRSSA-N 1 2 416.543 2.780 20 0 HFADLO COc1ccc(NC(=O)c2nnc(COC(=O)C(C)(C)[NH+]3CCCC3)s2)cc1 ZINC000805613478 1079175204 /nfs/dbraw/zinc/17/52/04/1079175204.db2.gz PZXSHKIVZNSNKK-UHFFFAOYSA-N 1 2 404.492 2.717 20 0 HFADLO CC[C@H](NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccncc1 ZINC000805738811 1079243045 /nfs/dbraw/zinc/24/30/45/1079243045.db2.gz KZUGVUXLZGBLEB-NRFANRHFSA-N 1 2 409.534 2.500 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c(Cl)cc1Cl ZINC000747268194 1079259286 /nfs/dbraw/zinc/25/92/86/1079259286.db2.gz BIFPEIBONWGNNI-UHFFFAOYSA-N 1 2 407.319 2.639 20 0 HFADLO O=C1OCC[C@H]1CC[N@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000805822829 1079293773 /nfs/dbraw/zinc/29/37/73/1079293773.db2.gz XFVMJUITWKWZCJ-CQSZACIVSA-N 1 2 417.369 2.598 20 0 HFADLO O=C1OCC[C@H]1CC[N@@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000805822829 1079293779 /nfs/dbraw/zinc/29/37/79/1079293779.db2.gz XFVMJUITWKWZCJ-CQSZACIVSA-N 1 2 417.369 2.598 20 0 HFADLO Cc1nc(C[NH+]2CCC(C(=O)O[C@@H](C)C(=O)NCCc3ccccc3)CC2)cs1 ZINC000805962092 1079378244 /nfs/dbraw/zinc/37/82/44/1079378244.db2.gz MUSLYATZMUBFLZ-INIZCTEOSA-N 1 2 415.559 2.954 20 0 HFADLO C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)[C@@H](C)C1 ZINC000806192398 1079483107 /nfs/dbraw/zinc/48/31/07/1079483107.db2.gz SUEOFEQWVBGSAJ-WWMYMODYSA-N 1 2 400.567 2.779 20 0 HFADLO CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787350857 1076791014 /nfs/dbraw/zinc/79/10/14/1076791014.db2.gz AYBYVGHRBJVGSK-LJQANCHMSA-N 1 2 405.539 2.828 20 0 HFADLO CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787350857 1076791019 /nfs/dbraw/zinc/79/10/19/1076791019.db2.gz AYBYVGHRBJVGSK-LJQANCHMSA-N 1 2 405.539 2.828 20 0 HFADLO COCCN1CCC[N@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1=O ZINC000787440622 1076811905 /nfs/dbraw/zinc/81/19/05/1076811905.db2.gz LBTRWBVYYHFCCA-UHFFFAOYSA-N 1 2 403.523 2.665 20 0 HFADLO COCCN1CCC[N@@H+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1=O ZINC000787440622 1076811909 /nfs/dbraw/zinc/81/19/09/1076811909.db2.gz LBTRWBVYYHFCCA-UHFFFAOYSA-N 1 2 403.523 2.665 20 0 HFADLO C[C@@H](C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000787664834 1076903881 /nfs/dbraw/zinc/90/38/81/1076903881.db2.gz HNDMTVZGWNOGRR-FQEVSTJZSA-N 1 2 407.558 2.800 20 0 HFADLO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c(C)nn1 ZINC000787668221 1076904682 /nfs/dbraw/zinc/90/46/82/1076904682.db2.gz GEOTVEZBRCFYHW-UHFFFAOYSA-N 1 2 404.312 2.860 20 0 HFADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)Nc3cc(C)cnc3Cl)CC2)c1 ZINC000787883599 1076976144 /nfs/dbraw/zinc/97/61/44/1076976144.db2.gz KMLMZWNDTPNMOS-HNNXBMFYSA-N 1 2 416.909 2.896 20 0 HFADLO CC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787883536 1076976153 /nfs/dbraw/zinc/97/61/53/1076976153.db2.gz YJBQDHQIDZELAW-HNNXBMFYSA-N 1 2 423.355 2.540 20 0 HFADLO CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000788004641 1077025920 /nfs/dbraw/zinc/02/59/20/1077025920.db2.gz XLOQVSPKQMTNBV-INIZCTEOSA-N 1 2 421.538 2.764 20 0 HFADLO CCCC(=O)Nc1ccc(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000788013653 1077028385 /nfs/dbraw/zinc/02/83/85/1077028385.db2.gz IDZLETCWZZSOOL-UHFFFAOYSA-N 1 2 419.485 2.544 20 0 HFADLO CC(C)(C)OC(=O)NC/C=C/CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000788027158 1077034668 /nfs/dbraw/zinc/03/46/68/1077034668.db2.gz SZYBDALLKCMPKX-AATRIKPKSA-N 1 2 403.527 2.952 20 0 HFADLO CN(CCCn1cc[nH+]c1)CN1C(=O)C(=O)c2c1ccc(Br)c2Cl ZINC000788045163 1077039758 /nfs/dbraw/zinc/03/97/58/1077039758.db2.gz CSBUKMUTVJNFSN-UHFFFAOYSA-N 1 2 411.687 2.808 20 0 HFADLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000788146279 1077064872 /nfs/dbraw/zinc/06/48/72/1077064872.db2.gz AKIFHHANBVLBCD-LJQANCHMSA-N 1 2 408.531 2.519 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C ZINC000788153745 1077069768 /nfs/dbraw/zinc/06/97/68/1077069768.db2.gz HYMKLDQKIIATDD-KRWDZBQOSA-N 1 2 424.505 2.540 20 0 HFADLO COC(=O)N1CCN(c2cc[nH+]cc2NS(=O)(=O)/C=C/c2ccccc2F)CC1 ZINC000788206015 1077079379 /nfs/dbraw/zinc/07/93/79/1077079379.db2.gz SPTAGYXCPMVIIJ-NTUHNPAUSA-N 1 2 420.466 2.522 20 0 HFADLO CC1=C(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[C@H](C)n2ncnc2N1C ZINC000788271869 1077094611 /nfs/dbraw/zinc/09/46/11/1077094611.db2.gz YLRCUPUREWGWAY-OCCSQVGLSA-N 1 2 401.540 2.890 20 0 HFADLO CC1=C(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[C@H](C)n2ncnc2N1C ZINC000788271869 1077094617 /nfs/dbraw/zinc/09/46/17/1077094617.db2.gz YLRCUPUREWGWAY-OCCSQVGLSA-N 1 2 401.540 2.890 20 0 HFADLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](Cn2nccc2-c2ccc(F)c(Cl)c2)C1 ZINC000788385844 1077138590 /nfs/dbraw/zinc/13/85/90/1077138590.db2.gz GSQJZGNNHRYLLS-OAHLLOKOSA-N 1 2 412.918 2.800 20 0 HFADLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cn2nccc2-c2ccc(F)c(Cl)c2)C1 ZINC000788385844 1077138594 /nfs/dbraw/zinc/13/85/94/1077138594.db2.gz GSQJZGNNHRYLLS-OAHLLOKOSA-N 1 2 412.918 2.800 20 0 HFADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCSc3c(F)cccc32)C1 ZINC000788463100 1077167791 /nfs/dbraw/zinc/16/77/91/1077167791.db2.gz KXECFOPKWWXODO-BBRMVZONSA-N 1 2 402.495 2.619 20 0 HFADLO O=C(C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000788470683 1077170242 /nfs/dbraw/zinc/17/02/42/1077170242.db2.gz IPGCMDYKPUHNJV-UTKZUKDTSA-N 1 2 423.473 2.719 20 0 HFADLO O=C(C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000788473785 1077171009 /nfs/dbraw/zinc/17/10/09/1077171009.db2.gz WRPCGOOOJMDLHZ-QFIPXVFZSA-N 1 2 420.517 2.857 20 0 HFADLO COCCOC(=O)Nc1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000788577368 1077210791 /nfs/dbraw/zinc/21/07/91/1077210791.db2.gz LGVGKZLRZCZGBK-GOSISDBHSA-N 1 2 400.435 2.962 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)CCOCC(F)F)cc2Br)CC1 ZINC000790955648 1077253399 /nfs/dbraw/zinc/25/33/99/1077253399.db2.gz GXJPFNRSHSEZMV-UHFFFAOYSA-N 1 2 406.271 2.811 20 0 HFADLO C[C@H](NC(=O)C(=O)NCCCNc1cccc[nH+]1)c1cccc(OC(F)(F)F)c1 ZINC000788663635 1077258950 /nfs/dbraw/zinc/25/89/50/1077258950.db2.gz HQCMZJZVMOKELQ-ZDUSSCGKSA-N 1 2 410.396 2.776 20 0 HFADLO CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788697827 1077262735 /nfs/dbraw/zinc/26/27/35/1077262735.db2.gz WPGOSUYWEOVAIO-QFIPXVFZSA-N 1 2 417.513 2.874 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)/C=C\c2ccc(Br)cc2)C[C@H](C)O1 ZINC000788696316 1077274991 /nfs/dbraw/zinc/27/49/91/1077274991.db2.gz OYFRYCOOIYCQDH-LDPUDYSASA-N 1 2 417.369 2.791 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)/C=C\c2ccc(Br)cc2)C[C@H](C)O1 ZINC000788696316 1077274996 /nfs/dbraw/zinc/27/49/96/1077274996.db2.gz OYFRYCOOIYCQDH-LDPUDYSASA-N 1 2 417.369 2.791 20 0 HFADLO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)CCN1C(=O)OC(C)(C)C ZINC000788786209 1077302740 /nfs/dbraw/zinc/30/27/40/1077302740.db2.gz WOPRUCGUCPPWSK-XQLPTFJDSA-N 1 2 409.531 2.910 20 0 HFADLO C[C@@H](C(=O)O[C@H]1CCN(C2CCOCC2)C1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000746983739 1077309897 /nfs/dbraw/zinc/30/98/97/1077309897.db2.gz RNCMCWUITRNJRR-AVRDEDQJSA-N 1 2 414.546 2.653 20 0 HFADLO COc1ccc2nc(C)c(C(=O)Nc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)cc2c1 ZINC000788837217 1077315863 /nfs/dbraw/zinc/31/58/63/1077315863.db2.gz VPGBFAVJMDIUCN-UHFFFAOYSA-N 1 2 404.470 2.648 20 0 HFADLO COc1ccc2nc(C)c(C(=O)Nc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)cc2c1 ZINC000788837217 1077315868 /nfs/dbraw/zinc/31/58/68/1077315868.db2.gz VPGBFAVJMDIUCN-UHFFFAOYSA-N 1 2 404.470 2.648 20 0 HFADLO Cc1cc(N2CCC[C@H]([NH+]3CCN(c4ccnc5c(F)cccc45)CC3)C2=O)n(C)n1 ZINC000788852972 1077321052 /nfs/dbraw/zinc/32/10/52/1077321052.db2.gz FNBPOOJPZWYMQF-FQEVSTJZSA-N 1 2 422.508 2.733 20 0 HFADLO Cc1cc(N2CCN(S(=O)(=O)C3=Cc4ccccc4OC3)CC2)nc(C(C)C)[nH+]1 ZINC000788874659 1077325568 /nfs/dbraw/zinc/32/55/68/1077325568.db2.gz JDBUACDJTDZMEI-UHFFFAOYSA-N 1 2 414.531 2.794 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000791291962 1077357907 /nfs/dbraw/zinc/35/79/07/1077357907.db2.gz PCUIJOHUTLGRPB-UHFFFAOYSA-N 1 2 417.462 2.927 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000791362850 1077393855 /nfs/dbraw/zinc/39/38/55/1077393855.db2.gz DBNDLKJQHKBMSU-SFTDATJTSA-N 1 2 423.444 2.639 20 0 HFADLO CC(C)(C)OC(=O)N1CC(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000789061852 1077394701 /nfs/dbraw/zinc/39/47/01/1077394701.db2.gz MHFSXPFMXIMHEY-UHFFFAOYSA-N 1 2 403.527 2.728 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000791415094 1077403021 /nfs/dbraw/zinc/40/30/21/1077403021.db2.gz NKAPSIAWJDPFHB-UHFFFAOYSA-N 1 2 407.474 2.793 20 0 HFADLO Cc1nc(CC(C)C)oc1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000789134507 1077406202 /nfs/dbraw/zinc/40/62/02/1077406202.db2.gz RNABWTRLAJZWOT-UHFFFAOYSA-N 1 2 405.520 2.744 20 0 HFADLO Cc1nc(CC(C)C)oc1C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000789137186 1077407758 /nfs/dbraw/zinc/40/77/58/1077407758.db2.gz SKNCHGKBHWPCDV-UHFFFAOYSA-N 1 2 415.490 2.809 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000791426093 1077416230 /nfs/dbraw/zinc/41/62/30/1077416230.db2.gz NZYFZZBLYHHYRH-UHFFFAOYSA-N 1 2 423.853 2.978 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O ZINC000791428103 1077416891 /nfs/dbraw/zinc/41/68/91/1077416891.db2.gz FZRBIRAXNBJSBM-HZPDHXFCSA-N 1 2 424.501 2.971 20 0 HFADLO O=C(Nc1ccccc1)NC1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000791472247 1077443717 /nfs/dbraw/zinc/44/37/17/1077443717.db2.gz BQQIGCBPQPGCFT-UHFFFAOYSA-N 1 2 401.532 2.888 20 0 HFADLO Cc1cc(C)c(N2CC[C@@H](NC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)c(C)c1 ZINC000789236815 1077486509 /nfs/dbraw/zinc/48/65/09/1077486509.db2.gz IHTDCCRMVNNBQY-WOJBJXKFSA-N 1 2 408.502 2.975 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCc3cn4cccc(C)c4[nH+]3)C2)c1 ZINC000791624184 1077491260 /nfs/dbraw/zinc/49/12/60/1077491260.db2.gz YENBVLLXFBKOKC-HXUWFJFHSA-N 1 2 408.458 2.512 20 0 HFADLO Cc1cc(N2C[C@H](C(=O)OCc3cc[nH+]c(N)c3)CC2=O)ccc1Br ZINC000791686561 1077528690 /nfs/dbraw/zinc/52/86/90/1077528690.db2.gz HGROUMRZQQROQS-CYBMUJFWSA-N 1 2 404.264 2.831 20 0 HFADLO Nc1cc(COC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)cc[nH+]1 ZINC000791689732 1077529441 /nfs/dbraw/zinc/52/94/41/1077529441.db2.gz IOEPUFGQMHGWME-UHFFFAOYSA-N 1 2 417.512 2.603 20 0 HFADLO COc1nc(Br)ccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000789383738 1077530822 /nfs/dbraw/zinc/53/08/22/1077530822.db2.gz HAZIUONVXLHMKF-CYBMUJFWSA-N 1 2 413.316 2.571 20 0 HFADLO Cc1noc(C)c1C[NH+]1CCN(CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)CC1 ZINC000789426222 1077556626 /nfs/dbraw/zinc/55/66/26/1077556626.db2.gz SUCCJSQNCUAHGI-QFIPXVFZSA-N 1 2 417.554 2.503 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)C1=O ZINC000789427387 1077557213 /nfs/dbraw/zinc/55/72/13/1077557213.db2.gz YKGYVJSTWHIAFF-HSZRJFAPSA-N 1 2 418.582 2.805 20 0 HFADLO CC(C)[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O ZINC000789440188 1077573073 /nfs/dbraw/zinc/57/30/73/1077573073.db2.gz BBBKCSSRUURGTM-OAQYLSRUSA-N 1 2 406.477 2.791 20 0 HFADLO CC(C)[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O ZINC000789440188 1077573079 /nfs/dbraw/zinc/57/30/79/1077573079.db2.gz BBBKCSSRUURGTM-OAQYLSRUSA-N 1 2 406.477 2.791 20 0 HFADLO COC(=O)c1ccc2c(c1)C(=O)N(C[N@@H+]1CCCN(c3ccc(F)c(F)c3)CC1)C2 ZINC000789440890 1077573646 /nfs/dbraw/zinc/57/36/46/1077573646.db2.gz FHHAGQAFVBMXMQ-UHFFFAOYSA-N 1 2 415.440 2.877 20 0 HFADLO COC(=O)c1ccc2c(c1)C(=O)N(C[N@H+]1CCCN(c3ccc(F)c(F)c3)CC1)C2 ZINC000789440890 1077573651 /nfs/dbraw/zinc/57/36/51/1077573651.db2.gz FHHAGQAFVBMXMQ-UHFFFAOYSA-N 1 2 415.440 2.877 20 0 HFADLO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789441597 1077574578 /nfs/dbraw/zinc/57/45/78/1077574578.db2.gz ICYHJHUFSGRKJO-HXUWFJFHSA-N 1 2 414.456 2.598 20 0 HFADLO O=C1N[C@H](Cc2ccccc2)C(=O)N1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789441597 1077574580 /nfs/dbraw/zinc/57/45/80/1077574580.db2.gz ICYHJHUFSGRKJO-HXUWFJFHSA-N 1 2 414.456 2.598 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(N3CCCCC3=O)CC2)C1=O ZINC000789445267 1077577724 /nfs/dbraw/zinc/57/77/24/1077577724.db2.gz SNKQWOSLDGKLAG-QFIPXVFZSA-N 1 2 404.555 2.558 20 0 HFADLO Nc1cc(COC(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)cc[nH+]1 ZINC000791954477 1077628650 /nfs/dbraw/zinc/62/86/50/1077628650.db2.gz MCSTVFWWMBTNAX-MRXNPFEDSA-N 1 2 400.504 2.659 20 0 HFADLO Cn1cc([C@H]2CN(C(=O)C3(c4cc(F)cc(Br)c4)CC3)CC[NH2+]2)cn1 ZINC001170110853 1077629198 /nfs/dbraw/zinc/62/91/98/1077629198.db2.gz AFRXVHCPIRVXQK-MRXNPFEDSA-N 1 2 407.287 2.526 20 0 HFADLO COc1cccc(COc2cccc(Cl)c2C[NH2+]C[C@@H]2CC(C(N)=O)=NO2)c1 ZINC000789559941 1077678648 /nfs/dbraw/zinc/67/86/48/1077678648.db2.gz DMTGQVRZDWCYTL-HNNXBMFYSA-N 1 2 403.866 2.647 20 0 HFADLO COc1nc(Br)ccc1NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000789594323 1077701222 /nfs/dbraw/zinc/70/12/22/1077701222.db2.gz JYKLUPWOIPXZKB-UHFFFAOYSA-N 1 2 416.235 2.616 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(COc3ccccc3)cc2)[nH+]1 ZINC000789596832 1077702657 /nfs/dbraw/zinc/70/26/57/1077702657.db2.gz OFVZUAFLWYAMPF-UHFFFAOYSA-N 1 2 412.837 2.572 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)[nH+]1 ZINC000789599132 1077703172 /nfs/dbraw/zinc/70/31/72/1077703172.db2.gz FGUIEKZNDWJPPR-UHFFFAOYSA-N 1 2 418.791 2.938 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)OCc3cc[nH+]c(N)c3)cn2)C1 ZINC000792135290 1077718644 /nfs/dbraw/zinc/71/86/44/1077718644.db2.gz YJSUOAQQCLWKHO-MRXNPFEDSA-N 1 2 401.467 2.789 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2cc(F)c(F)cc2F)CC1 ZINC000746838806 1077724410 /nfs/dbraw/zinc/72/44/10/1077724410.db2.gz DMAVHRHXCMSVNQ-UHFFFAOYSA-N 1 2 401.429 2.777 20 0 HFADLO CC(C)(C)OC(=O)N[C@]1(C(=O)OCc2cc[nH+]c(N)c2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000792161464 1077727312 /nfs/dbraw/zinc/72/73/12/1077727312.db2.gz UFCQWMCTLXDXSS-NVAPDCRFSA-N 1 2 405.495 2.806 20 0 HFADLO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CCc2ccccc2NC1=O ZINC000792208431 1077731209 /nfs/dbraw/zinc/73/12/09/1077731209.db2.gz HNSVAXKJIVMOFS-QFIPXVFZSA-N 1 2 422.529 2.737 20 0 HFADLO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CCc2ccccc2NC1=O ZINC000792208431 1077731219 /nfs/dbraw/zinc/73/12/19/1077731219.db2.gz HNSVAXKJIVMOFS-QFIPXVFZSA-N 1 2 422.529 2.737 20 0 HFADLO COc1nc(Br)ccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000789702483 1077743956 /nfs/dbraw/zinc/74/39/56/1077743956.db2.gz SZLAQEGNAQHBHZ-HNNXBMFYSA-N 1 2 406.280 2.692 20 0 HFADLO COc1nc(Br)ccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000789702483 1077743963 /nfs/dbraw/zinc/74/39/63/1077743963.db2.gz SZLAQEGNAQHBHZ-HNNXBMFYSA-N 1 2 406.280 2.692 20 0 HFADLO C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792228345 1077753036 /nfs/dbraw/zinc/75/30/36/1077753036.db2.gz AORMGRGRNXTDGE-INIZCTEOSA-N 1 2 421.513 2.846 20 0 HFADLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)c(C)c1 ZINC000792230282 1077754249 /nfs/dbraw/zinc/75/42/49/1077754249.db2.gz ILYIQXDVGORUMZ-RBUKOAKNSA-N 1 2 400.519 2.701 20 0 HFADLO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789768630 1077770627 /nfs/dbraw/zinc/77/06/27/1077770627.db2.gz KZDRGWZYDSXIQZ-LJQANCHMSA-N 1 2 422.316 2.721 20 0 HFADLO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789768630 1077770632 /nfs/dbraw/zinc/77/06/32/1077770632.db2.gz KZDRGWZYDSXIQZ-LJQANCHMSA-N 1 2 422.316 2.721 20 0 HFADLO C[N@@H+]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000792217109 1077770971 /nfs/dbraw/zinc/77/09/71/1077770971.db2.gz DKTQDRDCJQTXBY-LJQANCHMSA-N 1 2 412.534 2.835 20 0 HFADLO C[N@H+]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000792217109 1077770980 /nfs/dbraw/zinc/77/09/80/1077770980.db2.gz DKTQDRDCJQTXBY-LJQANCHMSA-N 1 2 412.534 2.835 20 0 HFADLO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000789751675 1077783293 /nfs/dbraw/zinc/78/32/93/1077783293.db2.gz DCETVKLBKQWYJV-HOCLYGCPSA-N 1 2 420.945 2.566 20 0 HFADLO CCc1ccc([C@@H]2C[N@H+](CCCN3C(=O)CS/C3=C/C(=O)OC)CCO2)cc1 ZINC000792360193 1077814521 /nfs/dbraw/zinc/81/45/21/1077814521.db2.gz DPPVGSOBUXWHBR-ACRNLXFHSA-N 1 2 404.532 2.602 20 0 HFADLO CCc1ccc([C@@H]2C[N@@H+](CCCN3C(=O)CS/C3=C/C(=O)OC)CCO2)cc1 ZINC000792360193 1077814529 /nfs/dbraw/zinc/81/45/29/1077814529.db2.gz DPPVGSOBUXWHBR-ACRNLXFHSA-N 1 2 404.532 2.602 20 0 HFADLO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2nc3ccccc3c(=O)n2C)cn1 ZINC000792374883 1077820897 /nfs/dbraw/zinc/82/08/97/1077820897.db2.gz DCLLUHYONQPWRG-JOCHJYFZSA-N 1 2 417.513 2.886 20 0 HFADLO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2nc3ccccc3c(=O)n2C)cn1 ZINC000792374883 1077820902 /nfs/dbraw/zinc/82/09/02/1077820902.db2.gz DCLLUHYONQPWRG-JOCHJYFZSA-N 1 2 417.513 2.886 20 0 HFADLO CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000792336596 1077825126 /nfs/dbraw/zinc/82/51/26/1077825126.db2.gz DQXYZGUATITCEG-DLBZAZTESA-N 1 2 402.470 2.762 20 0 HFADLO COC(=O)Cc1cccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)n1 ZINC000792408074 1077839663 /nfs/dbraw/zinc/83/96/63/1077839663.db2.gz ZBIGYAIEKADHIV-UHFFFAOYSA-N 1 2 411.506 2.654 20 0 HFADLO COc1cc(Cl)c(Cl)cc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000792453873 1077856352 /nfs/dbraw/zinc/85/63/52/1077856352.db2.gz UTPKMGIOOXBTDW-UHFFFAOYSA-N 1 2 424.350 2.633 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000792491705 1077865327 /nfs/dbraw/zinc/86/53/27/1077865327.db2.gz MLLDKGFCJYGUFL-LPHOPBHVSA-N 1 2 423.529 2.613 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cs1 ZINC000789965340 1077873215 /nfs/dbraw/zinc/87/32/15/1077873215.db2.gz FVHVWIFYDRQVKI-UHFFFAOYSA-N 1 2 405.524 2.884 20 0 HFADLO CC[C@H](C)n1ncc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1C ZINC000792480339 1077876341 /nfs/dbraw/zinc/87/63/41/1077876341.db2.gz AHWPTSSZKIXAJG-GOEBONIOSA-N 1 2 408.547 2.835 20 0 HFADLO CC[C@H](C)n1ncc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1C ZINC000792480339 1077876345 /nfs/dbraw/zinc/87/63/45/1077876345.db2.gz AHWPTSSZKIXAJG-GOEBONIOSA-N 1 2 408.547 2.835 20 0 HFADLO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000772797039 1077879835 /nfs/dbraw/zinc/87/98/35/1077879835.db2.gz BTYDGGDDDXBNCK-NWDGAFQWSA-N 1 2 421.410 2.896 20 0 HFADLO Cc1sc(CC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nc1C(C)C ZINC000789978534 1077880047 /nfs/dbraw/zinc/88/00/47/1077880047.db2.gz FBYVVOGGTAMIMJ-OAHLLOKOSA-N 1 2 410.584 2.785 20 0 HFADLO Cc1sc(CC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nc1C(C)C ZINC000789978534 1077880054 /nfs/dbraw/zinc/88/00/54/1077880054.db2.gz FBYVVOGGTAMIMJ-OAHLLOKOSA-N 1 2 410.584 2.785 20 0 HFADLO COc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)nc1 ZINC000790045631 1077910183 /nfs/dbraw/zinc/91/01/83/1077910183.db2.gz IJDUPLRLVRQHRG-UHFFFAOYSA-N 1 2 419.323 2.786 20 0 HFADLO O=C(CCCCN1C(=O)c2ccccc2C1=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000792591206 1077925006 /nfs/dbraw/zinc/92/50/06/1077925006.db2.gz BWKCLHOBSOQDQM-UHFFFAOYSA-N 1 2 402.454 2.955 20 0 HFADLO CN1CCN(c2cc(NCc3ccc(C4(C(F)(F)F)N=N4)cc3)[nH+]cn2)CC1=O ZINC001170295088 1077929912 /nfs/dbraw/zinc/92/99/12/1077929912.db2.gz KKPCRBCJTCJKMR-UHFFFAOYSA-N 1 2 405.384 2.548 20 0 HFADLO CN1CCN(c2cc(NCc3ccc(C4(C(F)(F)F)N=N4)cc3)nc[nH+]2)CC1=O ZINC001170295088 1077929914 /nfs/dbraw/zinc/92/99/14/1077929914.db2.gz KKPCRBCJTCJKMR-UHFFFAOYSA-N 1 2 405.384 2.548 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000790123271 1077958687 /nfs/dbraw/zinc/95/86/87/1077958687.db2.gz APSKRECKDHXJJB-QBUWPKIASA-N 1 2 409.571 2.734 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000790126444 1077959794 /nfs/dbraw/zinc/95/97/94/1077959794.db2.gz FOOPOVVCSZAMAF-UHFFFAOYSA-N 1 2 407.511 2.922 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000790126444 1077959795 /nfs/dbraw/zinc/95/97/95/1077959795.db2.gz FOOPOVVCSZAMAF-UHFFFAOYSA-N 1 2 407.511 2.922 20 0 HFADLO CC(=O)Nc1ccc2c(C[NH+]3CCN(Cc4nc(C)c(C)o4)CC3)cc(=O)oc2c1 ZINC000772747575 1077960030 /nfs/dbraw/zinc/96/00/30/1077960030.db2.gz OZDGWVNWNBFYHP-UHFFFAOYSA-N 1 2 410.474 2.674 20 0 HFADLO COc1ccc(C2(C(=O)Nc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)CCCC2)cc1 ZINC000790156422 1077960699 /nfs/dbraw/zinc/96/06/99/1077960699.db2.gz CWQXXGFPPPEEFO-UHFFFAOYSA-N 1 2 407.514 2.989 20 0 HFADLO COc1ccc(C2(C(=O)Nc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)CCCC2)cc1 ZINC000790156422 1077960700 /nfs/dbraw/zinc/96/07/00/1077960700.db2.gz CWQXXGFPPPEEFO-UHFFFAOYSA-N 1 2 407.514 2.989 20 0 HFADLO CC(=O)N1CCc2ccc(S(=O)(=O)Oc3cccc(-n4cc[nH+]c4)c3)cc2CC1 ZINC000790215750 1077972282 /nfs/dbraw/zinc/97/22/82/1077972282.db2.gz VMCYRQDKAFSBFM-UHFFFAOYSA-N 1 2 411.483 2.587 20 0 HFADLO COc1c(C)c[nH+]c(CN(C)C(=O)CCNS(=O)(=O)/C=C\c2ccccc2)c1C ZINC000746889759 1077994159 /nfs/dbraw/zinc/99/41/59/1077994159.db2.gz FNSQJICNNZLXFZ-QBFSEMIESA-N 1 2 417.531 2.646 20 0 HFADLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(F)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000790311934 1078000374 /nfs/dbraw/zinc/00/03/74/1078000374.db2.gz LLQTXDOGCACOFK-RHSMWYFYSA-N 1 2 400.516 2.835 20 0 HFADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000790311934 1078000379 /nfs/dbraw/zinc/00/03/79/1078000379.db2.gz LLQTXDOGCACOFK-RHSMWYFYSA-N 1 2 400.516 2.835 20 0 HFADLO CC[C@@H](C)n1ncc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC000790343325 1078007847 /nfs/dbraw/zinc/00/78/47/1078007847.db2.gz AEPDYUXSTXSKEB-MRXNPFEDSA-N 1 2 407.559 2.835 20 0 HFADLO O=S1(=O)CCC[C@@H](C[NH+]2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000792862040 1078010514 /nfs/dbraw/zinc/01/05/14/1078010514.db2.gz INUSRDOOUDAKLB-INIZCTEOSA-N 1 2 406.470 2.528 20 0 HFADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000792897925 1078019081 /nfs/dbraw/zinc/01/90/81/1078019081.db2.gz WUDFKUBUMIVODS-GOSISDBHSA-N 1 2 412.914 2.821 20 0 HFADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000792897925 1078019084 /nfs/dbraw/zinc/01/90/84/1078019084.db2.gz WUDFKUBUMIVODS-GOSISDBHSA-N 1 2 412.914 2.821 20 0 HFADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792909212 1078021226 /nfs/dbraw/zinc/02/12/26/1078021226.db2.gz SXMVOCNIKVURBF-MAUKXSAKSA-N 1 2 414.333 2.574 20 0 HFADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792909212 1078021233 /nfs/dbraw/zinc/02/12/33/1078021233.db2.gz SXMVOCNIKVURBF-MAUKXSAKSA-N 1 2 414.333 2.574 20 0 HFADLO COC(=O)c1ncsc1S(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000790420809 1078022320 /nfs/dbraw/zinc/02/23/20/1078022320.db2.gz DNEMFSCLRDRWJS-UHFFFAOYSA-N 1 2 419.484 2.897 20 0 HFADLO O=S(=O)(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cnn([C@H]2CCOC2)c1 ZINC000790421987 1078022527 /nfs/dbraw/zinc/02/25/27/1078022527.db2.gz JBNQSOQDQVBHDW-KRWDZBQOSA-N 1 2 414.487 2.812 20 0 HFADLO COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(OC)c1 ZINC000792912752 1078024190 /nfs/dbraw/zinc/02/41/90/1078024190.db2.gz ZLDPZTWHEAXZCU-FUHWJXTLSA-N 1 2 417.333 2.844 20 0 HFADLO COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c(OC)c1 ZINC000792912752 1078024195 /nfs/dbraw/zinc/02/41/95/1078024195.db2.gz ZLDPZTWHEAXZCU-FUHWJXTLSA-N 1 2 417.333 2.844 20 0 HFADLO CC1(C)C[N@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC[C@H]1C(F)(F)F ZINC000790459434 1078027083 /nfs/dbraw/zinc/02/70/83/1078027083.db2.gz FHNTVRVXLDIBNN-CYBMUJFWSA-N 1 2 417.453 2.949 20 0 HFADLO CC1(C)C[N@@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC[C@H]1C(F)(F)F ZINC000790459434 1078027087 /nfs/dbraw/zinc/02/70/87/1078027087.db2.gz FHNTVRVXLDIBNN-CYBMUJFWSA-N 1 2 417.453 2.949 20 0 HFADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)ccc1F ZINC000790460706 1078027178 /nfs/dbraw/zinc/02/71/78/1078027178.db2.gz SOFTYUCOKJLKIF-QGZVFWFLSA-N 1 2 420.506 2.550 20 0 HFADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)ccc1F ZINC000790460706 1078027184 /nfs/dbraw/zinc/02/71/84/1078027184.db2.gz SOFTYUCOKJLKIF-QGZVFWFLSA-N 1 2 420.506 2.550 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(C(=O)NCCc3cccs3)CC1)C2 ZINC000790438864 1078031358 /nfs/dbraw/zinc/03/13/58/1078031358.db2.gz KDLOPCGMVHMBCY-UHFFFAOYSA-N 1 2 413.543 2.741 20 0 HFADLO COC(=O)c1c2cnn(C[N@@H+]3CCCC[C@@H]3C3OCCO3)c2ccc1Br ZINC000790446252 1078034430 /nfs/dbraw/zinc/03/44/30/1078034430.db2.gz MBGVRPUHCRZQCV-OAHLLOKOSA-N 1 2 424.295 2.770 20 0 HFADLO COC(=O)c1c2cnn(C[N@H+]3CCCC[C@@H]3C3OCCO3)c2ccc1Br ZINC000790446252 1078034434 /nfs/dbraw/zinc/03/44/34/1078034434.db2.gz MBGVRPUHCRZQCV-OAHLLOKOSA-N 1 2 424.295 2.770 20 0 HFADLO C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)C[C@@H]1Cc1ccccc1 ZINC000790458002 1078037687 /nfs/dbraw/zinc/03/76/87/1078037687.db2.gz AIRZBFFFXKKTDV-AWEZNQCLSA-N 1 2 410.952 2.597 20 0 HFADLO C[N@H+]1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)C[C@@H]1Cc1ccccc1 ZINC000790458002 1078037693 /nfs/dbraw/zinc/03/76/93/1078037693.db2.gz AIRZBFFFXKKTDV-AWEZNQCLSA-N 1 2 410.952 2.597 20 0 HFADLO COCC[N@H+](Cn1nc2n(c1=S)c1ccccc1c(=O)n2C)[C@H]1CC[C@H](C)C1 ZINC000790476724 1078040260 /nfs/dbraw/zinc/04/02/60/1078040260.db2.gz CONJHJOFWASGGO-GJZGRUSLSA-N 1 2 401.536 2.812 20 0 HFADLO COCC[N@@H+](Cn1nc2n(c1=S)c1ccccc1c(=O)n2C)[C@H]1CC[C@H](C)C1 ZINC000790476724 1078040265 /nfs/dbraw/zinc/04/02/65/1078040265.db2.gz CONJHJOFWASGGO-GJZGRUSLSA-N 1 2 401.536 2.812 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCc3ccc(Cl)o3)CC2)C1 ZINC000806317340 1079560681 /nfs/dbraw/zinc/56/06/81/1079560681.db2.gz GCSLTHGGOUYMFX-AWEZNQCLSA-N 1 2 412.918 2.770 20 0 HFADLO C[C@@H](CCc1ccco1)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806317648 1079571791 /nfs/dbraw/zinc/57/17/91/1079571791.db2.gz LQUCHAWZLXKBKC-ZWKOTPCHSA-N 1 2 420.554 2.937 20 0 HFADLO COC[C@@]1(CNC(=O)Nc2ccc3[nH+]ccn3c2)CCCN1C(=O)OC(C)(C)C ZINC000806289188 1079573271 /nfs/dbraw/zinc/57/32/71/1079573271.db2.gz HGLYDUIMHOJFDH-FQEVSTJZSA-N 1 2 403.483 2.872 20 0 HFADLO Cc1ccc(NC(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c(N(C)C)[nH+]1 ZINC000806364468 1079651829 /nfs/dbraw/zinc/65/18/29/1079651829.db2.gz XIJYCGLFTRTXFC-UHFFFAOYSA-N 1 2 404.902 2.864 20 0 HFADLO CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000806430213 1079674644 /nfs/dbraw/zinc/67/46/44/1079674644.db2.gz JAEQSWKZCUJIFQ-GOSISDBHSA-N 1 2 405.543 2.804 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccnn3C(C)(C)C)C2)CC1 ZINC000806436078 1079682640 /nfs/dbraw/zinc/68/26/40/1079682640.db2.gz BKJCNUXHKGAGCQ-MRXNPFEDSA-N 1 2 420.558 2.797 20 0 HFADLO C[C@H](Cc1ccco1)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806406224 1079693570 /nfs/dbraw/zinc/69/35/70/1079693570.db2.gz VKWPCKOBYWECGQ-IAGOWNOFSA-N 1 2 406.527 2.547 20 0 HFADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000806482940 1079768914 /nfs/dbraw/zinc/76/89/14/1079768914.db2.gz VAXSIGWKKFAQBO-IIBYNOLFSA-N 1 2 421.549 2.810 20 0 HFADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000806482940 1079768919 /nfs/dbraw/zinc/76/89/19/1079768919.db2.gz VAXSIGWKKFAQBO-IIBYNOLFSA-N 1 2 421.549 2.810 20 0 HFADLO O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000806544876 1079783358 /nfs/dbraw/zinc/78/33/58/1079783358.db2.gz AHZWCIZZVNPKPM-ZWKOTPCHSA-N 1 2 412.444 2.563 20 0 HFADLO O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000806544876 1079783366 /nfs/dbraw/zinc/78/33/66/1079783366.db2.gz AHZWCIZZVNPKPM-ZWKOTPCHSA-N 1 2 412.444 2.563 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000806522228 1079799899 /nfs/dbraw/zinc/79/98/99/1079799899.db2.gz BFEAXUKYSBIVFR-MDKPJZGXSA-N 1 2 411.550 2.654 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000806522228 1079799907 /nfs/dbraw/zinc/79/99/07/1079799907.db2.gz BFEAXUKYSBIVFR-MDKPJZGXSA-N 1 2 411.550 2.654 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000806536881 1079809168 /nfs/dbraw/zinc/80/91/68/1079809168.db2.gz PNOCQVQFIWCNSV-SLFFLAALSA-N 1 2 414.550 2.879 20 0 HFADLO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001130668039 1079818491 /nfs/dbraw/zinc/81/84/91/1079818491.db2.gz AYZPXFRTURIARI-PNYFIKQUSA-N 1 2 404.576 2.711 20 0 HFADLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC001130668039 1079818504 /nfs/dbraw/zinc/81/85/04/1079818504.db2.gz AYZPXFRTURIARI-PNYFIKQUSA-N 1 2 404.576 2.711 20 0 HFADLO COc1ccc(CS(C)(=O)=O)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000806636650 1079892963 /nfs/dbraw/zinc/89/29/63/1079892963.db2.gz RLKUXFSEQHNFLU-UHFFFAOYSA-N 1 2 414.487 2.747 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCCCOC3CCCC3)CC2)C1 ZINC000806637247 1079893524 /nfs/dbraw/zinc/89/35/24/1079893524.db2.gz AEQJQLSRSYASOS-SFHVURJKSA-N 1 2 424.586 2.672 20 0 HFADLO Cc1csc([C@H](C)NC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000806715403 1079941610 /nfs/dbraw/zinc/94/16/10/1079941610.db2.gz GVZXEICEENWQQU-HOTGVXAUSA-N 1 2 423.583 2.849 20 0 HFADLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000806724023 1079948649 /nfs/dbraw/zinc/94/86/49/1079948649.db2.gz JTIAYEJMAXWOBG-IBGZPJMESA-N 1 2 424.586 2.720 20 0 HFADLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000806724023 1079948651 /nfs/dbraw/zinc/94/86/51/1079948651.db2.gz JTIAYEJMAXWOBG-IBGZPJMESA-N 1 2 424.586 2.720 20 0 HFADLO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000747359811 1080030972 /nfs/dbraw/zinc/03/09/72/1080030972.db2.gz KVYRHOFNMPCODR-IBGZPJMESA-N 1 2 411.550 2.723 20 0 HFADLO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000747359811 1080030982 /nfs/dbraw/zinc/03/09/82/1080030982.db2.gz KVYRHOFNMPCODR-IBGZPJMESA-N 1 2 411.550 2.723 20 0 HFADLO CCCC[C@@H](COC)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806833993 1080048124 /nfs/dbraw/zinc/04/81/24/1080048124.db2.gz RNOVNGBWQKTWOK-ROUUACIJSA-N 1 2 412.575 2.528 20 0 HFADLO CC[C@H](NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1nccs1 ZINC000806839467 1080052021 /nfs/dbraw/zinc/05/20/21/1080052021.db2.gz DRWAOQQDRFJCTA-CVEARBPZSA-N 1 2 423.583 2.931 20 0 HFADLO Cc1nc(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)sc1C ZINC000806890468 1080055960 /nfs/dbraw/zinc/05/59/60/1080055960.db2.gz GZCANDMKOUEUPD-INIZCTEOSA-N 1 2 423.583 2.597 20 0 HFADLO CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 ZINC000806854412 1080059289 /nfs/dbraw/zinc/05/92/89/1080059289.db2.gz DXEKEBKUGODOOP-RBUKOAKNSA-N 1 2 417.554 2.869 20 0 HFADLO Cc1cccc(F)c1CNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806873430 1080073920 /nfs/dbraw/zinc/07/39/20/1080073920.db2.gz AFXJPTKOGQUPFX-KRWDZBQOSA-N 1 2 420.529 2.971 20 0 HFADLO CC(C)Oc1ccc([C@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[NH+](C)C)cc1 ZINC000806875190 1080075668 /nfs/dbraw/zinc/07/56/68/1080075668.db2.gz IVQATIBUIUYHGE-SFHVURJKSA-N 1 2 413.584 2.589 20 0 HFADLO Cc1cnc([C@H](C)NC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC000806923532 1080091682 /nfs/dbraw/zinc/09/16/82/1080091682.db2.gz MHMFFBGQDOGDJY-HOTGVXAUSA-N 1 2 423.583 2.849 20 0 HFADLO C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C[C@@H]1C ZINC000806925952 1080095100 /nfs/dbraw/zinc/09/51/00/1080095100.db2.gz TVJYISOJQSDDQI-AOIWGVFYSA-N 1 2 400.567 2.779 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000806898360 1080105581 /nfs/dbraw/zinc/10/55/81/1080105581.db2.gz BYJVOMPFPUBYMD-SFHVURJKSA-N 1 2 401.511 2.886 20 0 HFADLO C[C@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000806964155 1080132590 /nfs/dbraw/zinc/13/25/90/1080132590.db2.gz WOLPCFWYGOCTLY-ROUUACIJSA-N 1 2 400.567 2.923 20 0 HFADLO CO[C@](C)(CNC(=O)c1ccccc1C[NH+]1CCOCC1)COCc1ccccc1 ZINC001130801972 1080189612 /nfs/dbraw/zinc/18/96/12/1080189612.db2.gz YCDNSZGSEYYLPV-XMMPIXPASA-N 1 2 412.530 2.871 20 0 HFADLO C[C@@H](c1cccc(NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)c1)[NH+]1CCOCC1 ZINC000807007885 1080206157 /nfs/dbraw/zinc/20/61/57/1080206157.db2.gz PODGJAFDWBLLCY-INIZCTEOSA-N 1 2 411.502 2.884 20 0 HFADLO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000807020432 1080215722 /nfs/dbraw/zinc/21/57/22/1080215722.db2.gz WTVWLOLZEICYSA-ROUUACIJSA-N 1 2 403.527 2.751 20 0 HFADLO Cc1ccncc1[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000807066420 1080248514 /nfs/dbraw/zinc/24/85/14/1080248514.db2.gz WUXHIHDKANTQST-ROUUACIJSA-N 1 2 417.554 2.788 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)N[C@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000807081036 1080260763 /nfs/dbraw/zinc/26/07/63/1080260763.db2.gz NGAJYFIOELCCBK-SJORKVTESA-N 1 2 424.586 2.669 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCCC[C@H]3CCCCO3)CC2)C1 ZINC000807112078 1080289511 /nfs/dbraw/zinc/28/95/11/1080289511.db2.gz PZZNBKGGBZXPID-RTBURBONSA-N 1 2 424.586 2.672 20 0 HFADLO O=C(NCCOC1CCC1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000807161233 1080318786 /nfs/dbraw/zinc/31/87/86/1080318786.db2.gz HEUOOZZYXNNLQB-UHFFFAOYSA-N 1 2 421.541 2.606 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)CSc3n[nH]c(=S)s3)cc2Cl)CC1 ZINC000747378045 1080378917 /nfs/dbraw/zinc/37/89/17/1080378917.db2.gz XUDJRDHVFCTETH-UHFFFAOYSA-N 1 2 415.997 2.963 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 ZINC000807280147 1080436844 /nfs/dbraw/zinc/43/68/44/1080436844.db2.gz CZDDBRRHIIGFOF-IBGZPJMESA-N 1 2 421.457 2.807 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000807281795 1080441780 /nfs/dbraw/zinc/44/17/80/1080441780.db2.gz WNMRYLUQGCNKJZ-OAHLLOKOSA-N 1 2 412.273 2.901 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N2CCCc3ccccc32)cc1 ZINC000807283798 1080443139 /nfs/dbraw/zinc/44/31/39/1080443139.db2.gz KRDGUYWPTDOXSJ-HXUWFJFHSA-N 1 2 404.470 2.939 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1oc2c(cc(Br)cc2C)c1C ZINC000807284373 1080445482 /nfs/dbraw/zinc/44/54/82/1080445482.db2.gz MBPJRJKCSPMURI-AWEZNQCLSA-N 1 2 420.263 2.980 20 0 HFADLO CN(CCCC[NH+](C)C)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000747398921 1080656330 /nfs/dbraw/zinc/65/63/30/1080656330.db2.gz NKDAJYACJJLZBT-UHFFFAOYSA-N 1 2 414.531 2.740 20 0 HFADLO COC[C@@]1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554225 1080803902 /nfs/dbraw/zinc/80/39/02/1080803902.db2.gz RYBYQPMUHKBHHV-KKSFZXQISA-N 1 2 421.542 2.715 20 0 HFADLO CC(=O)NC1(c2noc(CCC(=O)Nc3cccc4[nH+]ccn43)n2)CCCCCC1 ZINC000095961282 568670155 /nfs/dbraw/zinc/67/01/55/568670155.db2.gz UDMJURDNKGSOSD-UHFFFAOYSA-N 1 2 410.478 2.974 20 0 HFADLO COc1cc(OC)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673908 719500720 /nfs/dbraw/zinc/50/07/20/719500720.db2.gz UXAZJWODZCODAP-UHFFFAOYSA-N 1 2 402.470 2.504 20 0 HFADLO COc1cc(OC)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673908 719500729 /nfs/dbraw/zinc/50/07/29/719500729.db2.gz UXAZJWODZCODAP-UHFFFAOYSA-N 1 2 402.470 2.504 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2ccc(Cl)cc2n1 ZINC001164705584 719851910 /nfs/dbraw/zinc/85/19/10/719851910.db2.gz UKQWUBYUNYQCRQ-YWZLYKJASA-N 1 2 404.898 2.516 20 0 HFADLO CCc1nc(Cl)c(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(Cl)n1 ZINC001164707231 719871338 /nfs/dbraw/zinc/87/13/38/719871338.db2.gz RQBXJHMHBMWADD-SGTLLEGYSA-N 1 2 417.337 2.579 20 0 HFADLO COc1cc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cc(Cl)n1 ZINC001164829602 720396697 /nfs/dbraw/zinc/39/66/97/720396697.db2.gz NVIPGMRFMKGYQG-UHFFFAOYSA-N 1 2 409.828 2.535 20 0 HFADLO Cc1nc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc(Cl)c1C ZINC001164826911 720397663 /nfs/dbraw/zinc/39/76/63/720397663.db2.gz FAQAREQWRFCELF-UHFFFAOYSA-N 1 2 408.844 2.538 20 0 HFADLO COc1nnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757560 720982840 /nfs/dbraw/zinc/98/28/40/720982840.db2.gz OXWSHAHLZZTJEH-ZDUSSCGKSA-N 1 2 413.856 2.943 20 0 HFADLO F[C@H](Oc1ccc(Cl)nn1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770016 721276951 /nfs/dbraw/zinc/27/69/51/721276951.db2.gz RUQSDKIMKMGXCZ-UGSOOPFHSA-N 1 2 404.833 2.564 20 0 HFADLO CCOC(=O)c1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)ncc1Cl ZINC001165010696 721695233 /nfs/dbraw/zinc/69/52/33/721695233.db2.gz WQCSDUSLIXCRJS-UHFFFAOYSA-N 1 2 406.918 2.754 20 0 HFADLO CCOC(=O)c1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)ncc1Cl ZINC001165010696 721695235 /nfs/dbraw/zinc/69/52/35/721695235.db2.gz WQCSDUSLIXCRJS-UHFFFAOYSA-N 1 2 406.918 2.754 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(NC(=O)OC(C)(C)C)ncn1)C2 ZINC001165009947 721698068 /nfs/dbraw/zinc/69/80/68/721698068.db2.gz RZRFDELPNHEKAM-UHFFFAOYSA-N 1 2 416.530 2.666 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(NC(=O)OC(C)(C)C)ncn1)C2 ZINC001165009947 721698074 /nfs/dbraw/zinc/69/80/74/721698074.db2.gz RZRFDELPNHEKAM-UHFFFAOYSA-N 1 2 416.530 2.666 20 0 HFADLO COC(=O)c1ccc2cc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)ncc2c1 ZINC001165010086 721711639 /nfs/dbraw/zinc/71/16/39/721711639.db2.gz ZJZXQRROJIQBPT-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO COC(=O)c1ccc2cc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)ncc2c1 ZINC001165010086 721711647 /nfs/dbraw/zinc/71/16/47/721711647.db2.gz ZJZXQRROJIQBPT-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO Clc1cc2cc[nH]c2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914923 721787708 /nfs/dbraw/zinc/78/77/08/721787708.db2.gz ICPHRUMWMXSKJY-OAQYLSRUSA-N 1 2 413.909 2.671 20 0 HFADLO Clc1cc2cc[nH]c2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914923 721787712 /nfs/dbraw/zinc/78/77/12/721787712.db2.gz ICPHRUMWMXSKJY-OAQYLSRUSA-N 1 2 413.909 2.671 20 0 HFADLO CC(C)COc1cccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916072 721791675 /nfs/dbraw/zinc/79/16/75/721791675.db2.gz OUBWNCNHMDAETQ-HSZRJFAPSA-N 1 2 412.534 2.619 20 0 HFADLO CC(C)COc1cccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916072 721791685 /nfs/dbraw/zinc/79/16/85/721791685.db2.gz OUBWNCNHMDAETQ-HSZRJFAPSA-N 1 2 412.534 2.619 20 0 HFADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(-c2ccco2)n1 ZINC001164913894 721797177 /nfs/dbraw/zinc/79/71/77/721797177.db2.gz IJDUMXCISIWHGH-QHCPKHFHSA-N 1 2 421.501 2.548 20 0 HFADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(-c2ccco2)n1 ZINC001164913894 721797180 /nfs/dbraw/zinc/79/71/80/721797180.db2.gz IJDUMXCISIWHGH-QHCPKHFHSA-N 1 2 421.501 2.548 20 0 HFADLO CC(C)c1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915636 721800041 /nfs/dbraw/zinc/80/00/41/721800041.db2.gz XETINCURFZPNDY-NRFANRHFSA-N 1 2 417.941 2.756 20 0 HFADLO CC(C)c1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915636 721800043 /nfs/dbraw/zinc/80/00/43/721800043.db2.gz XETINCURFZPNDY-NRFANRHFSA-N 1 2 417.941 2.756 20 0 HFADLO CSc1nc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164942153 721969203 /nfs/dbraw/zinc/96/92/03/721969203.db2.gz BCCAOZPXBOONGS-UHFFFAOYSA-N 1 2 417.966 2.823 20 0 HFADLO CSc1nc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164942153 721969207 /nfs/dbraw/zinc/96/92/07/721969207.db2.gz BCCAOZPXBOONGS-UHFFFAOYSA-N 1 2 417.966 2.823 20 0 HFADLO Cc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)ncc2c1 ZINC001164945124 721974922 /nfs/dbraw/zinc/97/49/22/721974922.db2.gz DAGKEIGNOCXSCI-UHFFFAOYSA-N 1 2 401.514 2.909 20 0 HFADLO Cc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)ncc2c1 ZINC001164945124 721974923 /nfs/dbraw/zinc/97/49/23/721974923.db2.gz DAGKEIGNOCXSCI-UHFFFAOYSA-N 1 2 401.514 2.909 20 0 HFADLO C[C@H]1CCc2nnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)cc2C1 ZINC001164949377 721980613 /nfs/dbraw/zinc/98/06/13/721980613.db2.gz PBMLUWWJIDACRA-SFHVURJKSA-N 1 2 405.546 2.572 20 0 HFADLO C[C@H]1CCc2nnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)cc2C1 ZINC001164949377 721980616 /nfs/dbraw/zinc/98/06/16/721980616.db2.gz PBMLUWWJIDACRA-SFHVURJKSA-N 1 2 405.546 2.572 20 0 HFADLO CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1 ZINC001164987632 722184719 /nfs/dbraw/zinc/18/47/19/722184719.db2.gz KZLIIJDPDPQNHA-MOPGFXCFSA-N 1 2 415.563 2.983 20 0 HFADLO O=C(Nc1cccc(Br)n1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000793018912 1078050904 /nfs/dbraw/zinc/05/09/04/1078050904.db2.gz YJHXPVWXFYJPJB-UHFFFAOYSA-N 1 2 420.311 2.698 20 0 HFADLO O=C(c1nc(Br)ccc1Br)N1CC(Oc2cc[nH+]cc2)C1 ZINC000790582931 1078061679 /nfs/dbraw/zinc/06/16/79/1078061679.db2.gz BHLPXULNAXPAFR-UHFFFAOYSA-N 1 2 413.069 2.905 20 0 HFADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790584697 1078061909 /nfs/dbraw/zinc/06/19/09/1078061909.db2.gz WHADXWQMAPWHOP-FQEVSTJZSA-N 1 2 415.457 2.850 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000793250567 1078110454 /nfs/dbraw/zinc/11/04/54/1078110454.db2.gz PYFQHNCUJIGXMD-UHFFFAOYSA-N 1 2 411.911 2.648 20 0 HFADLO Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)OCCc1c[nH+]cn1C ZINC000793250329 1078110679 /nfs/dbraw/zinc/11/06/79/1078110679.db2.gz LRUFHZIFVIXZLK-UHFFFAOYSA-N 1 2 413.499 2.607 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000793253220 1078111032 /nfs/dbraw/zinc/11/10/32/1078111032.db2.gz NJPNORDWOOHKAA-AWEZNQCLSA-N 1 2 407.417 2.660 20 0 HFADLO COCC1(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793300768 1078122352 /nfs/dbraw/zinc/12/23/52/1078122352.db2.gz YMDFLGTXZFMOSP-UHFFFAOYSA-N 1 2 421.538 2.987 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(c3cccnc3)=NO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000790817415 1078153622 /nfs/dbraw/zinc/15/36/22/1078153622.db2.gz HGAQZCYPPRCSPF-YTQUADARSA-N 1 2 402.857 2.929 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(c3cccnc3)=NO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000790817415 1078153625 /nfs/dbraw/zinc/15/36/25/1078153625.db2.gz HGAQZCYPPRCSPF-YTQUADARSA-N 1 2 402.857 2.929 20 0 HFADLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)CN1CC[C@H](CCc2ccccc2)C1=O ZINC000793511264 1078194693 /nfs/dbraw/zinc/19/46/93/1078194693.db2.gz IKYNWQFHVJDYTO-IBGZPJMESA-N 1 2 405.498 2.653 20 0 HFADLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)CN1CC[C@H](CCc2ccccc2)C1=O ZINC000793511264 1078194694 /nfs/dbraw/zinc/19/46/94/1078194694.db2.gz IKYNWQFHVJDYTO-IBGZPJMESA-N 1 2 405.498 2.653 20 0 HFADLO COCC1(C(=O)NCCCNc2cccc[nH+]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793528853 1078200208 /nfs/dbraw/zinc/20/02/08/1078200208.db2.gz IUXPLOPUFACWQX-UHFFFAOYSA-N 1 2 406.527 2.664 20 0 HFADLO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000793594498 1078218513 /nfs/dbraw/zinc/21/85/13/1078218513.db2.gz FBATUMGJVTVEFL-HXUWFJFHSA-N 1 2 414.556 2.993 20 0 HFADLO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000793594498 1078218516 /nfs/dbraw/zinc/21/85/16/1078218516.db2.gz FBATUMGJVTVEFL-HXUWFJFHSA-N 1 2 414.556 2.993 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N[C@H](C)C[C@@H](O)c2ccccc2)[C@@H]1c1c[nH+]cn1C ZINC000793645091 1078240035 /nfs/dbraw/zinc/24/00/35/1078240035.db2.gz MXSDLQQXBWEGRU-QWJIHBKKSA-N 1 2 412.534 2.738 20 0 HFADLO C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000793676654 1078251124 /nfs/dbraw/zinc/25/11/24/1078251124.db2.gz ALBNLCNSFVFRML-KRWDZBQOSA-N 1 2 410.518 2.509 20 0 HFADLO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000793655464 1078258969 /nfs/dbraw/zinc/25/89/69/1078258969.db2.gz JBEVRVGVWSNVOZ-PNHOKKKMSA-N 1 2 415.921 2.571 20 0 HFADLO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000793655464 1078258975 /nfs/dbraw/zinc/25/89/75/1078258975.db2.gz JBEVRVGVWSNVOZ-PNHOKKKMSA-N 1 2 415.921 2.571 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N[C@H](C)C[C@H](O)c2cccs2)[C@@H]1c1c[nH+]cn1C ZINC000793723864 1078266774 /nfs/dbraw/zinc/26/67/74/1078266774.db2.gz PETFQUUYIKJNLU-RNKNFESXSA-N 1 2 418.563 2.800 20 0 HFADLO CC1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C1)C2=O ZINC000793724641 1078266981 /nfs/dbraw/zinc/26/69/81/1078266981.db2.gz UWXHBNCLBMYZEG-IZCOPSDLSA-N 1 2 420.554 2.776 20 0 HFADLO CC1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C1)C2=O ZINC000793724641 1078266984 /nfs/dbraw/zinc/26/69/84/1078266984.db2.gz UWXHBNCLBMYZEG-IZCOPSDLSA-N 1 2 420.554 2.776 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000793744016 1078287899 /nfs/dbraw/zinc/28/78/99/1078287899.db2.gz FIAQXIIEFSFUEZ-IRLDBZIGSA-N 1 2 418.497 2.773 20 0 HFADLO O=C(NCCc1ccccc1C(F)(F)F)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000793790361 1078297331 /nfs/dbraw/zinc/29/73/31/1078297331.db2.gz LELCABGBRXLGLR-UHFFFAOYSA-N 1 2 416.403 2.866 20 0 HFADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)C2=O)cn1 ZINC000793787871 1078296559 /nfs/dbraw/zinc/29/65/59/1078296559.db2.gz FTJNYFPDQTVNDK-QAPCUYQASA-N 1 2 418.950 2.815 20 0 HFADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)C2=O)cn1 ZINC000793787871 1078296561 /nfs/dbraw/zinc/29/65/61/1078296561.db2.gz FTJNYFPDQTVNDK-QAPCUYQASA-N 1 2 418.950 2.815 20 0 HFADLO CCOc1ccc(CC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000793820398 1078316837 /nfs/dbraw/zinc/31/68/37/1078316837.db2.gz SLJFFBMJDVBIKD-UHFFFAOYSA-N 1 2 402.516 2.577 20 0 HFADLO Cc1cccc(CCNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000793827776 1078319359 /nfs/dbraw/zinc/31/93/59/1078319359.db2.gz PBCOOWNNMRSSME-UHFFFAOYSA-N 1 2 408.546 2.505 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2cccc3c2OCC[C@H]3O)[C@@H]1c1c[nH+]cn1C ZINC000793831679 1078320985 /nfs/dbraw/zinc/32/09/85/1078320985.db2.gz WSSDDYMTFJCMTG-XFQXTVEOSA-N 1 2 412.490 2.564 20 0 HFADLO CCOc1ccc(C[NH+]2CCN(C(=O)/C(=C\c3ccccc3)NC(C)=O)CC2)cc1 ZINC000794234526 1078389734 /nfs/dbraw/zinc/38/97/34/1078389734.db2.gz SASTZEIFDZZNMW-HAVVHWLPSA-N 1 2 407.514 2.907 20 0 HFADLO CC[N@@H+]1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)[C@@H](C)C1 ZINC000804380929 1078440203 /nfs/dbraw/zinc/44/02/03/1078440203.db2.gz YBJNLJJKVWYMSS-INIZCTEOSA-N 1 2 402.564 2.798 20 0 HFADLO CC[N@H+]1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)[C@@H](C)C1 ZINC000804380929 1078440208 /nfs/dbraw/zinc/44/02/08/1078440208.db2.gz YBJNLJJKVWYMSS-INIZCTEOSA-N 1 2 402.564 2.798 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804435315 1078478071 /nfs/dbraw/zinc/47/80/71/1078478071.db2.gz DKSZQCCNCHYCFG-BHIYHBOVSA-N 1 2 403.523 2.574 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000804436590 1078481982 /nfs/dbraw/zinc/48/19/82/1078481982.db2.gz QUKSTUUTYZZQDZ-RVZJWNSFSA-N 1 2 412.317 2.808 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 ZINC000804438981 1078484185 /nfs/dbraw/zinc/48/41/85/1078484185.db2.gz TVXDUVKSFHDYQC-HKUYNNGSSA-N 1 2 403.523 2.750 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000804440203 1078504742 /nfs/dbraw/zinc/50/47/42/1078504742.db2.gz VGELHELVXCDKGE-HOCLYGCPSA-N 1 2 405.495 2.674 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1CSC1=NCCS1 ZINC000804439921 1078504821 /nfs/dbraw/zinc/50/48/21/1078504821.db2.gz NHTYOCKMISEIMJ-WBVHZDCISA-N 1 2 405.589 2.958 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC001129823022 1078517965 /nfs/dbraw/zinc/51/79/65/1078517965.db2.gz PZSLNEWBWSJJAC-ROUUACIJSA-N 1 2 401.334 2.903 20 0 HFADLO C[C@@H]1CC[C@@H](CNC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)O1 ZINC001129519849 1078531245 /nfs/dbraw/zinc/53/12/45/1078531245.db2.gz LUXFWXQLMYBJML-MJGOQNOKSA-N 1 2 405.539 2.697 20 0 HFADLO C[C@@H]1CC[C@@H](CNC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)O1 ZINC001129519849 1078531252 /nfs/dbraw/zinc/53/12/52/1078531252.db2.gz LUXFWXQLMYBJML-MJGOQNOKSA-N 1 2 405.539 2.697 20 0 HFADLO CC(=O)c1ccc(-c2ccc(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)o2)cc1 ZINC001129555388 1078545879 /nfs/dbraw/zinc/54/58/79/1078545879.db2.gz LCMLIQCFUVODCN-UHFFFAOYSA-N 1 2 412.486 2.760 20 0 HFADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000804719702 1078558602 /nfs/dbraw/zinc/55/86/02/1078558602.db2.gz HKTWVRYMZHRPEC-INIZCTEOSA-N 1 2 422.982 2.600 20 0 HFADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000804719702 1078558606 /nfs/dbraw/zinc/55/86/06/1078558606.db2.gz HKTWVRYMZHRPEC-INIZCTEOSA-N 1 2 422.982 2.600 20 0 HFADLO C[C@@H]1CCC[C@@H](OCC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000804762434 1078613923 /nfs/dbraw/zinc/61/39/23/1078613923.db2.gz SPBLSGFGFIBCAH-GUDVDZBRSA-N 1 2 409.571 2.735 20 0 HFADLO Cc1ccccc1NCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760566 1078609143 /nfs/dbraw/zinc/60/91/43/1078609143.db2.gz MBUOVFPMEBZAMO-IBGZPJMESA-N 1 2 416.566 2.951 20 0 HFADLO CN(C)c1cccc(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804762890 1078616421 /nfs/dbraw/zinc/61/64/21/1078616421.db2.gz VGPTWGJKXVVAQU-LJQANCHMSA-N 1 2 402.539 2.520 20 0 HFADLO Cc1ccncc1/C=C\C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804765000 1078622201 /nfs/dbraw/zinc/62/22/01/1078622201.db2.gz RDSSSUPTVPVPHC-VOFKWLDRSA-N 1 2 400.523 2.557 20 0 HFADLO Cc1ccncc1/C=C\C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804764997 1078622223 /nfs/dbraw/zinc/62/22/23/1078622223.db2.gz RDSSSUPTVPVPHC-SFFCAUCYSA-N 1 2 400.523 2.557 20 0 HFADLO Cc1cc(C)c(CNC(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)c[nH+]1 ZINC001129714702 1078669643 /nfs/dbraw/zinc/66/96/43/1078669643.db2.gz RNIRAGCEHWPGHE-GFCCVEGCSA-N 1 2 416.275 2.762 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3nccc(C(F)(F)F)n3)C2)CC1 ZINC000804835640 1078677074 /nfs/dbraw/zinc/67/70/74/1078677074.db2.gz ZSKRJIOUNKDNQL-ZDUSSCGKSA-N 1 2 401.433 2.627 20 0 HFADLO Cc1nc(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc(C(F)(F)F)n1 ZINC000804835221 1078677660 /nfs/dbraw/zinc/67/76/60/1078677660.db2.gz QZYDFFFAJPPXKJ-AWEZNQCLSA-N 1 2 415.460 2.935 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)C2 ZINC000804860323 1078685960 /nfs/dbraw/zinc/68/59/60/1078685960.db2.gz YTONVBJOUIMADS-QFIPXVFZSA-N 1 2 424.586 2.530 20 0 HFADLO Cc1cccc(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804892267 1078750571 /nfs/dbraw/zinc/75/05/71/1078750571.db2.gz BUMINDQENWFWTF-IBGZPJMESA-N 1 2 402.539 2.832 20 0 HFADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000804902951 1078759360 /nfs/dbraw/zinc/75/93/60/1078759360.db2.gz XYBJPPCUOYAHHP-RDJZCZTQSA-N 1 2 403.527 2.879 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000804969974 1078806329 /nfs/dbraw/zinc/80/63/29/1078806329.db2.gz OOTVRKZHACTBDR-KNQAVFIVSA-N 1 2 400.567 2.724 20 0 HFADLO CC(=O)OCCCS(=O)(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000805046180 1078861818 /nfs/dbraw/zinc/86/18/18/1078861818.db2.gz HXGWGPXSIVXHIA-UHFFFAOYSA-N 1 2 414.527 2.657 20 0 HFADLO CC(=O)OCCCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000805061515 1078873609 /nfs/dbraw/zinc/87/36/09/1078873609.db2.gz KDLZGOFRKRLKGC-UHFFFAOYSA-N 1 2 423.362 2.830 20 0 HFADLO CCc1ccc([C@@H]2CCCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)cc1 ZINC000805097479 1078884982 /nfs/dbraw/zinc/88/49/82/1078884982.db2.gz HROXZXZALXUBBF-HXUWFJFHSA-N 1 2 421.607 2.647 20 0 HFADLO C[C@]1(c2ccccc2)CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000805098165 1078885510 /nfs/dbraw/zinc/88/55/10/1078885510.db2.gz QQWLSTANOMYYCD-QFIPXVFZSA-N 1 2 421.607 2.649 20 0 HFADLO Cc1ccc(NCCCNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)[nH+]c1 ZINC000805132623 1078930497 /nfs/dbraw/zinc/93/04/97/1078930497.db2.gz SCYGLGNKVLEIFX-DZKIICNBSA-N 1 2 415.460 2.679 20 0 HFADLO Cc1nc(C)c(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC000805154112 1078947987 /nfs/dbraw/zinc/94/79/87/1078947987.db2.gz HNMOAUPFELQWHE-MRXNPFEDSA-N 1 2 423.583 2.597 20 0 HFADLO CS[C@@H]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000805160407 1078952258 /nfs/dbraw/zinc/95/22/58/1078952258.db2.gz XYLQYQRJCBHAMF-GVDBMIGSSA-N 1 2 412.600 2.607 20 0 HFADLO Cc1cnc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC000805173034 1078958412 /nfs/dbraw/zinc/95/84/12/1078958412.db2.gz XISJBCPCKQXTNK-JKSUJKDBSA-N 1 2 423.583 2.849 20 0 HFADLO CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000805199855 1078972070 /nfs/dbraw/zinc/97/20/70/1078972070.db2.gz GQHWGHQHERZFIQ-KURKYZTESA-N 1 2 412.575 2.575 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc1F ZINC000747235524 1079006665 /nfs/dbraw/zinc/00/66/65/1079006665.db2.gz QKIZZQAXFPDMPR-QGZVFWFLSA-N 1 2 410.467 2.711 20 0 HFADLO C[C@H](CNC(=O)c1cc(F)ccc1I)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260632 1079125948 /nfs/dbraw/zinc/12/59/48/1079125948.db2.gz YMJDXGKNEWOEAB-UTUOFQBUSA-N 1 2 420.266 2.658 20 0 HFADLO C[C@H](CNC(=O)c1cc(F)ccc1I)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260632 1079125953 /nfs/dbraw/zinc/12/59/53/1079125953.db2.gz YMJDXGKNEWOEAB-UTUOFQBUSA-N 1 2 420.266 2.658 20 0 HFADLO C[C@@H](CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259351 1079147758 /nfs/dbraw/zinc/14/77/58/1079147758.db2.gz BJLMNUAWJAXTEI-MELADBBJSA-N 1 2 411.428 2.514 20 0 HFADLO C[C@@H](CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259351 1079147763 /nfs/dbraw/zinc/14/77/63/1079147763.db2.gz BJLMNUAWJAXTEI-MELADBBJSA-N 1 2 411.428 2.514 20 0 HFADLO C[C@@H](CNC(=O)c1ccc2cncc(Br)c2n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259616 1079148471 /nfs/dbraw/zinc/14/84/71/1079148471.db2.gz HTZHUPVWNDSPKP-RWMBFGLXSA-N 1 2 407.312 2.620 20 0 HFADLO C[C@@H](CNC(=O)c1ccc2cncc(Br)c2n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259616 1079148481 /nfs/dbraw/zinc/14/84/81/1079148481.db2.gz HTZHUPVWNDSPKP-RWMBFGLXSA-N 1 2 407.312 2.620 20 0 HFADLO COc1ccc(Br)c(S(=O)(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000747256219 1079193808 /nfs/dbraw/zinc/19/38/08/1079193808.db2.gz RTGPRBBBLORWJS-UHFFFAOYSA-N 1 2 415.309 2.957 20 0 HFADLO Cc1cccc(C)c1CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000805676662 1079214796 /nfs/dbraw/zinc/21/47/96/1079214796.db2.gz QHACYNMQHMDDOX-UHFFFAOYSA-N 1 2 408.546 2.771 20 0 HFADLO Cc1cccc(C)c1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000805679892 1079216592 /nfs/dbraw/zinc/21/65/92/1079216592.db2.gz RLKUXFXXWZQZJI-PMACEKPBSA-N 1 2 401.457 2.759 20 0 HFADLO Cc1cccc(C)c1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000805679892 1079216599 /nfs/dbraw/zinc/21/65/99/1079216599.db2.gz RLKUXFXXWZQZJI-PMACEKPBSA-N 1 2 401.457 2.759 20 0 HFADLO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787432 1079254057 /nfs/dbraw/zinc/25/40/57/1079254057.db2.gz POWAUPJEYPGGCL-RPUYLAQPSA-N 1 2 403.489 2.945 20 0 HFADLO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787432 1079254059 /nfs/dbraw/zinc/25/40/59/1079254059.db2.gz POWAUPJEYPGGCL-RPUYLAQPSA-N 1 2 403.489 2.945 20 0 HFADLO CC(C)=C[C@@H]1[C@@H](C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000805782855 1079251379 /nfs/dbraw/zinc/25/13/79/1079251379.db2.gz OYVAZBUOIRBGBH-IRLDBZIGSA-N 1 2 414.546 2.917 20 0 HFADLO COc1ccc(C(=O)NCCOC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000805946306 1079347176 /nfs/dbraw/zinc/34/71/76/1079347176.db2.gz CPTKQQVQNYNZJD-UHFFFAOYSA-N 1 2 417.531 2.645 20 0 HFADLO COc1cc(F)ccc1NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806189586 1079481108 /nfs/dbraw/zinc/48/11/08/1079481108.db2.gz LYSPLVIWZYOCIM-INIZCTEOSA-N 1 2 422.501 2.993 20 0 HFADLO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)[C@H](C)C1 ZINC000806192392 1079483111 /nfs/dbraw/zinc/48/31/11/1079483111.db2.gz SUEOFEQWVBGSAJ-CBGDNZLLSA-N 1 2 400.567 2.779 20 0 HFADLO COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000787351968 1076791616 /nfs/dbraw/zinc/79/16/16/1076791616.db2.gz IUQHDDKVGVKRDO-NVXWUHKLSA-N 1 2 421.538 2.698 20 0 HFADLO COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000787351968 1076791618 /nfs/dbraw/zinc/79/16/18/1076791618.db2.gz IUQHDDKVGVKRDO-NVXWUHKLSA-N 1 2 421.538 2.698 20 0 HFADLO Cn1c(SCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nc2sccc2c1=O ZINC000787488749 1076844663 /nfs/dbraw/zinc/84/46/63/1076844663.db2.gz VTRRLEYLFFUHHT-UHFFFAOYSA-N 1 2 410.565 2.640 20 0 HFADLO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c(=O)[nH]1 ZINC000787534115 1076851494 /nfs/dbraw/zinc/85/14/94/1076851494.db2.gz RXZDURUNXQWSCH-UHFFFAOYSA-N 1 2 405.296 2.862 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3cnc4[nH]cnc4c3)cc2Br)CC1 ZINC000787669870 1076905458 /nfs/dbraw/zinc/90/54/58/1076905458.db2.gz CYEJRRHVORSFLT-UHFFFAOYSA-N 1 2 415.295 2.725 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCCCCC3)cc2Br)CC1 ZINC000787876157 1076971651 /nfs/dbraw/zinc/97/16/51/1076971651.db2.gz FPUAWACXCVRALW-UHFFFAOYSA-N 1 2 423.355 2.542 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000787994622 1077021429 /nfs/dbraw/zinc/02/14/29/1077021429.db2.gz IVFCZOGKPYSCCY-NRFANRHFSA-N 1 2 402.495 2.810 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000787994622 1077021435 /nfs/dbraw/zinc/02/14/35/1077021435.db2.gz IVFCZOGKPYSCCY-NRFANRHFSA-N 1 2 402.495 2.810 20 0 HFADLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000787995741 1077021926 /nfs/dbraw/zinc/02/19/26/1077021926.db2.gz RCIBWKBGWHFSLR-OAQYLSRUSA-N 1 2 423.579 2.912 20 0 HFADLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000787995741 1077021931 /nfs/dbraw/zinc/02/19/31/1077021931.db2.gz RCIBWKBGWHFSLR-OAQYLSRUSA-N 1 2 423.579 2.912 20 0 HFADLO Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000787995750 1077022106 /nfs/dbraw/zinc/02/21/06/1077022106.db2.gz RKGUNZNHCPUIOO-HSZRJFAPSA-N 1 2 417.550 2.965 20 0 HFADLO Cc1cccc(OCCNC(=O)C[N@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000787995750 1077022113 /nfs/dbraw/zinc/02/21/13/1077022113.db2.gz RKGUNZNHCPUIOO-HSZRJFAPSA-N 1 2 417.550 2.965 20 0 HFADLO CC(C)n1ncc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1N ZINC000788019736 1077030295 /nfs/dbraw/zinc/03/02/95/1077030295.db2.gz VEUOFFPZAHERHS-UHFFFAOYSA-N 1 2 421.343 2.813 20 0 HFADLO COC(=O)NCCc1ccc(S(=O)(=O)Nc2ccccc2CC[NH+](C)C)s1 ZINC000788096373 1077057653 /nfs/dbraw/zinc/05/76/53/1077057653.db2.gz UFKITWYMKYBLEL-UHFFFAOYSA-N 1 2 411.549 2.552 20 0 HFADLO Cc1ccc(C(F)(F)F)cc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000746730475 1077069225 /nfs/dbraw/zinc/06/92/25/1077069225.db2.gz STJBWEQXISDBIE-UHFFFAOYSA-N 1 2 407.458 2.644 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000788153293 1077069937 /nfs/dbraw/zinc/06/99/37/1077069937.db2.gz FTSLJNBNLBAGLM-HXUWFJFHSA-N 1 2 415.453 2.707 20 0 HFADLO O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788243449 1077085737 /nfs/dbraw/zinc/08/57/37/1077085737.db2.gz MLTLNBKBWGTYQF-INIZCTEOSA-N 1 2 405.502 2.841 20 0 HFADLO O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788243449 1077085742 /nfs/dbraw/zinc/08/57/42/1077085742.db2.gz MLTLNBKBWGTYQF-INIZCTEOSA-N 1 2 405.502 2.841 20 0 HFADLO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000788246489 1077085968 /nfs/dbraw/zinc/08/59/68/1077085968.db2.gz RYWFOSXWGZWVFU-INIZCTEOSA-N 1 2 416.547 2.653 20 0 HFADLO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000788246489 1077085972 /nfs/dbraw/zinc/08/59/72/1077085972.db2.gz RYWFOSXWGZWVFU-INIZCTEOSA-N 1 2 416.547 2.653 20 0 HFADLO Cc1nc(-c2ccc(Br)cc2)nn1CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000788379641 1077135278 /nfs/dbraw/zinc/13/52/78/1077135278.db2.gz WQDCAZRDINVUPL-CQSZACIVSA-N 1 2 408.344 2.626 20 0 HFADLO O=C(Cc1nc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cs1)Nc1ccccc1 ZINC000788472397 1077170686 /nfs/dbraw/zinc/17/06/86/1077170686.db2.gz PNUBHNQNCDEFMF-HXUWFJFHSA-N 1 2 411.531 2.993 20 0 HFADLO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)=NO1 ZINC000788632917 1077238346 /nfs/dbraw/zinc/23/83/46/1077238346.db2.gz VDHIXLUTTLNLPK-AWEZNQCLSA-N 1 2 423.539 2.737 20 0 HFADLO CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)C1([NH+]3CCOCC3)CCC1)CC2 ZINC000791035888 1077278588 /nfs/dbraw/zinc/27/85/88/1077278588.db2.gz JVICXSMZISJQNR-UHFFFAOYSA-N 1 2 421.582 2.881 20 0 HFADLO O=C(CC1CC[NH+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1)NC1CCCC1 ZINC000788773680 1077297228 /nfs/dbraw/zinc/29/72/28/1077297228.db2.gz WWQOGIXKHVINHG-FQEVSTJZSA-N 1 2 411.546 2.723 20 0 HFADLO O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788832867 1077314530 /nfs/dbraw/zinc/31/45/30/1077314530.db2.gz RWARQSNVQMTJNH-CQSZACIVSA-N 1 2 400.378 2.669 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)/C=C\c3ccc(Br)o3)cc2C1 ZINC000788836759 1077315776 /nfs/dbraw/zinc/31/57/76/1077315776.db2.gz QOAQWRBEDMWQDG-XQRVVYSFSA-N 1 2 404.264 2.537 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)/C=C\c3ccc(Br)o3)cc2C1 ZINC000788836759 1077315781 /nfs/dbraw/zinc/31/57/81/1077315781.db2.gz QOAQWRBEDMWQDG-XQRVVYSFSA-N 1 2 404.264 2.537 20 0 HFADLO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc(-n3cc[nH+]c3)ccn2)cn1 ZINC000791137342 1077317377 /nfs/dbraw/zinc/31/73/77/1077317377.db2.gz NZJJFMZMJMVAAN-QFIPXVFZSA-N 1 2 416.485 2.860 20 0 HFADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788858240 1077335870 /nfs/dbraw/zinc/33/58/70/1077335870.db2.gz BKOOJZXLWZXAQD-WMZOPIPTSA-N 1 2 400.523 2.544 20 0 HFADLO O=C(Cn1nnc(-c2ccccc2)n1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791269969 1077353623 /nfs/dbraw/zinc/35/36/23/1077353623.db2.gz DHDTWPRFVRASCD-QGZVFWFLSA-N 1 2 405.506 2.785 20 0 HFADLO O=C(Cn1nnc(-c2ccccc2)n1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791269969 1077353624 /nfs/dbraw/zinc/35/36/24/1077353624.db2.gz DHDTWPRFVRASCD-QGZVFWFLSA-N 1 2 405.506 2.785 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CNS(=O)(=O)/C=C\c1ccccc1 ZINC000791298136 1077361506 /nfs/dbraw/zinc/36/15/06/1077361506.db2.gz UPLNCPSHHMNIIN-XFXZXTDPSA-N 1 2 411.483 2.814 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000791302389 1077364293 /nfs/dbraw/zinc/36/42/93/1077364293.db2.gz QGKGINFFWOAVLD-UHFFFAOYSA-N 1 2 418.453 2.989 20 0 HFADLO CNC(=O)c1ccc(CN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C2CC2)cc1 ZINC000746775794 1077365700 /nfs/dbraw/zinc/36/57/00/1077365700.db2.gz KBEFFTIDWNZQTG-UHFFFAOYSA-N 1 2 405.502 2.919 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000791320171 1077372949 /nfs/dbraw/zinc/37/29/49/1077372949.db2.gz PQTQFDNDIHMFNC-UHFFFAOYSA-N 1 2 415.471 2.915 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000791337265 1077378477 /nfs/dbraw/zinc/37/84/77/1077378477.db2.gz WCEUWMMHLBBSMJ-UHFFFAOYSA-N 1 2 417.462 2.927 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000789040499 1077391590 /nfs/dbraw/zinc/39/15/90/1077391590.db2.gz TTZPDNMFCJNJEF-IEBWSBKVSA-N 1 2 420.554 2.615 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000791417673 1077404092 /nfs/dbraw/zinc/40/40/92/1077404092.db2.gz FLNKWWOVCHWRLK-JOCHJYFZSA-N 1 2 404.426 2.592 20 0 HFADLO COC(=O)N1CCC([C@@H](C)NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000789210624 1077463855 /nfs/dbraw/zinc/46/38/55/1077463855.db2.gz KEUOKABOCNBYGN-MRXNPFEDSA-N 1 2 417.554 2.975 20 0 HFADLO COC(=O)N1CCC([C@H](C)NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000789210622 1077463950 /nfs/dbraw/zinc/46/39/50/1077463950.db2.gz KEUOKABOCNBYGN-INIZCTEOSA-N 1 2 417.554 2.975 20 0 HFADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)NC(=O)N[C@@H]1c1ccco1 ZINC000791582745 1077471647 /nfs/dbraw/zinc/47/16/47/1077471647.db2.gz COSJVJSEVOVVES-ZIBATOQPSA-N 1 2 401.385 2.723 20 0 HFADLO CCOC(=O)C1=C(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)NC(=O)N[C@@H]1c1ccco1 ZINC000791582745 1077471651 /nfs/dbraw/zinc/47/16/51/1077471651.db2.gz COSJVJSEVOVVES-ZIBATOQPSA-N 1 2 401.385 2.723 20 0 HFADLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000789339805 1077527672 /nfs/dbraw/zinc/52/76/72/1077527672.db2.gz HCXKQTJSARPPGQ-LLVKDONJSA-N 1 2 401.330 2.713 20 0 HFADLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000789339805 1077527676 /nfs/dbraw/zinc/52/76/76/1077527676.db2.gz HCXKQTJSARPPGQ-LLVKDONJSA-N 1 2 401.330 2.713 20 0 HFADLO Cc1ccc(CCC(=O)OCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)o1 ZINC000747037207 1077539343 /nfs/dbraw/zinc/53/93/43/1077539343.db2.gz UEAKYUUPFQRDJI-UHFFFAOYSA-N 1 2 414.506 2.634 20 0 HFADLO Cn1cc([C@H]2CN(C(=O)COc3cc(Cl)c(Cl)cc3Cl)CC[NH2+]2)cn1 ZINC001170102247 1077540064 /nfs/dbraw/zinc/54/00/64/1077540064.db2.gz PNYCXMIJHVEWIK-CQSZACIVSA-N 1 2 403.697 2.932 20 0 HFADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789369691 1077541553 /nfs/dbraw/zinc/54/15/53/1077541553.db2.gz AOJDCGSYXOBRBK-UZLBHIALSA-N 1 2 401.532 2.667 20 0 HFADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789369691 1077541559 /nfs/dbraw/zinc/54/15/59/1077541559.db2.gz AOJDCGSYXOBRBK-UZLBHIALSA-N 1 2 401.532 2.667 20 0 HFADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789375879 1077545086 /nfs/dbraw/zinc/54/50/86/1077545086.db2.gz XTGZQCNZHCLRBQ-GOSISDBHSA-N 1 2 422.982 2.893 20 0 HFADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789375879 1077545093 /nfs/dbraw/zinc/54/50/93/1077545093.db2.gz XTGZQCNZHCLRBQ-GOSISDBHSA-N 1 2 422.982 2.893 20 0 HFADLO CCCC(=O)NC[C@H]1CCC[N@H+](CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789422586 1077552859 /nfs/dbraw/zinc/55/28/59/1077552859.db2.gz DEPKGZUHIOYWGB-VGSWGCGISA-N 1 2 406.571 2.709 20 0 HFADLO CCCC(=O)NC[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789422586 1077552862 /nfs/dbraw/zinc/55/28/62/1077552862.db2.gz DEPKGZUHIOYWGB-VGSWGCGISA-N 1 2 406.571 2.709 20 0 HFADLO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000746823905 1077603359 /nfs/dbraw/zinc/60/33/59/1077603359.db2.gz GCMYKOKGSRIVEO-IEBWSBKVSA-N 1 2 405.539 2.507 20 0 HFADLO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000746823905 1077603362 /nfs/dbraw/zinc/60/33/62/1077603362.db2.gz GCMYKOKGSRIVEO-IEBWSBKVSA-N 1 2 405.539 2.507 20 0 HFADLO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cn1c2cnccc2n(Cc2ccccc2)c1=O ZINC000789521841 1077616513 /nfs/dbraw/zinc/61/65/13/1077616513.db2.gz UCHSTQTXYLCGHF-IBGZPJMESA-N 1 2 407.518 2.585 20 0 HFADLO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cn1c2cnccc2n(Cc2ccccc2)c1=O ZINC000789521841 1077616517 /nfs/dbraw/zinc/61/65/17/1077616517.db2.gz UCHSTQTXYLCGHF-IBGZPJMESA-N 1 2 407.518 2.585 20 0 HFADLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521928 1077616523 /nfs/dbraw/zinc/61/65/23/1077616523.db2.gz OEWLDFFGUQDBHX-KXBFYZLASA-N 1 2 412.465 2.595 20 0 HFADLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521928 1077616526 /nfs/dbraw/zinc/61/65/26/1077616526.db2.gz OEWLDFFGUQDBHX-KXBFYZLASA-N 1 2 412.465 2.595 20 0 HFADLO Cc1cccc(OCCNC(=O)[C@H](C)[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000789528806 1077624315 /nfs/dbraw/zinc/62/43/15/1077624315.db2.gz IPGPEKSJBHHUIR-SIKLNZKXSA-N 1 2 409.530 2.611 20 0 HFADLO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000789528806 1077624317 /nfs/dbraw/zinc/62/43/17/1077624317.db2.gz IPGPEKSJBHHUIR-SIKLNZKXSA-N 1 2 409.530 2.611 20 0 HFADLO CC(C)(C)Cc1nc2cc(NC(=O)C(=O)Nc3nc(Cl)cc(NN)[nH+]3)ccc2o1 ZINC000789599288 1077703253 /nfs/dbraw/zinc/70/32/53/1077703253.db2.gz NKPDQBFLWCPFQU-UHFFFAOYSA-N 1 2 417.857 2.723 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)[nH+]1 ZINC000789601284 1077704293 /nfs/dbraw/zinc/70/42/93/1077704293.db2.gz MSYIEPWUGYYENT-UHFFFAOYSA-N 1 2 424.717 2.647 20 0 HFADLO CC(C)Cn1ccc2cc(NC(=O)C(=O)Nc3nc(Cl)cc(NN)[nH+]3)ccc21 ZINC000789601543 1077705014 /nfs/dbraw/zinc/70/50/14/1077705014.db2.gz RGGBMYPGTMVAHR-UHFFFAOYSA-N 1 2 401.858 2.604 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)nc(=O)c2c1C ZINC000772792401 1077772198 /nfs/dbraw/zinc/77/21/98/1077772198.db2.gz BGKIAOZYHVBJBJ-KBPBESRZSA-N 1 2 405.520 2.861 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)nc(=O)c2c1C ZINC000772792401 1077772207 /nfs/dbraw/zinc/77/22/07/1077772207.db2.gz BGKIAOZYHVBJBJ-KBPBESRZSA-N 1 2 405.520 2.861 20 0 HFADLO CO[C@H]1Cc2ccc(NC(=O)C(=O)N3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2C1 ZINC000789798045 1077803232 /nfs/dbraw/zinc/80/32/32/1077803232.db2.gz XXOSAFZSHKAWEC-NRFANRHFSA-N 1 2 422.529 2.678 20 0 HFADLO Cc1cn2cc(NC(=O)C(=O)N(C)[C@@H](C)c3cccc(N4CCOC4=O)c3)ccc2[nH+]1 ZINC000789809745 1077821077 /nfs/dbraw/zinc/82/10/77/1077821077.db2.gz HRJKWUCFKNEZHV-HNNXBMFYSA-N 1 2 421.457 2.757 20 0 HFADLO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000792390656 1077831993 /nfs/dbraw/zinc/83/19/93/1077831993.db2.gz SZHSMAUFXGJDGB-UHFFFAOYSA-N 1 2 401.438 2.864 20 0 HFADLO O=C(NCc1cc(Br)cs1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000789878699 1077833092 /nfs/dbraw/zinc/83/30/92/1077833092.db2.gz SKFMPNTVYZEXRB-UHFFFAOYSA-N 1 2 419.304 2.629 20 0 HFADLO Cc1cc(N2CCN(C(=O)COC(=O)c3cc[nH]c3C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000792416968 1077848908 /nfs/dbraw/zinc/84/89/08/1077848908.db2.gz CMETXPPWEBMLSI-UHFFFAOYSA-N 1 2 411.506 2.620 20 0 HFADLO C[C@H]([NH2+]CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1nnnn1C1CC1 ZINC000792473461 1077873255 /nfs/dbraw/zinc/87/32/55/1077873255.db2.gz MJFPPXMFFFFMGM-KKSFZXQISA-N 1 2 402.502 2.833 20 0 HFADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)c1C ZINC000746863783 1077877813 /nfs/dbraw/zinc/87/78/13/1077877813.db2.gz BWUIIGFDSIRKRT-VXLYETTFSA-N 1 2 410.453 2.798 20 0 HFADLO CC(C)c1ccoc1C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000792617535 1077943875 /nfs/dbraw/zinc/94/38/75/1077943875.db2.gz ZCWXNINUGBEQMW-UHFFFAOYSA-N 1 2 412.486 2.839 20 0 HFADLO CCn1c2ccc(C(=O)Nc3cccc(-c4[nH]c(C)c(C)[nH+]4)c3)cc2[nH]c(=O)c1=O ZINC000746879775 1077948681 /nfs/dbraw/zinc/94/86/81/1077948681.db2.gz RKCUNHUBYVMBDQ-UHFFFAOYSA-N 1 2 403.442 2.969 20 0 HFADLO Cc1[nH]c(-c2cccc(NC(=O)CCc3c(C)nc4nc(N)nn4c3C)c2)[nH+]c1C ZINC000746880180 1077949176 /nfs/dbraw/zinc/94/91/76/1077949176.db2.gz WXPIYZJTZLUVMV-UHFFFAOYSA-N 1 2 404.478 2.902 20 0 HFADLO C[C@@H](CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790130608 1077951992 /nfs/dbraw/zinc/95/19/92/1077951992.db2.gz BANCUHJAPAQYON-ROUUACIJSA-N 1 2 411.587 2.839 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790130609 1077952063 /nfs/dbraw/zinc/95/20/63/1077952063.db2.gz BANCUHJAPAQYON-ZWKOTPCHSA-N 1 2 411.587 2.839 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000790130655 1077952065 /nfs/dbraw/zinc/95/20/65/1077952065.db2.gz BQYNIBDKHUNLNR-XXBNENTESA-N 1 2 412.530 2.868 20 0 HFADLO Cc1ccc(-n2nc(Br)cc2C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000790133054 1077953149 /nfs/dbraw/zinc/95/31/49/1077953149.db2.gz SSBLVTZPYMIFOJ-OAHLLOKOSA-N 1 2 421.339 2.736 20 0 HFADLO CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)c1=O ZINC000746882602 1077957465 /nfs/dbraw/zinc/95/74/65/1077957465.db2.gz COAAUVRIPLJLNY-UHFFFAOYSA-N 1 2 417.469 2.829 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccoc2COc2ccc(C=O)cc2)C[C@H](C)O1 ZINC000790120956 1077957939 /nfs/dbraw/zinc/95/79/39/1077957939.db2.gz AIWRLLCSNVOKAU-CALCHBBNSA-N 1 2 400.475 2.852 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccoc2COc2ccc(C=O)cc2)C[C@H](C)O1 ZINC000790120956 1077957940 /nfs/dbraw/zinc/95/79/40/1077957940.db2.gz AIWRLLCSNVOKAU-CALCHBBNSA-N 1 2 400.475 2.852 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccoc1COc1ccc(C=O)cc1 ZINC000790123652 1077958418 /nfs/dbraw/zinc/95/84/18/1077958418.db2.gz DCAPNAJJULWOSM-UHFFFAOYSA-N 1 2 400.475 2.854 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccoc1COc1ccc(C=O)cc1 ZINC000790123652 1077958419 /nfs/dbraw/zinc/95/84/19/1077958419.db2.gz DCAPNAJJULWOSM-UHFFFAOYSA-N 1 2 400.475 2.854 20 0 HFADLO CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000790159098 1077962306 /nfs/dbraw/zinc/96/23/06/1077962306.db2.gz RPGAMEFVFMSMSR-UHFFFAOYSA-N 1 2 408.502 2.767 20 0 HFADLO CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000790159098 1077962307 /nfs/dbraw/zinc/96/23/07/1077962307.db2.gz RPGAMEFVFMSMSR-UHFFFAOYSA-N 1 2 408.502 2.767 20 0 HFADLO Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000790253797 1077977594 /nfs/dbraw/zinc/97/75/94/1077977594.db2.gz OVAUWFKONSDVLZ-NRFANRHFSA-N 1 2 403.486 2.781 20 0 HFADLO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000790320476 1077996616 /nfs/dbraw/zinc/99/66/16/1077996616.db2.gz RSRFOIYDFHEVHC-CABCVRRESA-N 1 2 400.516 2.835 20 0 HFADLO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000790320476 1077996618 /nfs/dbraw/zinc/99/66/18/1077996618.db2.gz RSRFOIYDFHEVHC-CABCVRRESA-N 1 2 400.516 2.835 20 0 HFADLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000747088545 1078001374 /nfs/dbraw/zinc/00/13/74/1078001374.db2.gz RVNBZQSTJGNLQB-UHFFFAOYSA-N 1 2 417.483 2.803 20 0 HFADLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000747088545 1078001381 /nfs/dbraw/zinc/00/13/81/1078001381.db2.gz RVNBZQSTJGNLQB-UHFFFAOYSA-N 1 2 417.483 2.803 20 0 HFADLO Cc1ccc(N(C(=O)C[N@@H+]2CCCCC[C@H]2CCO)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000792928081 1078027618 /nfs/dbraw/zinc/02/76/18/1078027618.db2.gz RTSXUGRYGWQLIP-FPOVZHCZSA-N 1 2 420.575 2.574 20 0 HFADLO Cc1ccc(N(C(=O)C[N@H+]2CCCCC[C@H]2CCO)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000792928081 1078027624 /nfs/dbraw/zinc/02/76/24/1078027624.db2.gz RTSXUGRYGWQLIP-FPOVZHCZSA-N 1 2 420.575 2.574 20 0 HFADLO Cc1ccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)nc1Br ZINC000792956170 1078035139 /nfs/dbraw/zinc/03/51/39/1078035139.db2.gz LHQVHTLODIWJNW-GFCCVEGCSA-N 1 2 408.300 2.519 20 0 HFADLO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000792961396 1078036372 /nfs/dbraw/zinc/03/63/72/1078036372.db2.gz XJDULPGRXOWCOD-AWEZNQCLSA-N 1 2 419.353 2.786 20 0 HFADLO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)Cn1cc2[nH]cccc-2c1=O ZINC000790456196 1078036890 /nfs/dbraw/zinc/03/68/90/1078036890.db2.gz TWYXKCBYXSCBNP-UHFFFAOYSA-N 1 2 418.291 2.823 20 0 HFADLO COC(=O)CC[N@H+](Cc1cccc(Br)c1)Cn1cc2[nH]cccc-2c1=O ZINC000790456196 1078036897 /nfs/dbraw/zinc/03/68/97/1078036897.db2.gz TWYXKCBYXSCBNP-UHFFFAOYSA-N 1 2 418.291 2.823 20 0 HFADLO CC(C)(C)OC(=O)N1CC=C(CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000793020229 1078039644 /nfs/dbraw/zinc/03/96/44/1078039644.db2.gz YQSYSUVAIKERPR-SFHVURJKSA-N 1 2 415.538 2.917 20 0 HFADLO C[C@H]1CCSCC[N@@H+]1Cn1nc(N2CCOCC2)n(CC(F)(F)F)c1=S ZINC000790476876 1078040379 /nfs/dbraw/zinc/04/03/79/1078040379.db2.gz HGKJMOUFDRNHJZ-LBPRGKRZSA-N 1 2 411.519 2.598 20 0 HFADLO C[C@H]1CCSCC[N@H+]1Cn1nc(N2CCOCC2)n(CC(F)(F)F)c1=S ZINC000790476876 1078040385 /nfs/dbraw/zinc/04/03/85/1078040385.db2.gz HGKJMOUFDRNHJZ-LBPRGKRZSA-N 1 2 411.519 2.598 20 0 HFADLO CC(C)OC(=O)NCc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000806275579 1079538804 /nfs/dbraw/zinc/53/88/04/1079538804.db2.gz LXXZAHGBTLVEMW-APWZRJJASA-N 1 2 404.511 2.648 20 0 HFADLO CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000806302551 1079555797 /nfs/dbraw/zinc/55/57/97/1079555797.db2.gz FRMBGNQRAUBRMC-IBGZPJMESA-N 1 2 424.586 2.530 20 0 HFADLO CC(C)Cn1cc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000806313251 1079565843 /nfs/dbraw/zinc/56/58/43/1079565843.db2.gz LOQYMOCGJXAPHC-GOSISDBHSA-N 1 2 420.558 2.698 20 0 HFADLO CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000747320040 1079576162 /nfs/dbraw/zinc/57/61/62/1079576162.db2.gz OTLCWASGKVGAKB-UHFFFAOYSA-N 1 2 421.586 2.641 20 0 HFADLO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C)n1 ZINC000806344800 1079616947 /nfs/dbraw/zinc/61/69/47/1079616947.db2.gz MAPGFMJCSXGJDI-QGZVFWFLSA-N 1 2 403.527 2.857 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000806357565 1079646142 /nfs/dbraw/zinc/64/61/42/1079646142.db2.gz ITWDWAUEDXKBGX-QGZVFWFLSA-N 1 2 419.526 2.749 20 0 HFADLO CSc1ccc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)nc1 ZINC000806406104 1079694430 /nfs/dbraw/zinc/69/44/30/1079694430.db2.gz GGMFKNGMXCNVOY-HNNXBMFYSA-N 1 2 421.567 2.962 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCc3ccc(F)c(F)c3)CC2)C1 ZINC000806539626 1079777842 /nfs/dbraw/zinc/77/78/42/1079777842.db2.gz UAQVQOAMLVESCC-INIZCTEOSA-N 1 2 424.492 2.801 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCc3ccc(F)c(F)c3)CC2)C1 ZINC000806539627 1079777972 /nfs/dbraw/zinc/77/79/72/1079777972.db2.gz UAQVQOAMLVESCC-MRXNPFEDSA-N 1 2 424.492 2.801 20 0 HFADLO CC1CCC(OC2CC[NH+](CCS(=O)(=O)CC(=O)OC(C)(C)C)CC2)CC1 ZINC000806628522 1079885246 /nfs/dbraw/zinc/88/52/46/1079885246.db2.gz HPRJJYBBGNDLFG-UHFFFAOYSA-N 1 2 403.585 2.803 20 0 HFADLO Cc1cccc(CCNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000806648099 1079903312 /nfs/dbraw/zinc/90/33/12/1079903312.db2.gz PQLYMPRDUCSHER-HXUWFJFHSA-N 1 2 416.566 2.874 20 0 HFADLO C[C@H](NC(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000806741460 1079942101 /nfs/dbraw/zinc/94/21/01/1079942101.db2.gz KCYZOXGRTYCJKW-UFYCRDLUSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@@H](NC(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000806741458 1079942114 /nfs/dbraw/zinc/94/21/14/1079942114.db2.gz KCYZOXGRTYCJKW-AQNXPRMDSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccc(O)c1 ZINC000806792955 1080013541 /nfs/dbraw/zinc/01/35/41/1080013541.db2.gz HGYVESDSCRYIOS-WMZOPIPTSA-N 1 2 418.538 2.790 20 0 HFADLO Cc1noc(C)c1[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806807640 1080022826 /nfs/dbraw/zinc/02/28/26/1080022826.db2.gz QEIGXVXTZXQKNN-RHSMWYFYSA-N 1 2 421.542 2.689 20 0 HFADLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000806835164 1080048478 /nfs/dbraw/zinc/04/84/78/1080048478.db2.gz KNRFYZXJSMDZQV-LRDDRELGSA-N 1 2 419.394 2.599 20 0 HFADLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000806835164 1080048486 /nfs/dbraw/zinc/04/84/86/1080048486.db2.gz KNRFYZXJSMDZQV-LRDDRELGSA-N 1 2 419.394 2.599 20 0 HFADLO CC[C@@H](NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)C1CCOCC1 ZINC000806896471 1080102625 /nfs/dbraw/zinc/10/26/25/1080102625.db2.gz ULLQWVUPUUFYON-RBUKOAKNSA-N 1 2 424.586 2.528 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC3CCC(F)(F)CC3)C2)CC1 ZINC000807038274 1080228509 /nfs/dbraw/zinc/22/85/09/1080228509.db2.gz LLGAGRCNAZSBNN-MRXNPFEDSA-N 1 2 416.513 2.901 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)CCSC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807059082 1080240970 /nfs/dbraw/zinc/24/09/70/1080240970.db2.gz HCHJCUQUKRZGRT-OAUYIBNBSA-N 1 2 415.962 2.988 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)CCSC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807059082 1080240977 /nfs/dbraw/zinc/24/09/77/1080240977.db2.gz HCHJCUQUKRZGRT-OAUYIBNBSA-N 1 2 415.962 2.988 20 0 HFADLO CC(C)[C@@H]1C[C@@H](NC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCO1 ZINC000807066276 1080248910 /nfs/dbraw/zinc/24/89/10/1080248910.db2.gz INBAWEJNJSLBQB-FHWLQOOXSA-N 1 2 424.586 2.527 20 0 HFADLO O=C(N[C@@H](c1ccccc1)C1CCOCC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000807088712 1080266203 /nfs/dbraw/zinc/26/62/03/1080266203.db2.gz RXMQQGNHHXHMPV-QHCPKHFHSA-N 1 2 421.541 2.615 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC000807280692 1080439346 /nfs/dbraw/zinc/43/93/46/1080439346.db2.gz MVYRTJRFMMWQSV-OAHLLOKOSA-N 1 2 400.822 2.695 20 0 HFADLO CCc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(=O)OC)c2c(CC(C)(C)C)noc2n1 ZINC000807281611 1080441693 /nfs/dbraw/zinc/44/16/93/1080441693.db2.gz YBCGPOHQEWPMEQ-MRXNPFEDSA-N 1 2 413.478 2.542 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1cc(Cl)ccc1Br ZINC000807284028 1080443130 /nfs/dbraw/zinc/44/31/30/1080443130.db2.gz HTPVTWDHWOQOEV-AWEZNQCLSA-N 1 2 414.687 2.590 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000807283845 1080443153 /nfs/dbraw/zinc/44/31/53/1080443153.db2.gz LBEDLBHCJGLWNN-INIZCTEOSA-N 1 2 402.248 2.770 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1csc2ccc(Br)cc12 ZINC000807285550 1080447666 /nfs/dbraw/zinc/44/76/66/1080447666.db2.gz XYXZUDRHFSKIPH-CQSZACIVSA-N 1 2 422.304 2.761 20 0 HFADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C(N)=O)c(Cl)n2)[C@H](C)C1 ZINC000807473857 1080726077 /nfs/dbraw/zinc/72/60/77/1080726077.db2.gz ZDUKMAQHHDAFDB-CQSZACIVSA-N 1 2 416.909 2.579 20 0 HFADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C(N)=O)c(Cl)n2)[C@H](C)C1 ZINC000807473857 1080726080 /nfs/dbraw/zinc/72/60/80/1080726080.db2.gz ZDUKMAQHHDAFDB-CQSZACIVSA-N 1 2 416.909 2.579 20 0 HFADLO CC(C)(C)OC(=O)NCc1nc(C[NH2+][C@@](C)(CO)Cc2ccc(Cl)cc2)no1 ZINC001560182928 1126208782 /nfs/dbraw/zinc/20/87/82/1126208782.db2.gz JUQPMIGCTKGXOM-LJQANCHMSA-N 1 2 410.902 2.831 20 0 HFADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC001164636304 719224935 /nfs/dbraw/zinc/22/49/35/719224935.db2.gz JRGFMXJPMVIBQA-JKSUJKDBSA-N 1 2 404.536 2.810 20 0 HFADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC001164636304 719224944 /nfs/dbraw/zinc/22/49/44/719224944.db2.gz JRGFMXJPMVIBQA-JKSUJKDBSA-N 1 2 404.536 2.810 20 0 HFADLO O=C(NC1CC1)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673996 719510774 /nfs/dbraw/zinc/51/07/74/719510774.db2.gz XTRHKPNBIDTFCL-UHFFFAOYSA-N 1 2 424.520 2.984 20 0 HFADLO O=C(NC1CC1)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673996 719510782 /nfs/dbraw/zinc/51/07/82/719510782.db2.gz XTRHKPNBIDTFCL-UHFFFAOYSA-N 1 2 424.520 2.984 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccsc21 ZINC001164703876 719846236 /nfs/dbraw/zinc/84/62/36/719846236.db2.gz QWQWNPZTIGKFHP-KZULUSFZSA-N 1 2 410.927 2.577 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(C)cc2nc1Cl ZINC001164706851 719851615 /nfs/dbraw/zinc/85/16/15/719851615.db2.gz ZAQGPYGLAZJBBM-VFNWGFHPSA-N 1 2 418.925 2.824 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cc(Cl)cnc2n1 ZINC001164704657 719851670 /nfs/dbraw/zinc/85/16/70/719851670.db2.gz SEBVRAPGKLGDJN-UZLBHIALSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(C)(C)C)nc(Cl)c1C ZINC001164702299 719867518 /nfs/dbraw/zinc/86/75/18/719867518.db2.gz IDYPWTQXEFTMJS-QVKFZJNVSA-N 1 2 424.973 2.969 20 0 HFADLO CCc1ccc(-c2ccc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nn2)cc1 ZINC001164708528 719872437 /nfs/dbraw/zinc/87/24/37/719872437.db2.gz ZRVOEWZKEHCMEO-GBXCKJPGSA-N 1 2 424.545 2.939 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc(F)c2)nn1 ZINC001164699929 719872492 /nfs/dbraw/zinc/87/24/92/719872492.db2.gz CYUQEVXWGHMDPM-GCJKJVERSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C2CCC2)nc(Cl)c1C ZINC001164699106 719877599 /nfs/dbraw/zinc/87/75/99/719877599.db2.gz ADTLAHLPCMPEEW-IERDGZPVSA-N 1 2 422.957 2.939 20 0 HFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(Cl)ncc1F)C2 ZINC001164858759 720895927 /nfs/dbraw/zinc/89/59/27/720895927.db2.gz OVJWUWLTTAHGTI-UHFFFAOYSA-N 1 2 424.814 2.631 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1COC3(C)C)C2 ZINC001165011662 721700161 /nfs/dbraw/zinc/70/01/61/721700161.db2.gz UNPYZOTUTAKTIO-UHFFFAOYSA-N 1 2 405.934 2.737 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1COC3(C)C)C2 ZINC001165011662 721700172 /nfs/dbraw/zinc/70/01/72/721700172.db2.gz UNPYZOTUTAKTIO-UHFFFAOYSA-N 1 2 405.934 2.737 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001165008035 721715270 /nfs/dbraw/zinc/71/52/70/721715270.db2.gz AJXBQRZYSZAIOE-UHFFFAOYSA-N 1 2 424.887 2.998 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)C2 ZINC001165008035 721715275 /nfs/dbraw/zinc/71/52/75/721715275.db2.gz AJXBQRZYSZAIOE-UHFFFAOYSA-N 1 2 424.887 2.998 20 0 HFADLO COC(=O)c1cc2ccccc2c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165008310 721715435 /nfs/dbraw/zinc/71/54/35/721715435.db2.gz DWMJIZXGWAHPIU-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO COC(=O)c1cc2ccccc2c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165008310 721715437 /nfs/dbraw/zinc/71/54/37/721715437.db2.gz DWMJIZXGWAHPIU-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO CCCSc1ncnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1OC ZINC001165011534 721720461 /nfs/dbraw/zinc/72/04/61/721720461.db2.gz RMKFZLAJBYMWPV-UHFFFAOYSA-N 1 2 405.572 2.829 20 0 HFADLO CCCSc1ncnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1OC ZINC001165011534 721720468 /nfs/dbraw/zinc/72/04/68/721720468.db2.gz RMKFZLAJBYMWPV-UHFFFAOYSA-N 1 2 405.572 2.829 20 0 HFADLO Clc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C2CC2)n1 ZINC001164912102 721771805 /nfs/dbraw/zinc/77/18/05/721771805.db2.gz KHNYTCLMSFHIMX-NRFANRHFSA-N 1 2 415.925 2.510 20 0 HFADLO Clc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C2CC2)n1 ZINC001164912102 721771808 /nfs/dbraw/zinc/77/18/08/721771808.db2.gz KHNYTCLMSFHIMX-NRFANRHFSA-N 1 2 415.925 2.510 20 0 HFADLO c1ccc(-c2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164915308 721793206 /nfs/dbraw/zinc/79/32/06/721793206.db2.gz WBKYZURLJCNSCA-DEOSSOPVSA-N 1 2 417.513 2.646 20 0 HFADLO c1ccc(-c2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164915308 721793209 /nfs/dbraw/zinc/79/32/09/721793209.db2.gz WBKYZURLJCNSCA-DEOSSOPVSA-N 1 2 417.513 2.646 20 0 HFADLO c1ccc(-c2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cn2)cc1 ZINC001164914019 721793722 /nfs/dbraw/zinc/79/37/22/721793722.db2.gz KBCBQICNQLNJJT-XMMPIXPASA-N 1 2 417.513 2.646 20 0 HFADLO c1ccc(-c2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cn2)cc1 ZINC001164914019 721793723 /nfs/dbraw/zinc/79/37/23/721793723.db2.gz KBCBQICNQLNJJT-XMMPIXPASA-N 1 2 417.513 2.646 20 0 HFADLO c1csc(-c2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)c1 ZINC001164914677 721796029 /nfs/dbraw/zinc/79/60/29/721796029.db2.gz PPQCBZHOHCYMHH-QFIPXVFZSA-N 1 2 423.542 2.708 20 0 HFADLO c1csc(-c2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)c1 ZINC001164914677 721796033 /nfs/dbraw/zinc/79/60/33/721796033.db2.gz PPQCBZHOHCYMHH-QFIPXVFZSA-N 1 2 423.542 2.708 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncccc2C(=O)N2CCC(C)CC2)CC1 ZINC001164917203 721819056 /nfs/dbraw/zinc/81/90/56/721819056.db2.gz DJCVHGUBTIQCDC-UHFFFAOYSA-N 1 2 422.577 2.900 20 0 HFADLO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)c1ncc(C)n1CC[N@H+]2C ZINC001164918230 721821596 /nfs/dbraw/zinc/82/15/96/721821596.db2.gz DKIWYHRPJTUZOB-UHFFFAOYSA-N 1 2 412.872 2.630 20 0 HFADLO COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)c1ncc(C)n1CC[N@@H+]2C ZINC001164918230 721821598 /nfs/dbraw/zinc/82/15/98/721821598.db2.gz DKIWYHRPJTUZOB-UHFFFAOYSA-N 1 2 412.872 2.630 20 0 HFADLO Cc1nc(CN2CCOC[C@]3(CN(c4cccc(C5CC5)[nH+]4)CCO3)C2)cs1 ZINC001164926176 721834254 /nfs/dbraw/zinc/83/42/54/721834254.db2.gz QPBPIBIHNCJILH-OAQYLSRUSA-N 1 2 400.548 2.832 20 0 HFADLO COc1cc2c[nH+]c(N3C[C@@H]4[C@H](C3)OCCN4Cc3c(C)noc3C)cc2cc1OC ZINC001164942864 721958484 /nfs/dbraw/zinc/95/84/84/721958484.db2.gz GEPITSGGXIHMTI-KNQAVFIVSA-N 1 2 424.501 2.946 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN([C@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164948202 721973613 /nfs/dbraw/zinc/97/36/13/721973613.db2.gz VGAQOXCBWWIHHF-FQEVSTJZSA-N 1 2 418.900 2.834 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN([C@H](F)Oc1ccc(Cl)nc1)CC2 ZINC001164948202 721973615 /nfs/dbraw/zinc/97/36/15/721973615.db2.gz VGAQOXCBWWIHHF-FQEVSTJZSA-N 1 2 418.900 2.834 20 0 HFADLO Cc1cccc2c1C[C@H](C(=O)N1CC[NH2+][C@H](c3cn[nH]c3)C1)N2C(=O)OC(C)(C)C ZINC001170138786 1078048291 /nfs/dbraw/zinc/04/82/91/1078048291.db2.gz FJDXXBNSIPTDOL-PKOBYXMFSA-N 1 2 411.506 2.557 20 0 HFADLO O=C(c1cccc(Nc2nccc(C(F)(F)F)n2)c1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001170139318 1078048560 /nfs/dbraw/zinc/04/85/60/1078048560.db2.gz GNFZXRUBKGMAIL-OAHLLOKOSA-N 1 2 417.395 2.749 20 0 HFADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)CC1 ZINC000793027796 1078059222 /nfs/dbraw/zinc/05/92/22/1078059222.db2.gz UXERUFDKPXWUFR-UHFFFAOYSA-N 1 2 418.538 2.626 20 0 HFADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2C)CC1 ZINC000793027796 1078059226 /nfs/dbraw/zinc/05/92/26/1078059226.db2.gz UXERUFDKPXWUFR-UHFFFAOYSA-N 1 2 418.538 2.626 20 0 HFADLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747100659 1078064746 /nfs/dbraw/zinc/06/47/46/1078064746.db2.gz NSMFLVGWUMEBLQ-INIZCTEOSA-N 1 2 412.412 2.693 20 0 HFADLO CC(C)Cc1ccccc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000790631395 1078068151 /nfs/dbraw/zinc/06/81/51/1078068151.db2.gz DYWNBPGFEMTRRK-HXUWFJFHSA-N 1 2 423.561 2.911 20 0 HFADLO CC(C)Cc1ccccc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000790631395 1078068157 /nfs/dbraw/zinc/06/81/57/1078068157.db2.gz DYWNBPGFEMTRRK-HXUWFJFHSA-N 1 2 423.561 2.911 20 0 HFADLO CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2COC(=O)N2CCCC2)cc1 ZINC001170141358 1078073572 /nfs/dbraw/zinc/07/35/72/1078073572.db2.gz VKWLZCFCZGUWQB-IBGZPJMESA-N 1 2 417.506 2.889 20 0 HFADLO CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@H]2COC(=O)N2CCCC2)cc1 ZINC001170141358 1078073577 /nfs/dbraw/zinc/07/35/77/1078073577.db2.gz VKWLZCFCZGUWQB-IBGZPJMESA-N 1 2 417.506 2.889 20 0 HFADLO C[C@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3cn(-c4ccccc4)nn3)c2)C1=O ZINC000790610362 1078074579 /nfs/dbraw/zinc/07/45/79/1078074579.db2.gz OGMXRRUEJUKGMG-HSZRJFAPSA-N 1 2 416.485 2.782 20 0 HFADLO C[C@@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3cn(-c4ccccc4)nn3)c2)C1=O ZINC000790610363 1078074721 /nfs/dbraw/zinc/07/47/21/1078074721.db2.gz OGMXRRUEJUKGMG-QHCPKHFHSA-N 1 2 416.485 2.782 20 0 HFADLO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cn(-c4ccccc4)nn3)cc2)C1=O ZINC000790611147 1078074923 /nfs/dbraw/zinc/07/49/23/1078074923.db2.gz UPVXDCBEJZBKPQ-HSZRJFAPSA-N 1 2 416.485 2.782 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000793104987 1078079377 /nfs/dbraw/zinc/07/93/77/1078079377.db2.gz IASVLMQEBWNRRD-UHFFFAOYSA-N 1 2 400.385 2.896 20 0 HFADLO O=C(Cc1ccc(Cl)c(F)c1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000790713772 1078105242 /nfs/dbraw/zinc/10/52/42/1078105242.db2.gz VHYGCDPVBIJVNM-UHFFFAOYSA-N 1 2 410.898 2.971 20 0 HFADLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)OCCc1c[nH+]cn1C ZINC000793239532 1078108398 /nfs/dbraw/zinc/10/83/98/1078108398.db2.gz CJRCJWXPJVGQFY-MRXNPFEDSA-N 1 2 405.520 2.691 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000793250424 1078110393 /nfs/dbraw/zinc/11/03/93/1078110393.db2.gz NAMSWJMRZJUKTI-UHFFFAOYSA-N 1 2 411.483 2.571 20 0 HFADLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CCO1 ZINC000793329653 1078139136 /nfs/dbraw/zinc/13/91/36/1078139136.db2.gz QWBKSWBBJFGTIR-MRXNPFEDSA-N 1 2 403.523 2.825 20 0 HFADLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CCO1 ZINC000793329653 1078139139 /nfs/dbraw/zinc/13/91/39/1078139139.db2.gz QWBKSWBBJFGTIR-MRXNPFEDSA-N 1 2 403.523 2.825 20 0 HFADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2nc(Br)ccc2Br)C1 ZINC000790818553 1078153922 /nfs/dbraw/zinc/15/39/22/1078153922.db2.gz PRVGHNBZCRVEOL-SECBINFHSA-N 1 2 414.101 2.970 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000793381451 1078160718 /nfs/dbraw/zinc/16/07/18/1078160718.db2.gz FMZZJKGAUVRORL-CYBMUJFWSA-N 1 2 405.524 2.953 20 0 HFADLO C[N@@H+]1CCN(C(=O)NCCCc2ccccc2F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793464343 1078180630 /nfs/dbraw/zinc/18/06/30/1078180630.db2.gz NRTQMYCTAJSKJO-QGZVFWFLSA-N 1 2 408.518 2.609 20 0 HFADLO C[N@H+]1CCN(C(=O)NCCCc2ccccc2F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793464343 1078180632 /nfs/dbraw/zinc/18/06/32/1078180632.db2.gz NRTQMYCTAJSKJO-QGZVFWFLSA-N 1 2 408.518 2.609 20 0 HFADLO CCOc1ccnc(N2CCC[N@H+](CN3CC[C@@H](CCc4ccccc4)C3=O)CC2)n1 ZINC000793503669 1078204686 /nfs/dbraw/zinc/20/46/86/1078204686.db2.gz JBBNUVDUOCTCKB-OAQYLSRUSA-N 1 2 423.561 2.826 20 0 HFADLO CCOc1ccnc(N2CCC[N@@H+](CN3CC[C@@H](CCc4ccccc4)C3=O)CC2)n1 ZINC000793503669 1078204689 /nfs/dbraw/zinc/20/46/89/1078204689.db2.gz JBBNUVDUOCTCKB-OAQYLSRUSA-N 1 2 423.561 2.826 20 0 HFADLO CCOC1(C)CC[NH+](Cn2nc(N3CCOCC3)n(CC(F)(F)F)c2=S)CC1 ZINC000793542462 1078207234 /nfs/dbraw/zinc/20/72/34/1078207234.db2.gz CBVYOBRXDRJWJO-UHFFFAOYSA-N 1 2 423.505 2.661 20 0 HFADLO CC[C@]1(c2cnn(C)c2)NC(=O)N(C[NH+]2CCC(c3ccc(F)cc3C)CC2)C1=O ZINC000793548269 1078207838 /nfs/dbraw/zinc/20/78/38/1078207838.db2.gz VUYMHHKWOLBZMY-JOCHJYFZSA-N 1 2 413.497 2.862 20 0 HFADLO C[N@H+](Cn1ncc2cccc(OCc3ccccc3)c21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793589292 1078216241 /nfs/dbraw/zinc/21/62/41/1078216241.db2.gz NMZRELZAFXMEJT-IBGZPJMESA-N 1 2 414.531 2.539 20 0 HFADLO C[N@@H+](Cn1ncc2cccc(OCc3ccccc3)c21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793589292 1078216243 /nfs/dbraw/zinc/21/62/43/1078216243.db2.gz NMZRELZAFXMEJT-IBGZPJMESA-N 1 2 414.531 2.539 20 0 HFADLO C[N@H+](Cn1ncc2ccc(OCc3ccccc3)cc21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793567832 1078211648 /nfs/dbraw/zinc/21/16/48/1078211648.db2.gz MQYOMLQVEKTYEI-IBGZPJMESA-N 1 2 414.531 2.539 20 0 HFADLO C[N@@H+](Cn1ncc2ccc(OCc3ccccc3)cc21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793567832 1078211649 /nfs/dbraw/zinc/21/16/49/1078211649.db2.gz MQYOMLQVEKTYEI-IBGZPJMESA-N 1 2 414.531 2.539 20 0 HFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000793592198 1078217645 /nfs/dbraw/zinc/21/76/45/1078217645.db2.gz OYDUVIURGMHIEX-GOSISDBHSA-N 1 2 415.969 2.713 20 0 HFADLO C[N@@H+]1CCN(Cc2ncc(Br)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604132 1078221601 /nfs/dbraw/zinc/22/16/01/1078221601.db2.gz OKHIADGWRMTCFV-LLVKDONJSA-N 1 2 405.362 2.546 20 0 HFADLO C[N@H+]1CCN(Cc2ncc(Br)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604132 1078221605 /nfs/dbraw/zinc/22/16/05/1078221605.db2.gz OKHIADGWRMTCFV-LLVKDONJSA-N 1 2 405.362 2.546 20 0 HFADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)N[C@H](C)COc2ccccc2)c(C)c1 ZINC000793684377 1078254131 /nfs/dbraw/zinc/25/41/31/1078254131.db2.gz ADKZFBNZLFFEHQ-KNQAVFIVSA-N 1 2 420.513 2.941 20 0 HFADLO CC(C)[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793721964 1078265883 /nfs/dbraw/zinc/26/58/83/1078265883.db2.gz NTGYOXMGSFUGHT-ULYRPOKDSA-N 1 2 420.554 2.632 20 0 HFADLO CC(C)[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793721964 1078265889 /nfs/dbraw/zinc/26/58/89/1078265889.db2.gz NTGYOXMGSFUGHT-ULYRPOKDSA-N 1 2 420.554 2.632 20 0 HFADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000793726066 1078267530 /nfs/dbraw/zinc/26/75/30/1078267530.db2.gz MVKAWPKBDJVIQP-INIZCTEOSA-N 1 2 408.424 2.814 20 0 HFADLO Cc1ccc(C(=O)CCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000793756837 1078278922 /nfs/dbraw/zinc/27/89/22/1078278922.db2.gz PLHOEESALKGLMH-UHFFFAOYSA-N 1 2 414.527 2.907 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000793811970 1078315079 /nfs/dbraw/zinc/31/50/79/1078315079.db2.gz NVSMYJZCHFHLKK-GCJKJVERSA-N 1 2 409.571 2.783 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000793811970 1078315081 /nfs/dbraw/zinc/31/50/81/1078315081.db2.gz NVSMYJZCHFHLKK-GCJKJVERSA-N 1 2 409.571 2.783 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N2CCC(c3nccc(C)n3)CC2)[C@@H]1c1c[nH+]cn1C ZINC000793815526 1078315595 /nfs/dbraw/zinc/31/55/95/1078315595.db2.gz XIJXCJCPQROJIB-WIYYLYMNSA-N 1 2 424.549 2.614 20 0 HFADLO CC1CCC(CNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000793941596 1078352996 /nfs/dbraw/zinc/35/29/96/1078352996.db2.gz KRKXXQRIPSEZGP-UHFFFAOYSA-N 1 2 400.567 2.780 20 0 HFADLO CC(C)(C)OC(=O)N1CC=C(CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000794181464 1078381981 /nfs/dbraw/zinc/38/19/81/1078381981.db2.gz MELXDFCGHLZOJS-LJQANCHMSA-N 1 2 407.555 2.703 20 0 HFADLO CC(C)(C)OC(=O)N1CC=C(CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000794181464 1078381984 /nfs/dbraw/zinc/38/19/84/1078381984.db2.gz MELXDFCGHLZOJS-LJQANCHMSA-N 1 2 407.555 2.703 20 0 HFADLO Cn1cc[nH+]c1C[C@H](NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1ccccc1 ZINC000794357869 1078424344 /nfs/dbraw/zinc/42/43/44/1078424344.db2.gz SNDJXCHHQTVDKI-HLNWXESRSA-N 1 2 410.518 2.933 20 0 HFADLO Cc1ccc(OCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)c1 ZINC000794353103 1078422753 /nfs/dbraw/zinc/42/27/53/1078422753.db2.gz IWEKULKNNFCHED-UHFFFAOYSA-N 1 2 402.516 2.631 20 0 HFADLO CC[NH+](CC)[C@@H](C(=O)Nc1nc2nc(C)cc(=O)n2[nH]1)c1cccc(C(F)(F)F)c1 ZINC001129408592 1078441434 /nfs/dbraw/zinc/44/14/34/1078441434.db2.gz DLXKJLVWQLNYQZ-OAHLLOKOSA-N 1 2 422.411 2.766 20 0 HFADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCC2(c3ccc(Cl)cc3)CC2)C1 ZINC000804461856 1078503098 /nfs/dbraw/zinc/50/30/98/1078503098.db2.gz VYRZXNICTATAJS-HNNXBMFYSA-N 1 2 400.910 2.628 20 0 HFADLO CCn1c(=O)c2ccc(C(=O)N3CC([N@H+](C)Cc4ccccc4)C3)cc2[nH]c1=S ZINC000804532820 1078570262 /nfs/dbraw/zinc/57/02/62/1078570262.db2.gz LNNZNTIRYLUYDI-UHFFFAOYSA-N 1 2 408.527 2.662 20 0 HFADLO CCn1c(=O)c2ccc(C(=O)N3CC([N@@H+](C)Cc4ccccc4)C3)cc2[nH]c1=S ZINC000804532820 1078570266 /nfs/dbraw/zinc/57/02/66/1078570266.db2.gz LNNZNTIRYLUYDI-UHFFFAOYSA-N 1 2 408.527 2.662 20 0 HFADLO CC[C@H]1CC([NH2+]Cc2noc(C(=O)N(C)C)n2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170465570 1078596011 /nfs/dbraw/zinc/59/60/11/1078596011.db2.gz PWLHOPFNGCFVDJ-GJZGRUSLSA-N 1 2 409.531 2.818 20 0 HFADLO CCn1c(C)cc(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC000804760816 1078613006 /nfs/dbraw/zinc/61/30/06/1078613006.db2.gz PPHZNMUYUXXQHV-SFHVURJKSA-N 1 2 404.555 2.892 20 0 HFADLO COCC(C)(C)[NH+]1CCN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CC1 ZINC001129926481 1078619979 /nfs/dbraw/zinc/61/99/79/1078619979.db2.gz XUPFNNRDQNLOOK-UHFFFAOYSA-N 1 2 403.504 2.722 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C=C\c3ccc(O)cc3)C2)CC1 ZINC000804763909 1078621092 /nfs/dbraw/zinc/62/10/92/1078621092.db2.gz MSWRQEHSHDWYIN-KKMIYCERSA-N 1 2 401.507 2.559 20 0 HFADLO CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC001170459157 1078652346 /nfs/dbraw/zinc/65/23/46/1078652346.db2.gz ACNQGJSYZVZGRV-LJQANCHMSA-N 1 2 410.486 2.614 20 0 HFADLO CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCCN(c3cccc(F)c3F)CC2)cc1 ZINC001170459157 1078652350 /nfs/dbraw/zinc/65/23/50/1078652350.db2.gz ACNQGJSYZVZGRV-LJQANCHMSA-N 1 2 410.486 2.614 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3cc(Br)ccn3)C2)CC1 ZINC000804834295 1078674975 /nfs/dbraw/zinc/67/49/75/1078674975.db2.gz FKINAKRNPGKEMC-HNNXBMFYSA-N 1 2 411.344 2.976 20 0 HFADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC001129726713 1078676510 /nfs/dbraw/zinc/67/65/10/1078676510.db2.gz GCRQITXUFPQXNQ-OAQYLSRUSA-N 1 2 408.498 2.981 20 0 HFADLO COc1ccc(C[N@@H+]2CCCN(C(=O)CSc3n[nH]c(=S)s3)CC2)cc1 ZINC000747202954 1078690730 /nfs/dbraw/zinc/69/07/30/1078690730.db2.gz HXFHMVVDFRZIEL-UHFFFAOYSA-N 1 2 410.590 2.662 20 0 HFADLO COc1ccc(C[N@H+]2CCCN(C(=O)CSc3n[nH]c(=S)s3)CC2)cc1 ZINC000747202954 1078690742 /nfs/dbraw/zinc/69/07/42/1078690742.db2.gz HXFHMVVDFRZIEL-UHFFFAOYSA-N 1 2 410.590 2.662 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000804941919 1078766470 /nfs/dbraw/zinc/76/64/70/1078766470.db2.gz HBNQFPDNPAGEDH-UONOGXRCSA-N 1 2 421.369 2.517 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCCCOC3CCCC3)C2)CC1 ZINC000805027712 1078839893 /nfs/dbraw/zinc/83/98/93/1078839893.db2.gz QNHRUTFSDIHOIR-GOSISDBHSA-N 1 2 424.586 2.672 20 0 HFADLO CCSCC[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805163209 1078954680 /nfs/dbraw/zinc/95/46/80/1078954680.db2.gz DVASDQKSWPVOHP-DLBZAZTESA-N 1 2 414.616 2.855 20 0 HFADLO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000747238509 1079029017 /nfs/dbraw/zinc/02/90/17/1079029017.db2.gz FGMLZMORJMIVBD-PXTSUWAFSA-N 1 2 420.556 2.659 20 0 HFADLO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000747238509 1079029026 /nfs/dbraw/zinc/02/90/26/1079029026.db2.gz FGMLZMORJMIVBD-PXTSUWAFSA-N 1 2 420.556 2.659 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000805426422 1079058739 /nfs/dbraw/zinc/05/87/39/1079058739.db2.gz UYJCBWMCVQIGHB-SLFFLAALSA-N 1 2 414.550 2.879 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000805470698 1079088991 /nfs/dbraw/zinc/08/89/91/1079088991.db2.gz SWECFKIAGQZHSP-UNMCSNQZSA-N 1 2 414.477 2.637 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000805470698 1079088999 /nfs/dbraw/zinc/08/89/99/1079088999.db2.gz SWECFKIAGQZHSP-UNMCSNQZSA-N 1 2 414.477 2.637 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000805473583 1079091166 /nfs/dbraw/zinc/09/11/66/1079091166.db2.gz HYNUOCHOMPJAKT-DNVCBOLYSA-N 1 2 418.490 2.709 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000805473583 1079091170 /nfs/dbraw/zinc/09/11/70/1079091170.db2.gz HYNUOCHOMPJAKT-DNVCBOLYSA-N 1 2 418.490 2.709 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000805473585 1079091279 /nfs/dbraw/zinc/09/12/79/1079091279.db2.gz HYNUOCHOMPJAKT-KXBFYZLASA-N 1 2 418.490 2.709 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000805473585 1079091289 /nfs/dbraw/zinc/09/12/89/1079091289.db2.gz HYNUOCHOMPJAKT-KXBFYZLASA-N 1 2 418.490 2.709 20 0 HFADLO CNC(=O)Cc1nc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cs1 ZINC000805795201 1079259632 /nfs/dbraw/zinc/25/96/32/1079259632.db2.gz IQVASUCONIGOQQ-HXUWFJFHSA-N 1 2 408.568 2.655 20 0 HFADLO CNC(=O)Cc1nc(C[N@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cs1 ZINC000805795201 1079259637 /nfs/dbraw/zinc/25/96/37/1079259637.db2.gz IQVASUCONIGOQQ-HXUWFJFHSA-N 1 2 408.568 2.655 20 0 HFADLO C[C@H](C[N@H+](CC(=O)Nc1cccc(S(C)(=O)=O)c1)[C@@H](C)CO)c1ccccc1 ZINC000805820079 1079292076 /nfs/dbraw/zinc/29/20/76/1079292076.db2.gz DGYDJIFMTDIZTM-SJORKVTESA-N 1 2 404.532 2.515 20 0 HFADLO C[C@H](C[N@@H+](CC(=O)Nc1cccc(S(C)(=O)=O)c1)[C@@H](C)CO)c1ccccc1 ZINC000805820079 1079292083 /nfs/dbraw/zinc/29/20/83/1079292083.db2.gz DGYDJIFMTDIZTM-SJORKVTESA-N 1 2 404.532 2.515 20 0 HFADLO O=C1OCC[C@@H]1CC[N@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000805822828 1079293849 /nfs/dbraw/zinc/29/38/49/1079293849.db2.gz XFVMJUITWKWZCJ-AWEZNQCLSA-N 1 2 417.369 2.598 20 0 HFADLO O=C1OCC[C@@H]1CC[N@@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000805822828 1079293853 /nfs/dbraw/zinc/29/38/53/1079293853.db2.gz XFVMJUITWKWZCJ-AWEZNQCLSA-N 1 2 417.369 2.598 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H](O)COC(C)C ZINC000805829933 1079300357 /nfs/dbraw/zinc/30/03/57/1079300357.db2.gz UIXBXMXDCODJRU-HFTRVMKXSA-N 1 2 418.456 2.665 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@@H](O)COC(C)C ZINC000805829933 1079300359 /nfs/dbraw/zinc/30/03/59/1079300359.db2.gz UIXBXMXDCODJRU-HFTRVMKXSA-N 1 2 418.456 2.665 20 0 HFADLO Cc1nc(C[NH+]2CCC(C(=O)OCCN3C(=O)NCc4ccccc43)CC2)cs1 ZINC000805879095 1079319523 /nfs/dbraw/zinc/31/95/23/1079319523.db2.gz ZVGJZDPOUOFKMS-UHFFFAOYSA-N 1 2 414.531 2.937 20 0 HFADLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@H]3CNC(c4ccccc4)=NO3)CC2)cs1 ZINC000805894446 1079324329 /nfs/dbraw/zinc/32/43/29/1079324329.db2.gz HRSHNQJOYXXOFK-LJQANCHMSA-N 1 2 414.531 2.557 20 0 HFADLO CCc1nc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1-c1ccccc1Cl ZINC001130472233 1079399002 /nfs/dbraw/zinc/39/90/02/1079399002.db2.gz NZGNHZAZBVEDEI-KFWWJZLASA-N 1 2 405.930 2.711 20 0 HFADLO CCc1nc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1-c1ccccc1Cl ZINC001130472233 1079399006 /nfs/dbraw/zinc/39/90/06/1079399006.db2.gz NZGNHZAZBVEDEI-KFWWJZLASA-N 1 2 405.930 2.711 20 0 HFADLO Cc1ccc(C)c(OCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000806142597 1079465332 /nfs/dbraw/zinc/46/53/32/1079465332.db2.gz FCVPDXYXTNUPDG-UHFFFAOYSA-N 1 2 402.516 2.631 20 0 HFADLO CN(C)c1ccccc1NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806185809 1079478291 /nfs/dbraw/zinc/47/82/91/1079478291.db2.gz CPPNIJMQJZEXGO-KRWDZBQOSA-N 1 2 417.554 2.912 20 0 HFADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000787332723 1076744922 /nfs/dbraw/zinc/74/49/22/1076744922.db2.gz VISYCFZDAHYAFM-CECAUBDESA-N 1 2 420.513 2.772 20 0 HFADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1 ZINC000787332723 1076744929 /nfs/dbraw/zinc/74/49/29/1076744929.db2.gz VISYCFZDAHYAFM-CECAUBDESA-N 1 2 420.513 2.772 20 0 HFADLO CCn1cc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000787381083 1076780270 /nfs/dbraw/zinc/78/02/70/1076780270.db2.gz DPFPWXNEQCWKKR-UHFFFAOYSA-N 1 2 406.328 2.599 20 0 HFADLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC000787351032 1076791059 /nfs/dbraw/zinc/79/10/59/1076791059.db2.gz CGSJLDFWQNPPGI-MRXNPFEDSA-N 1 2 404.511 2.941 20 0 HFADLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(C)c1 ZINC000787351032 1076791062 /nfs/dbraw/zinc/79/10/62/1076791062.db2.gz CGSJLDFWQNPPGI-MRXNPFEDSA-N 1 2 404.511 2.941 20 0 HFADLO C[C@@H](NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OC(F)F ZINC000787383451 1076795382 /nfs/dbraw/zinc/79/53/82/1076795382.db2.gz GAVKCGBCCXMPMW-CQSZACIVSA-N 1 2 414.412 2.967 20 0 HFADLO CC(=O)c1c[nH]c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1 ZINC000787534750 1076851565 /nfs/dbraw/zinc/85/15/65/1076851565.db2.gz CKSSGNVBQMOZGK-UHFFFAOYSA-N 1 2 405.296 2.984 20 0 HFADLO C[C@@H]1c2ccc(Cl)n2CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000787653513 1076899323 /nfs/dbraw/zinc/89/93/23/1076899323.db2.gz PJKBYKSDDJIIFF-MRXNPFEDSA-N 1 2 402.926 2.989 20 0 HFADLO C[C@H](C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000787846485 1076962423 /nfs/dbraw/zinc/96/24/23/1076962423.db2.gz YILIZHGXSJCISN-JLTOFOAXSA-N 1 2 423.891 2.979 20 0 HFADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)Nc3cc(C)cnc3Cl)CC2)c1 ZINC000787883603 1076976149 /nfs/dbraw/zinc/97/61/49/1076976149.db2.gz KMLMZWNDTPNMOS-OAHLLOKOSA-N 1 2 416.909 2.896 20 0 HFADLO Cc1cnc(Cl)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000787892830 1076981091 /nfs/dbraw/zinc/98/10/91/1076981091.db2.gz YRSBLNRNULDECX-GDBMZVCRSA-N 1 2 408.836 2.822 20 0 HFADLO Cc1cnc(Cl)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000787892830 1076981092 /nfs/dbraw/zinc/98/10/92/1076981092.db2.gz YRSBLNRNULDECX-GDBMZVCRSA-N 1 2 408.836 2.822 20 0 HFADLO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3cnc(Cl)c(F)c3)CC2)cc1 ZINC000787919002 1076996658 /nfs/dbraw/zinc/99/66/58/1076996658.db2.gz UPTKUGVJMRRZCN-UHFFFAOYSA-N 1 2 413.902 2.779 20 0 HFADLO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3cnc(Cl)c(F)c3)CC2)cc1 ZINC000787919002 1076996661 /nfs/dbraw/zinc/99/66/61/1076996661.db2.gz UPTKUGVJMRRZCN-UHFFFAOYSA-N 1 2 413.902 2.779 20 0 HFADLO COCN1C(=O)CCc2cc(NC(=O)[C@@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc21 ZINC000787944029 1077005141 /nfs/dbraw/zinc/00/51/41/1077005141.db2.gz DDUVPNGTTYYJFB-VWKPWSFCSA-N 1 2 403.523 2.642 20 0 HFADLO COCN1C(=O)CCc2cc(NC(=O)[C@@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc21 ZINC000787944029 1077005146 /nfs/dbraw/zinc/00/51/46/1077005146.db2.gz DDUVPNGTTYYJFB-VWKPWSFCSA-N 1 2 403.523 2.642 20 0 HFADLO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788003748 1077025183 /nfs/dbraw/zinc/02/51/83/1077025183.db2.gz QFBRYXVXZDFPQR-UHFFFAOYSA-N 1 2 405.539 2.848 20 0 HFADLO Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c1 ZINC000788004489 1077025838 /nfs/dbraw/zinc/02/58/38/1077025838.db2.gz UQTLQVZWKJPLQG-QGZVFWFLSA-N 1 2 405.539 2.982 20 0 HFADLO CCCC(=O)Nc1cccc(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000788013616 1077028401 /nfs/dbraw/zinc/02/84/01/1077028401.db2.gz HQPOWADYKFYIGE-UHFFFAOYSA-N 1 2 419.485 2.544 20 0 HFADLO CC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787986313 1077032946 /nfs/dbraw/zinc/03/29/46/1077032946.db2.gz BETHCYBEGRAZFH-SFHVURJKSA-N 1 2 423.355 2.540 20 0 HFADLO Cn1cc[nH+]c1CCCOC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000788049926 1077041958 /nfs/dbraw/zinc/04/19/58/1077041958.db2.gz KMVPVKFRMRBBTB-UHFFFAOYSA-N 1 2 402.454 2.968 20 0 HFADLO O=C(COC(=O)c1cccnc1C(F)(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000788134740 1077062092 /nfs/dbraw/zinc/06/20/92/1077062092.db2.gz VPKKHSXDQCYJBJ-UHFFFAOYSA-N 1 2 413.421 2.663 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000788154906 1077070244 /nfs/dbraw/zinc/07/02/44/1077070244.db2.gz PTVIJLAYBYGKDW-NSHDSACASA-N 1 2 410.908 2.622 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21 ZINC000788156172 1077070712 /nfs/dbraw/zinc/07/07/12/1077070712.db2.gz LSOLVMWLHSJLCU-QGZVFWFLSA-N 1 2 423.429 2.576 20 0 HFADLO O=C(CN1C(=O)COc2ccccc21)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788240342 1077084940 /nfs/dbraw/zinc/08/49/40/1077084940.db2.gz DXYVMMYUWMAXND-MRXNPFEDSA-N 1 2 408.502 2.857 20 0 HFADLO O=C(CN1C(=O)COc2ccccc21)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788240342 1077084948 /nfs/dbraw/zinc/08/49/48/1077084948.db2.gz DXYVMMYUWMAXND-MRXNPFEDSA-N 1 2 408.502 2.857 20 0 HFADLO CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000788243375 1077085616 /nfs/dbraw/zinc/08/56/16/1077085616.db2.gz MCGSGQKFYSHNNS-INIZCTEOSA-N 1 2 416.547 2.653 20 0 HFADLO CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000788243375 1077085621 /nfs/dbraw/zinc/08/56/21/1077085621.db2.gz MCGSGQKFYSHNNS-INIZCTEOSA-N 1 2 416.547 2.653 20 0 HFADLO O=C(CNC(=O)COc1ccccc1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788246261 1077086330 /nfs/dbraw/zinc/08/63/30/1077086330.db2.gz QRODTRBLDMTQCG-KRWDZBQOSA-N 1 2 410.518 2.626 20 0 HFADLO O=C(CNC(=O)COc1ccccc1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788246261 1077086334 /nfs/dbraw/zinc/08/63/34/1077086334.db2.gz QRODTRBLDMTQCG-KRWDZBQOSA-N 1 2 410.518 2.626 20 0 HFADLO CCc1ccc([C@]2(CC)NC(=O)N(CN3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000788380889 1077135674 /nfs/dbraw/zinc/13/56/74/1077135674.db2.gz PIRZJBRGIDJHQC-OFNKIYASSA-N 1 2 408.502 2.912 20 0 HFADLO C[C@]1(c2ccc(Cl)s2)NC(=O)N(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000788380245 1077136021 /nfs/dbraw/zinc/13/60/21/1077136021.db2.gz ASDPYJGDZCSYDN-FZKQIMNGSA-N 1 2 406.895 2.674 20 0 HFADLO O[C@H](Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1)c1ccc(F)cc1Cl ZINC000788425677 1077142411 /nfs/dbraw/zinc/14/24/11/1077142411.db2.gz JDFSSOXKYVMWOC-MOPGFXCFSA-N 1 2 417.872 2.773 20 0 HFADLO O[C@H](Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)c1ccc(F)cc1Cl ZINC000788425677 1077142415 /nfs/dbraw/zinc/14/24/15/1077142415.db2.gz JDFSSOXKYVMWOC-MOPGFXCFSA-N 1 2 417.872 2.773 20 0 HFADLO O[C@@H](Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1)c1ccc(F)cc1Cl ZINC000788425679 1077142472 /nfs/dbraw/zinc/14/24/72/1077142472.db2.gz JDFSSOXKYVMWOC-OALUTQOASA-N 1 2 417.872 2.773 20 0 HFADLO O[C@@H](Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)c1ccc(F)cc1Cl ZINC000788425679 1077142474 /nfs/dbraw/zinc/14/24/74/1077142474.db2.gz JDFSSOXKYVMWOC-OALUTQOASA-N 1 2 417.872 2.773 20 0 HFADLO O[C@@H](Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1)c1ccc(F)cc1Cl ZINC000788425682 1077142531 /nfs/dbraw/zinc/14/25/31/1077142531.db2.gz JDFSSOXKYVMWOC-RBUKOAKNSA-N 1 2 417.872 2.773 20 0 HFADLO O[C@@H](Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)c1ccc(F)cc1Cl ZINC000788425682 1077142533 /nfs/dbraw/zinc/14/25/33/1077142533.db2.gz JDFSSOXKYVMWOC-RBUKOAKNSA-N 1 2 417.872 2.773 20 0 HFADLO O=C(c1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)ccn1)N1CCCCC1 ZINC000788449515 1077163165 /nfs/dbraw/zinc/16/31/65/1077163165.db2.gz OPAAYJFYDZXBTH-IBGZPJMESA-N 1 2 400.548 2.677 20 0 HFADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2csc(-c3ccccc3)n2)C1 ZINC000788464662 1077168353 /nfs/dbraw/zinc/16/83/53/1077168353.db2.gz TVHVGWDRJZWWKL-MRXNPFEDSA-N 1 2 409.515 2.566 20 0 HFADLO O=C(NCc1nc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cs1)c1ccccc1 ZINC000788471612 1077170333 /nfs/dbraw/zinc/17/03/33/1077170333.db2.gz LRNDANWRXVPQOR-LJQANCHMSA-N 1 2 411.531 2.742 20 0 HFADLO O=C(C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000788470678 1077170375 /nfs/dbraw/zinc/17/03/75/1077170375.db2.gz IPGCMDYKPUHNJV-DYESRHJHSA-N 1 2 423.473 2.719 20 0 HFADLO Cc1nc(NCc2ccc([C@H](C)O)c(C)n2)nc(NCc2ccc([C@H](C)O)c(C)n2)[nH+]1 ZINC000788548283 1077196570 /nfs/dbraw/zinc/19/65/70/1077196570.db2.gz XZFCCPWNZVOAKZ-GJZGRUSLSA-N 1 2 423.521 2.918 20 0 HFADLO CSc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cnn1C ZINC000790956512 1077253678 /nfs/dbraw/zinc/25/36/78/1077253678.db2.gz RUNIABSUCQRRBL-UHFFFAOYSA-N 1 2 424.368 2.909 20 0 HFADLO CN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788699269 1077263335 /nfs/dbraw/zinc/26/33/35/1077263335.db2.gz XFUIQUKAFBJGFV-FQEVSTJZSA-N 1 2 407.518 2.624 20 0 HFADLO COc1cc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cnc1Cl ZINC000788703970 1077264645 /nfs/dbraw/zinc/26/46/45/1077264645.db2.gz VAUJJXLIRXSVPU-UHFFFAOYSA-N 1 2 410.927 2.845 20 0 HFADLO C[C@@H](Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c[nH+]1)C(C)(C)n1cncn1 ZINC000788706509 1077265932 /nfs/dbraw/zinc/26/59/32/1077265932.db2.gz VNDVBQIDBXACQA-MRXNPFEDSA-N 1 2 415.542 2.966 20 0 HFADLO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788772454 1077277351 /nfs/dbraw/zinc/27/73/51/1077277351.db2.gz UEXJAFJEGKTPFQ-RXVVDRJESA-N 1 2 408.498 2.873 20 0 HFADLO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788772454 1077277359 /nfs/dbraw/zinc/27/73/59/1077277359.db2.gz UEXJAFJEGKTPFQ-RXVVDRJESA-N 1 2 408.498 2.873 20 0 HFADLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788768848 1077282849 /nfs/dbraw/zinc/28/28/49/1077282849.db2.gz BILFMOHNAONPPQ-NRFANRHFSA-N 1 2 407.514 2.786 20 0 HFADLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788768848 1077282855 /nfs/dbraw/zinc/28/28/55/1077282855.db2.gz BILFMOHNAONPPQ-NRFANRHFSA-N 1 2 407.514 2.786 20 0 HFADLO CC(C)(C)OC(=O)NC1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000788772923 1077296251 /nfs/dbraw/zinc/29/62/51/1077296251.db2.gz SNGNBJOQBQSCCV-QGZVFWFLSA-N 1 2 401.507 2.551 20 0 HFADLO CC(C)(C)OC(=O)NC1(C)CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000788779891 1077299307 /nfs/dbraw/zinc/29/93/07/1077299307.db2.gz NGNVHLQMAWYRMQ-GOSISDBHSA-N 1 2 415.534 2.941 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2=O)c(C)c1 ZINC000788817476 1077307031 /nfs/dbraw/zinc/30/70/31/1077307031.db2.gz BPMKEOUVESRKPN-OALUTQOASA-N 1 2 407.518 2.690 20 0 HFADLO C[C@H](C(=O)O[C@H]1CCN(C2CCOCC2)C1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000746983741 1077309831 /nfs/dbraw/zinc/30/98/31/1077309831.db2.gz RNCMCWUITRNJRR-GCJKJVERSA-N 1 2 414.546 2.653 20 0 HFADLO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000788833809 1077314508 /nfs/dbraw/zinc/31/45/08/1077314508.db2.gz FRTKSQNELLVXAB-OAHLLOKOSA-N 1 2 400.454 2.885 20 0 HFADLO Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000791272175 1077355652 /nfs/dbraw/zinc/35/56/52/1077355652.db2.gz JGRXPFSSYIPWCH-HNNXBMFYSA-N 1 2 416.547 2.701 20 0 HFADLO Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000791272175 1077355658 /nfs/dbraw/zinc/35/56/58/1077355658.db2.gz JGRXPFSSYIPWCH-HNNXBMFYSA-N 1 2 416.547 2.701 20 0 HFADLO Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000791272176 1077355685 /nfs/dbraw/zinc/35/56/85/1077355685.db2.gz JGRXPFSSYIPWCH-OAHLLOKOSA-N 1 2 416.547 2.701 20 0 HFADLO Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000791272176 1077355690 /nfs/dbraw/zinc/35/56/90/1077355690.db2.gz JGRXPFSSYIPWCH-OAHLLOKOSA-N 1 2 416.547 2.701 20 0 HFADLO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)cc2CC1 ZINC000788970001 1077366597 /nfs/dbraw/zinc/36/65/97/1077366597.db2.gz QPAQEMSWVRUZQH-LJQANCHMSA-N 1 2 410.518 2.964 20 0 HFADLO O=C(NCc1cn(-c2ccccc2)nn1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789076186 1077397998 /nfs/dbraw/zinc/39/79/98/1077397998.db2.gz ASUFEONVYMLODJ-UHFFFAOYSA-N 1 2 405.506 2.889 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000789084587 1077399740 /nfs/dbraw/zinc/39/97/40/1077399740.db2.gz ZNBYDKYOKREWOF-KRWDZBQOSA-N 1 2 420.554 2.938 20 0 HFADLO Cc1oc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1S(=O)(=O)N(C)C ZINC000791405750 1077400984 /nfs/dbraw/zinc/40/09/84/1077400984.db2.gz BOQHJFNPIOBMIU-UHFFFAOYSA-N 1 2 403.460 2.689 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000791412703 1077402664 /nfs/dbraw/zinc/40/26/64/1077402664.db2.gz PPBZSMYTGDXWOW-GOSISDBHSA-N 1 2 401.463 2.860 20 0 HFADLO CC(=O)c1cc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1C ZINC000789134036 1077406719 /nfs/dbraw/zinc/40/67/19/1077406719.db2.gz CGOQBQXMQNLQQW-UHFFFAOYSA-N 1 2 400.500 2.760 20 0 HFADLO Nc1cc(COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc[nH+]1 ZINC000791494506 1077435698 /nfs/dbraw/zinc/43/56/98/1077435698.db2.gz QZERKIXFLYTUTD-IBGZPJMESA-N 1 2 401.422 2.615 20 0 HFADLO Fc1ccc(CCNC(=S)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1 ZINC000789174712 1077443917 /nfs/dbraw/zinc/44/39/17/1077443917.db2.gz PEXOYKBFCSGDNW-UHFFFAOYSA-N 1 2 416.566 2.862 20 0 HFADLO COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791519141 1077452917 /nfs/dbraw/zinc/45/29/17/1077452917.db2.gz DDPSQKNWMXSQJG-UHFFFAOYSA-N 1 2 417.421 2.826 20 0 HFADLO CN1CC[NH+](Cc2cccc(NC(=O)c3nc(Br)ccc3F)c2)CC1 ZINC000791538514 1077458202 /nfs/dbraw/zinc/45/82/02/1077458202.db2.gz BDRFISXZNNNJIS-UHFFFAOYSA-N 1 2 407.287 2.983 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CCN1CCS(=O)(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000791578273 1077469475 /nfs/dbraw/zinc/46/94/75/1077469475.db2.gz IXIPROFXIMSKTQ-KPWCQOOUSA-N 1 2 424.451 2.947 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CCN1CCS(=O)(=O)CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000791578273 1077469477 /nfs/dbraw/zinc/46/94/77/1077469477.db2.gz IXIPROFXIMSKTQ-KPWCQOOUSA-N 1 2 424.451 2.947 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)CCN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000791578273 1077469479 /nfs/dbraw/zinc/46/94/79/1077469479.db2.gz IXIPROFXIMSKTQ-KPWCQOOUSA-N 1 2 424.451 2.947 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)CCN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000791578273 1077469481 /nfs/dbraw/zinc/46/94/81/1077469481.db2.gz IXIPROFXIMSKTQ-KPWCQOOUSA-N 1 2 424.451 2.947 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CCN1CCS(=O)(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000791578277 1077469486 /nfs/dbraw/zinc/46/94/86/1077469486.db2.gz IXIPROFXIMSKTQ-XJFOESAGSA-N 1 2 424.451 2.947 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CCN1CCS(=O)(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000791578277 1077469489 /nfs/dbraw/zinc/46/94/89/1077469489.db2.gz IXIPROFXIMSKTQ-XJFOESAGSA-N 1 2 424.451 2.947 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)CCN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000791578277 1077469491 /nfs/dbraw/zinc/46/94/91/1077469491.db2.gz IXIPROFXIMSKTQ-XJFOESAGSA-N 1 2 424.451 2.947 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)CCN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000791578277 1077469492 /nfs/dbraw/zinc/46/94/92/1077469492.db2.gz IXIPROFXIMSKTQ-XJFOESAGSA-N 1 2 424.451 2.947 20 0 HFADLO COc1cc(NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)ccc1Br ZINC000746794948 1077472364 /nfs/dbraw/zinc/47/23/64/1077472364.db2.gz VAOLGEXCRPPGIX-UHFFFAOYSA-N 1 2 422.279 2.733 20 0 HFADLO COC(=O)CCc1c(C)nn(-c2ccc(C(=O)OCc3cc[nH+]c(N)c3)cc2)c1C ZINC000791621455 1077490820 /nfs/dbraw/zinc/49/08/20/1077490820.db2.gz VPRLFZANSVOWAF-UHFFFAOYSA-N 1 2 408.458 2.929 20 0 HFADLO COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001170100552 1077494226 /nfs/dbraw/zinc/49/42/26/1077494226.db2.gz DJTMHXOTLUHGLQ-SFHVURJKSA-N 1 2 410.478 2.771 20 0 HFADLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)c2cc(Br)ccc2n1 ZINC001170101726 1077515821 /nfs/dbraw/zinc/51/58/21/1077515821.db2.gz LCZFBEHSTKWYLE-GOSISDBHSA-N 1 2 414.307 2.826 20 0 HFADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000789364400 1077539785 /nfs/dbraw/zinc/53/97/85/1077539785.db2.gz JCUJJSKAKSXHOO-AWEZNQCLSA-N 1 2 401.488 2.697 20 0 HFADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000789364400 1077539792 /nfs/dbraw/zinc/53/97/92/1077539792.db2.gz JCUJJSKAKSXHOO-AWEZNQCLSA-N 1 2 401.488 2.697 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1=O ZINC000789422577 1077552917 /nfs/dbraw/zinc/55/29/17/1077552917.db2.gz DDWOBZLHXAJEHV-GAJHUEQPSA-N 1 2 420.598 2.953 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)C1=O ZINC000789425832 1077555016 /nfs/dbraw/zinc/55/50/16/1077555016.db2.gz QUIXKASFFSMZJL-VGSWGCGISA-N 1 2 406.571 2.565 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)C1=O ZINC000789425832 1077555020 /nfs/dbraw/zinc/55/50/20/1077555020.db2.gz QUIXKASFFSMZJL-VGSWGCGISA-N 1 2 406.571 2.565 20 0 HFADLO C[C@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)NC(=O)OC(C)(C)C ZINC000791819634 1077567457 /nfs/dbraw/zinc/56/74/57/1077567457.db2.gz ZQMNFMBSLQDMTB-OAHLLOKOSA-N 1 2 403.483 2.997 20 0 HFADLO Cc1noc(C2(C)CC[NH+](CN3C(=O)N[C@](CCC(C)C)(C4CC4)C3=O)CC2)n1 ZINC000789444459 1077576775 /nfs/dbraw/zinc/57/67/75/1077576775.db2.gz QKLCNIOTMRBBEY-OAQYLSRUSA-N 1 2 403.527 2.826 20 0 HFADLO Nc1cc(COC(=O)CCCS(=O)(=O)c2ccc(Br)cc2)cc[nH+]1 ZINC000791875968 1077595228 /nfs/dbraw/zinc/59/52/28/1077595228.db2.gz OBNJKUHBFRCBHR-UHFFFAOYSA-N 1 2 413.293 2.724 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)[nH+]1 ZINC000789600425 1077704608 /nfs/dbraw/zinc/70/46/08/1077704608.db2.gz CXSMQFXGHLXZFD-UHFFFAOYSA-N 1 2 406.777 2.605 20 0 HFADLO CC(C)c1nc2ccc(NC(=O)C(=O)Nc3nc(Cl)cc(NN)[nH+]3)cc2s1 ZINC000789601882 1077705379 /nfs/dbraw/zinc/70/53/79/1077705379.db2.gz ZDSRPEHKAFOJJY-UHFFFAOYSA-N 1 2 405.871 2.726 20 0 HFADLO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000792152916 1077724095 /nfs/dbraw/zinc/72/40/95/1077724095.db2.gz MPBJSTGWNGVRLO-JLZZUVOBSA-N 1 2 412.481 2.922 20 0 HFADLO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000792152916 1077724099 /nfs/dbraw/zinc/72/40/99/1077724099.db2.gz MPBJSTGWNGVRLO-JLZZUVOBSA-N 1 2 412.481 2.922 20 0 HFADLO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000792152915 1077724117 /nfs/dbraw/zinc/72/41/17/1077724117.db2.gz MPBJSTGWNGVRLO-DQYPLSBCSA-N 1 2 412.481 2.922 20 0 HFADLO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000792152915 1077724123 /nfs/dbraw/zinc/72/41/23/1077724123.db2.gz MPBJSTGWNGVRLO-DQYPLSBCSA-N 1 2 412.481 2.922 20 0 HFADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000746847686 1077736292 /nfs/dbraw/zinc/73/62/92/1077736292.db2.gz UPEQCOVTYSNALF-UHFFFAOYSA-N 1 2 412.861 2.598 20 0 HFADLO COC(=O)[C@H](NC1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(OC)c(O)c1 ZINC000792180022 1077736565 /nfs/dbraw/zinc/73/65/65/1077736565.db2.gz KMLWJSVSFZDRHD-JOCHJYFZSA-N 1 2 413.518 2.940 20 0 HFADLO Nc1cc(COC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)cc[nH+]1 ZINC000792201606 1077743893 /nfs/dbraw/zinc/74/38/93/1077743893.db2.gz DXQORDQQXAHINC-UHFFFAOYSA-N 1 2 421.862 2.746 20 0 HFADLO Cc1cc(N2CCN(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000792256008 1077781466 /nfs/dbraw/zinc/78/14/66/1077781466.db2.gz PNMLEQRSZVSTDH-MRXNPFEDSA-N 1 2 420.558 2.653 20 0 HFADLO C[C@H](CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000792263457 1077785879 /nfs/dbraw/zinc/78/58/79/1077785879.db2.gz YYEXYTTWZBKBIE-IBWPDUFMSA-N 1 2 402.539 2.940 20 0 HFADLO C[C@H](CC(=O)c1cccs1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792272886 1077788112 /nfs/dbraw/zinc/78/81/12/1077788112.db2.gz DQCBZIWNKALMQO-OAHLLOKOSA-N 1 2 409.552 2.768 20 0 HFADLO CSCc1noc(CCC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)n1 ZINC000746858020 1077791661 /nfs/dbraw/zinc/79/16/61/1077791661.db2.gz JSALRDUBKGNAGL-UHFFFAOYSA-N 1 2 403.552 2.716 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000789796044 1077801980 /nfs/dbraw/zinc/80/19/80/1077801980.db2.gz FPWFVMPSSWETBG-UHFFFAOYSA-N 1 2 419.469 2.806 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000789796044 1077801984 /nfs/dbraw/zinc/80/19/84/1077801984.db2.gz FPWFVMPSSWETBG-UHFFFAOYSA-N 1 2 419.469 2.806 20 0 HFADLO Cc1cc(Cl)ncc1NC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789796876 1077802990 /nfs/dbraw/zinc/80/29/90/1077802990.db2.gz MUEAKDSWFPPPEB-UHFFFAOYSA-N 1 2 401.898 2.921 20 0 HFADLO CCOC(=O)N1CCN(C(=O)C[N@H+](CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000792428687 1077851251 /nfs/dbraw/zinc/85/12/51/1077851251.db2.gz DUIAZCIMRHFBKU-UHFFFAOYSA-N 1 2 401.429 2.742 20 0 HFADLO CCOC(=O)N1CCN(C(=O)C[N@@H+](CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000792428687 1077851254 /nfs/dbraw/zinc/85/12/54/1077851254.db2.gz DUIAZCIMRHFBKU-UHFFFAOYSA-N 1 2 401.429 2.742 20 0 HFADLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C(N)=O)n1 ZINC000792469766 1077870506 /nfs/dbraw/zinc/87/05/06/1077870506.db2.gz DNXGLXVSHLQMSC-ZDUSSCGKSA-N 1 2 422.532 2.646 20 0 HFADLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C(N)=O)n1 ZINC000792469766 1077870511 /nfs/dbraw/zinc/87/05/11/1077870511.db2.gz DNXGLXVSHLQMSC-ZDUSSCGKSA-N 1 2 422.532 2.646 20 0 HFADLO C[C@H]([NH2+]CC(=O)N(CCc1ccccc1)Cc1ccccc1)c1nnnn1C1CC1 ZINC000792474278 1077873608 /nfs/dbraw/zinc/87/36/08/1077873608.db2.gz QEPCARXEYNDPRD-SFHVURJKSA-N 1 2 404.518 2.930 20 0 HFADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CC(c2cc(OC)ccc2OC)=NO1 ZINC000792484789 1077877843 /nfs/dbraw/zinc/87/78/43/1077877843.db2.gz JBSCGSZCLPGTFZ-FQEVSTJZSA-N 1 2 414.506 2.895 20 0 HFADLO Cn1nc(C2CC2)nc1CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001170192642 1077904773 /nfs/dbraw/zinc/90/47/73/1077904773.db2.gz CMQMSKRYXMZYMK-UHFFFAOYSA-N 1 2 405.300 2.947 20 0 HFADLO CCC[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](O)c1ccccc1 ZINC000792567710 1077907005 /nfs/dbraw/zinc/90/70/05/1077907005.db2.gz BMBDHWGVEAZLOP-GBXCKJPGSA-N 1 2 424.545 2.529 20 0 HFADLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCCOc1ccc(C(C)C)cc1 ZINC001170216146 1077909274 /nfs/dbraw/zinc/90/92/74/1077909274.db2.gz JWPGXEUQXWXYFX-LJQANCHMSA-N 1 2 405.539 2.906 20 0 HFADLO CCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCCOc1ccc(C(C)C)cc1 ZINC001170216146 1077909277 /nfs/dbraw/zinc/90/92/77/1077909277.db2.gz JWPGXEUQXWXYFX-LJQANCHMSA-N 1 2 405.539 2.906 20 0 HFADLO CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)N2CCc3cc[nH+]c(N)c3C2)C1 ZINC001170269524 1077923559 /nfs/dbraw/zinc/92/35/59/1077923559.db2.gz XNEAEECCPYOHHU-QGZVFWFLSA-N 1 2 400.523 2.976 20 0 HFADLO Cc1nc(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)nc2ccccc12 ZINC001170273792 1077925837 /nfs/dbraw/zinc/92/58/37/1077925837.db2.gz RJLGNCZDNSFEKM-MJGOQNOKSA-N 1 2 422.451 2.986 20 0 HFADLO Nc1ncc2c(n1)CCN(C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C2 ZINC000790066678 1077936994 /nfs/dbraw/zinc/93/69/94/1077936994.db2.gz UFGIKCJIAYPJGF-KRWDZBQOSA-N 1 2 416.323 2.543 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000790130651 1077952002 /nfs/dbraw/zinc/95/20/02/1077952002.db2.gz BQYNIBDKHUNLNR-WMZHIEFXSA-N 1 2 412.530 2.868 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC000790132730 1077952668 /nfs/dbraw/zinc/95/26/68/1077952668.db2.gz QOMNBBJWYBCTCY-SFHVURJKSA-N 1 2 408.502 2.706 20 0 HFADLO CCCCCCn1nc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c2ccccc2c1=O ZINC000790135392 1077953597 /nfs/dbraw/zinc/95/35/97/1077953597.db2.gz JQZJBVYGBZRZMF-SFHVURJKSA-N 1 2 414.550 2.770 20 0 HFADLO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000790155772 1077960498 /nfs/dbraw/zinc/96/04/98/1077960498.db2.gz TZQNWDWXCPFDCL-OIISXLGYSA-N 1 2 405.495 2.822 20 0 HFADLO COc1ccc(Cl)cc1NC(=S)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000792680116 1077971674 /nfs/dbraw/zinc/97/16/74/1077971674.db2.gz QWVVOAVCGLSCDC-KRWDZBQOSA-N 1 2 401.985 2.843 20 0 HFADLO Cn1cc(C[C@@H]2CC[N@H+](Cn3c(=O)oc4cc(F)c(Br)cc43)C2)cn1 ZINC000792706000 1077979192 /nfs/dbraw/zinc/97/91/92/1077979192.db2.gz NNDGOUGGXJGPOZ-NSHDSACASA-N 1 2 409.259 2.752 20 0 HFADLO Cn1cc(C[C@@H]2CC[N@@H+](Cn3c(=O)oc4cc(F)c(Br)cc43)C2)cn1 ZINC000792706000 1077979194 /nfs/dbraw/zinc/97/91/94/1077979194.db2.gz NNDGOUGGXJGPOZ-NSHDSACASA-N 1 2 409.259 2.752 20 0 HFADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000790290976 1077986803 /nfs/dbraw/zinc/98/68/03/1077986803.db2.gz RSDXZYSOPROWFG-SFHVURJKSA-N 1 2 424.586 2.530 20 0 HFADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000790290976 1077986805 /nfs/dbraw/zinc/98/68/05/1077986805.db2.gz RSDXZYSOPROWFG-SFHVURJKSA-N 1 2 424.586 2.530 20 0 HFADLO COc1ccc([C@@H]2C[C@H]2NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000792794288 1077993486 /nfs/dbraw/zinc/99/34/86/1077993486.db2.gz YZJYHVMHSROAHG-FCHUYYIVSA-N 1 2 422.529 2.953 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Oc2ccc(N3CCCC3=O)cc2)[C@@H]1c1c[nH+]cn1C ZINC000792878288 1078015839 /nfs/dbraw/zinc/01/58/39/1078015839.db2.gz POXJWCJRCLFNTF-XMSQKQJNSA-N 1 2 424.501 2.842 20 0 HFADLO C[C@]12CC[N@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C[C@H]1C2(Cl)Cl ZINC000792906370 1078020516 /nfs/dbraw/zinc/02/05/16/1078020516.db2.gz JSXLMFKWAGSQGS-CJNGLKHVSA-N 1 2 400.262 2.579 20 0 HFADLO C[C@]12CC[N@@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C[C@H]1C2(Cl)Cl ZINC000792906370 1078020521 /nfs/dbraw/zinc/02/05/21/1078020521.db2.gz JSXLMFKWAGSQGS-CJNGLKHVSA-N 1 2 400.262 2.579 20 0 HFADLO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C2 ZINC000792921687 1078026201 /nfs/dbraw/zinc/02/62/01/1078026201.db2.gz LRLMEDXKETXMOO-KRWDZBQOSA-N 1 2 414.449 2.705 20 0 HFADLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C2 ZINC000792921687 1078026205 /nfs/dbraw/zinc/02/62/05/1078026205.db2.gz LRLMEDXKETXMOO-KRWDZBQOSA-N 1 2 414.449 2.705 20 0 HFADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1 ZINC000790460682 1078027154 /nfs/dbraw/zinc/02/71/54/1078027154.db2.gz SEYPXKPVRWLELI-KRWDZBQOSA-N 1 2 422.934 2.674 20 0 HFADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c1 ZINC000790460682 1078027159 /nfs/dbraw/zinc/02/71/59/1078027159.db2.gz SEYPXKPVRWLELI-KRWDZBQOSA-N 1 2 422.934 2.674 20 0 HFADLO COc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000806271939 1079534459 /nfs/dbraw/zinc/53/44/59/1079534459.db2.gz SQTRGTGBLYCOQT-GOSISDBHSA-N 1 2 418.538 2.532 20 0 HFADLO CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000806302552 1079555750 /nfs/dbraw/zinc/55/57/50/1079555750.db2.gz FRMBGNQRAUBRMC-LJQANCHMSA-N 1 2 424.586 2.530 20 0 HFADLO C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000806303414 1079556904 /nfs/dbraw/zinc/55/69/04/1079556904.db2.gz NNZNZOVBVTXHHW-RBUKOAKNSA-N 1 2 424.586 2.530 20 0 HFADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)N[C@H]1CCCc2cn(C(C)C)nc21 ZINC000806296305 1079585262 /nfs/dbraw/zinc/58/52/62/1079585262.db2.gz NOSQNWYYWPEPPV-SFHVURJKSA-N 1 2 414.554 2.655 20 0 HFADLO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000806360676 1079648414 /nfs/dbraw/zinc/64/84/14/1079648414.db2.gz BBHDGUQGCHLIIV-GOSISDBHSA-N 1 2 403.527 2.834 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000806427281 1079671848 /nfs/dbraw/zinc/67/18/48/1079671848.db2.gz FAHJZXJTADEVTE-SFHVURJKSA-N 1 2 403.527 2.703 20 0 HFADLO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000806430629 1079677958 /nfs/dbraw/zinc/67/79/58/1079677958.db2.gz VPECGUFVBBCQHH-GOSISDBHSA-N 1 2 405.543 2.852 20 0 HFADLO COc1cccnc1CC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000806432960 1079679744 /nfs/dbraw/zinc/67/97/44/1079679744.db2.gz CEUSTRMNHGGPSN-UHFFFAOYSA-N 1 2 409.408 2.876 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3cccc4c3CCO4)C2)CC1 ZINC000806502006 1079752811 /nfs/dbraw/zinc/75/28/11/1079752811.db2.gz NZLYQOSBMBTGRR-INIZCTEOSA-N 1 2 416.522 2.780 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3cc(Cl)ccn3)C2)CC1 ZINC000806533291 1079805290 /nfs/dbraw/zinc/80/52/90/1079805290.db2.gz POVALXLAQICBEL-OAHLLOKOSA-N 1 2 409.918 2.894 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)N[C@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000806536883 1079809562 /nfs/dbraw/zinc/80/95/62/1079809562.db2.gz PNOCQVQFIWCNSV-UFYCRDLUSA-N 1 2 414.550 2.879 20 0 HFADLO COc1ccc(CS(C)(=O)=O)cc1NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000806638341 1079894947 /nfs/dbraw/zinc/89/49/47/1079894947.db2.gz BENDTRIRDUTALY-UHFFFAOYSA-N 1 2 407.492 2.582 20 0 HFADLO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1cccc(O)c1 ZINC000806794447 1080014341 /nfs/dbraw/zinc/01/43/41/1080014341.db2.gz QZAIJMRZKQTXGQ-FUHWJXTLSA-N 1 2 418.538 2.790 20 0 HFADLO Cc1cccc(F)c1CNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806873431 1080074002 /nfs/dbraw/zinc/07/40/02/1080074002.db2.gz AFXJPTKOGQUPFX-QGZVFWFLSA-N 1 2 420.529 2.971 20 0 HFADLO CCc1cnc(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC000806877814 1080076005 /nfs/dbraw/zinc/07/60/05/1080076005.db2.gz HJEPSUVCHGKVLQ-HNNXBMFYSA-N 1 2 423.583 2.542 20 0 HFADLO CCc1cnc(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC000806877816 1080076221 /nfs/dbraw/zinc/07/62/21/1080076221.db2.gz HJEPSUVCHGKVLQ-OAHLLOKOSA-N 1 2 423.583 2.542 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000806885751 1080082462 /nfs/dbraw/zinc/08/24/62/1080082462.db2.gz GMTDLOKBOYQZSA-QGZVFWFLSA-N 1 2 406.596 2.965 20 0 HFADLO CC[C@H](NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)C1CCOCC1 ZINC000806896467 1080102596 /nfs/dbraw/zinc/10/25/96/1080102596.db2.gz ULLQWVUPUUFYON-MOPGFXCFSA-N 1 2 424.586 2.528 20 0 HFADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000806952626 1080161490 /nfs/dbraw/zinc/16/14/90/1080161490.db2.gz AFLUOQDZLJWHEU-MOPGFXCFSA-N 1 2 417.456 2.692 20 0 HFADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000806952626 1080161492 /nfs/dbraw/zinc/16/14/92/1080161492.db2.gz AFLUOQDZLJWHEU-MOPGFXCFSA-N 1 2 417.456 2.692 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NC[C@@]3(C)CCCS3)CC2)C1 ZINC000806955545 1080166414 /nfs/dbraw/zinc/16/64/14/1080166414.db2.gz ASMMCAHOSSOORR-OXQOHEQNSA-N 1 2 412.600 2.609 20 0 HFADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000806986633 1080197772 /nfs/dbraw/zinc/19/77/72/1080197772.db2.gz UQPGDGXNEKKQES-UHFFFAOYSA-N 1 2 401.470 2.838 20 0 HFADLO Cc1nnc(CC[NH+]2CCN([C@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)o1 ZINC001170517481 1080231917 /nfs/dbraw/zinc/23/19/17/1080231917.db2.gz BWXFLCHXGHXWDH-QHCPKHFHSA-N 1 2 419.529 2.596 20 0 HFADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@H](C)CCSC ZINC000807051410 1080236059 /nfs/dbraw/zinc/23/60/59/1080236059.db2.gz JGYFWPQZKZELML-ILZDJORESA-N 1 2 420.623 2.707 20 0 HFADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@H](C)CCSC ZINC000807051410 1080236070 /nfs/dbraw/zinc/23/60/70/1080236070.db2.gz JGYFWPQZKZELML-ILZDJORESA-N 1 2 420.623 2.707 20 0 HFADLO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000807150324 1080309086 /nfs/dbraw/zinc/30/90/86/1080309086.db2.gz QCGCRHBSUHPMNX-FGTMMUONSA-N 1 2 403.527 2.631 20 0 HFADLO CC[C@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000807165625 1080322094 /nfs/dbraw/zinc/32/20/94/1080322094.db2.gz JKYSERMBOHHDIT-PKOBYXMFSA-N 1 2 400.567 2.923 20 0 HFADLO CC[C@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000807165617 1080322106 /nfs/dbraw/zinc/32/21/06/1080322106.db2.gz JKYSERMBOHHDIT-HKUYNNGSSA-N 1 2 400.567 2.923 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 ZINC000807284145 1080443159 /nfs/dbraw/zinc/44/31/59/1080443159.db2.gz NQWYXAVDDBZFCQ-GOSISDBHSA-N 1 2 423.860 2.847 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000807283359 1080443723 /nfs/dbraw/zinc/44/37/23/1080443723.db2.gz GZWPTECPQJCVOD-OXQOHEQNSA-N 1 2 405.454 2.576 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1oc2c(cc(Br)cc2C)c1C ZINC000807284374 1080445514 /nfs/dbraw/zinc/44/55/14/1080445514.db2.gz MBPJRJKCSPMURI-CQSZACIVSA-N 1 2 420.263 2.980 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C ZINC000807284407 1080446395 /nfs/dbraw/zinc/44/63/95/1080446395.db2.gz QAHNCCZGRPCLMS-LJQANCHMSA-N 1 2 417.469 2.810 20 0 HFADLO CCc1ccc(N2CCN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc1Cl ZINC000807299790 1080494538 /nfs/dbraw/zinc/49/45/38/1080494538.db2.gz SVMAYMCUAYRYJA-UHFFFAOYSA-N 1 2 411.893 2.837 20 0 HFADLO O=C(NCC[NH+]1Cc2ccccc2C1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000747404253 1080785698 /nfs/dbraw/zinc/78/56/98/1080785698.db2.gz SSCLQBQWFRXRED-UHFFFAOYSA-N 1 2 408.502 2.666 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000807559981 1080814551 /nfs/dbraw/zinc/81/45/51/1080814551.db2.gz KFZXYRVCZAQYGE-WMZOPIPTSA-N 1 2 421.328 2.875 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000807559981 1080814555 /nfs/dbraw/zinc/81/45/55/1080814555.db2.gz KFZXYRVCZAQYGE-WMZOPIPTSA-N 1 2 421.328 2.875 20 0 HFADLO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460699821 1126192131 /nfs/dbraw/zinc/19/21/31/1126192131.db2.gz YPGGOBAIDNUXRW-NRFANRHFSA-N 1 2 412.515 2.882 20 0 HFADLO O=C(c1cccnc1N1CC[C@@H]2COC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164388520 718818127 /nfs/dbraw/zinc/81/81/27/718818127.db2.gz OVBDDPQUTLVBII-NHCUHLMSSA-N 1 2 406.530 2.512 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3c(Cl)ncc(Cl)c3Cl)CC2)C1=O ZINC001164639160 719275044 /nfs/dbraw/zinc/27/50/44/719275044.db2.gz ITTSWJLDBIMQAP-UHFFFAOYSA-N 1 2 421.756 2.801 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3c(Cl)ncc(Cl)c3Cl)CC2)C1=O ZINC001164639160 719275046 /nfs/dbraw/zinc/27/50/46/719275046.db2.gz ITTSWJLDBIMQAP-UHFFFAOYSA-N 1 2 421.756 2.801 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4ccc(Cl)c(C)c4n3)CC2)C1=O ZINC001164641044 719277979 /nfs/dbraw/zinc/27/79/79/719277979.db2.gz RQYVIQZWSQAVNX-UHFFFAOYSA-N 1 2 416.953 2.956 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4ccc(Cl)c(C)c4n3)CC2)C1=O ZINC001164641044 719277983 /nfs/dbraw/zinc/27/79/83/719277983.db2.gz RQYVIQZWSQAVNX-UHFFFAOYSA-N 1 2 416.953 2.956 20 0 HFADLO CCOC(=O)c1nccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673902 719508845 /nfs/dbraw/zinc/50/88/45/719508845.db2.gz UQQMZUPGXUEZMH-UHFFFAOYSA-N 1 2 414.481 2.664 20 0 HFADLO CCOC(=O)c1nccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673902 719508852 /nfs/dbraw/zinc/50/88/52/719508852.db2.gz UQQMZUPGXUEZMH-UHFFFAOYSA-N 1 2 414.481 2.664 20 0 HFADLO CCOC(=O)c1nccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673335 719526030 /nfs/dbraw/zinc/52/60/30/719526030.db2.gz OSOCOVUQNGEGJV-UHFFFAOYSA-N 1 2 414.481 2.664 20 0 HFADLO CCOC(=O)c1nccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673335 719526039 /nfs/dbraw/zinc/52/60/39/719526039.db2.gz OSOCOVUQNGEGJV-UHFFFAOYSA-N 1 2 414.481 2.664 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2nc(Cl)cnc2cc1F ZINC001164707623 719871916 /nfs/dbraw/zinc/87/19/16/719871916.db2.gz UQEUEZVZPIVZGC-RBZFPXEDSA-N 1 2 422.888 2.655 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc(F)c2)nn1 ZINC001164699927 719872387 /nfs/dbraw/zinc/87/23/87/719872387.db2.gz CYUQEVXWGHMDPM-AVRDEDQJSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(C)C)nc(Cl)c1C ZINC001164708428 719876837 /nfs/dbraw/zinc/87/68/37/719876837.db2.gz ZDYXVCPLDMNNDB-FOIQADDNSA-N 1 2 410.946 2.795 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(F)c(-c2ccsc2)n1 ZINC001164699778 719878185 /nfs/dbraw/zinc/87/81/85/719878185.db2.gz IJXSLDFJIRFFIA-MGPUTAFESA-N 1 2 420.510 2.577 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(F)c(C)n4)CC3)C2=O)cs1 ZINC001164821566 720356668 /nfs/dbraw/zinc/35/66/68/720356668.db2.gz BDUZKKOFMLWSPN-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(F)c(C)n4)CC3)C2=O)cs1 ZINC001164821566 720356675 /nfs/dbraw/zinc/35/66/75/720356675.db2.gz BDUZKKOFMLWSPN-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)ccc4F)CC3)C2=O)cs1 ZINC001164826481 720362993 /nfs/dbraw/zinc/36/29/93/720362993.db2.gz VSCFECRWDISCLS-UHFFFAOYSA-N 1 2 423.945 2.952 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)ccc4F)CC3)C2=O)cs1 ZINC001164826481 720362998 /nfs/dbraw/zinc/36/29/98/720362998.db2.gz VSCFECRWDISCLS-UHFFFAOYSA-N 1 2 423.945 2.952 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)cnc4Cl)CC3)C2=O)cs1 ZINC001164820733 720370737 /nfs/dbraw/zinc/37/07/37/720370737.db2.gz RYVIKKGEKSOBEL-UHFFFAOYSA-N 1 2 420.970 2.517 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)cnc4Cl)CC3)C2=O)cs1 ZINC001164820733 720370743 /nfs/dbraw/zinc/37/07/43/720370743.db2.gz RYVIKKGEKSOBEL-UHFFFAOYSA-N 1 2 420.970 2.517 20 0 HFADLO CSc1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820155 720377934 /nfs/dbraw/zinc/37/79/34/720377934.db2.gz LRVJAVZZFNKENU-UHFFFAOYSA-N 1 2 417.604 2.882 20 0 HFADLO CSc1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820155 720377939 /nfs/dbraw/zinc/37/79/39/720377939.db2.gz LRVJAVZZFNKENU-UHFFFAOYSA-N 1 2 417.604 2.882 20 0 HFADLO COC(=O)c1ccc2c(ccnc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1 ZINC001165011731 721701497 /nfs/dbraw/zinc/70/14/97/721701497.db2.gz XEBGPENJVVXDRG-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO COC(=O)c1ccc2c(ccnc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1 ZINC001165011731 721701499 /nfs/dbraw/zinc/70/14/99/721701499.db2.gz XEBGPENJVVXDRG-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H](OCC5CC5)[C@H]5COC[C@H]54)c3C2)cc1 ZINC001165014766 721760770 /nfs/dbraw/zinc/76/07/70/721760770.db2.gz ILLASUPCCVFSBZ-WWNPGLIZSA-N 1 2 406.530 2.665 20 0 HFADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H](OCC5CC5)[C@H]5COC[C@H]54)c3C2)cc1 ZINC001165014766 721760772 /nfs/dbraw/zinc/76/07/72/721760772.db2.gz ILLASUPCCVFSBZ-WWNPGLIZSA-N 1 2 406.530 2.665 20 0 HFADLO CSc1cc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911107 721779061 /nfs/dbraw/zinc/77/90/61/721779061.db2.gz DYLHYEUNJGSMDE-FQEVSTJZSA-N 1 2 420.966 2.960 20 0 HFADLO CSc1cc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911107 721779066 /nfs/dbraw/zinc/77/90/66/721779066.db2.gz DYLHYEUNJGSMDE-FQEVSTJZSA-N 1 2 420.966 2.960 20 0 HFADLO Fc1cccc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164916006 721790886 /nfs/dbraw/zinc/79/08/86/721790886.db2.gz NHYFAKCCZDKPNM-HSZRJFAPSA-N 1 2 408.477 2.877 20 0 HFADLO Fc1cccc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164916006 721790889 /nfs/dbraw/zinc/79/08/89/721790889.db2.gz NHYFAKCCZDKPNM-HSZRJFAPSA-N 1 2 408.477 2.877 20 0 HFADLO c1csc(-c2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)c1 ZINC001164914676 721796332 /nfs/dbraw/zinc/79/63/32/721796332.db2.gz PPQCBZHOHCYMHH-JOCHJYFZSA-N 1 2 423.542 2.708 20 0 HFADLO c1csc(-c2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)c1 ZINC001164914676 721796334 /nfs/dbraw/zinc/79/63/34/721796334.db2.gz PPQCBZHOHCYMHH-JOCHJYFZSA-N 1 2 423.542 2.708 20 0 HFADLO CCOC(=O)c1cc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)ncc1Cl ZINC001164918273 721812968 /nfs/dbraw/zinc/81/29/68/721812968.db2.gz QFZNZIVYRDAYIA-UHFFFAOYSA-N 1 2 403.914 2.858 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c(Cl)ncnc32)CC1 ZINC001164919561 721820676 /nfs/dbraw/zinc/82/06/76/721820676.db2.gz STEJRDGWLHBHKN-UHFFFAOYSA-N 1 2 419.320 2.673 20 0 HFADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165040116 721903531 /nfs/dbraw/zinc/90/35/31/721903531.db2.gz YURCLAKUXVDYJR-AWEZNQCLSA-N 1 2 401.889 2.576 20 0 HFADLO CCc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)nc1C ZINC001164945577 721981302 /nfs/dbraw/zinc/98/13/02/721981302.db2.gz AQDGYKBFMGPQHK-UHFFFAOYSA-N 1 2 413.953 2.972 20 0 HFADLO CCc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)nc1C ZINC001164945577 721981305 /nfs/dbraw/zinc/98/13/05/721981305.db2.gz AQDGYKBFMGPQHK-UHFFFAOYSA-N 1 2 413.953 2.972 20 0 HFADLO COC(=O)c1cc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)cnc1Cl ZINC001165054393 722011169 /nfs/dbraw/zinc/01/11/69/722011169.db2.gz XEJFOHYIBMTKRB-UHFFFAOYSA-N 1 2 410.852 2.826 20 0 HFADLO COC(=O)c1ccc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)c(Cl)n1 ZINC001165054374 722012209 /nfs/dbraw/zinc/01/22/09/722012209.db2.gz WPVLPJUIUALTGV-UHFFFAOYSA-N 1 2 410.852 2.826 20 0 HFADLO COc1ccc(OC)c2c1CN(C(=O)Cn1c(C)[nH+]c3cc(F)c(F)cc31)C[C@H]2O ZINC000793008720 1078047112 /nfs/dbraw/zinc/04/71/12/1078047112.db2.gz DARJPXUOVAYURM-QGZVFWFLSA-N 1 2 417.412 2.716 20 0 HFADLO CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001170138835 1078048476 /nfs/dbraw/zinc/04/84/76/1078048476.db2.gz FWYKAAUFYJMDOS-QZTJIDSGSA-N 1 2 405.543 2.746 20 0 HFADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c3nnnn3C3CC3)ccc2c1 ZINC000790555953 1078055177 /nfs/dbraw/zinc/05/51/77/1078055177.db2.gz URBGTPRWHWWTMN-GJZGRUSLSA-N 1 2 408.506 2.868 20 0 HFADLO O=C(NC[C@@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1)OCc1ccccc1 ZINC000793063050 1078060227 /nfs/dbraw/zinc/06/02/27/1078060227.db2.gz LESKJSUYLNDJDZ-OALUTQOASA-N 1 2 411.506 2.546 20 0 HFADLO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CC[NH2+][C@@H](c4cn[nH]c4)C3)ccc21 ZINC001170141422 1078076727 /nfs/dbraw/zinc/07/67/27/1078076727.db2.gz UJGRTDAZIZXZCK-GOSISDBHSA-N 1 2 411.506 2.884 20 0 HFADLO C[C@@]1(NC(=O)NCc2ccn3cc[nH+]c3c2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793103303 1078078331 /nfs/dbraw/zinc/07/83/31/1078078331.db2.gz NCJCIFWPZPXQTO-JOCHJYFZSA-N 1 2 407.474 2.935 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1ccc2cc(I)ccc2n1 ZINC000793251876 1078110808 /nfs/dbraw/zinc/11/08/08/1078110808.db2.gz BHFFRTUNTFMABF-UHFFFAOYSA-N 1 2 407.211 2.972 20 0 HFADLO COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCCc1c[nH+]cn1C ZINC000793253893 1078111121 /nfs/dbraw/zinc/11/11/21/1078111121.db2.gz UOGNDIUWAMKCMT-UHFFFAOYSA-N 1 2 419.437 2.624 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000793260056 1078112650 /nfs/dbraw/zinc/11/26/50/1078112650.db2.gz ZNTCODZVYLWFJR-KRWDZBQOSA-N 1 2 403.483 2.588 20 0 HFADLO C[C@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC2(CCOCC2)O1 ZINC000790763666 1078113695 /nfs/dbraw/zinc/11/36/95/1078113695.db2.gz UZOWTZMYXQKACH-SFHVURJKSA-N 1 2 416.566 2.701 20 0 HFADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000793408900 1078158257 /nfs/dbraw/zinc/15/82/57/1078158257.db2.gz HHNUGNJDEOBDSQ-KRWDZBQOSA-N 1 2 403.527 2.876 20 0 HFADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 ZINC000747121874 1078176340 /nfs/dbraw/zinc/17/63/40/1078176340.db2.gz MATXBAKAUHCMKW-UHFFFAOYSA-N 1 2 409.530 2.798 20 0 HFADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H](F)CC1CCCCC1 ZINC000793497773 1078203336 /nfs/dbraw/zinc/20/33/36/1078203336.db2.gz KOFOSGWBRBVUPJ-RTBURBONSA-N 1 2 419.545 2.707 20 0 HFADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H](F)CC1CCCCC1 ZINC000793497773 1078203337 /nfs/dbraw/zinc/20/33/37/1078203337.db2.gz KOFOSGWBRBVUPJ-RTBURBONSA-N 1 2 419.545 2.707 20 0 HFADLO C[N@H+](Cn1ccc(-c2cc(Cl)ccc2Cl)n1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793585919 1078215470 /nfs/dbraw/zinc/21/54/70/1078215470.db2.gz CRXLIXWGLHTCEM-ZDUSSCGKSA-N 1 2 403.335 2.780 20 0 HFADLO C[N@@H+](Cn1ccc(-c2cc(Cl)ccc2Cl)n1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793585919 1078215472 /nfs/dbraw/zinc/21/54/72/1078215472.db2.gz CRXLIXWGLHTCEM-ZDUSSCGKSA-N 1 2 403.335 2.780 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000793608585 1078226990 /nfs/dbraw/zinc/22/69/90/1078226990.db2.gz IHLDZOUKJQNQCM-LEWJYISDSA-N 1 2 404.470 2.525 20 0 HFADLO CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)CCc1c[nH+]cn1C ZINC000793644348 1078239592 /nfs/dbraw/zinc/23/95/92/1078239592.db2.gz SHPUDGFPMPXYGT-UHFFFAOYSA-N 1 2 404.414 2.717 20 0 HFADLO CC(C)C1(C(C)C)NC(=O)N(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793724472 1078266321 /nfs/dbraw/zinc/26/63/21/1078266321.db2.gz UEQBAMZXLSYJQU-DLBZAZTESA-N 1 2 422.570 2.878 20 0 HFADLO CC(C)C1(C(C)C)NC(=O)N(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793724472 1078266326 /nfs/dbraw/zinc/26/63/26/1078266326.db2.gz UEQBAMZXLSYJQU-DLBZAZTESA-N 1 2 422.570 2.878 20 0 HFADLO Cc1ccc(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c(N(C)C)[nH+]1 ZINC000793728667 1078274392 /nfs/dbraw/zinc/27/43/92/1078274392.db2.gz JKLBHOSQXVZJEF-ROUUACIJSA-N 1 2 419.485 2.986 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000793744015 1078287933 /nfs/dbraw/zinc/28/79/33/1078287933.db2.gz FIAQXIIEFSFUEZ-IFMALSPDSA-N 1 2 418.497 2.773 20 0 HFADLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000793770150 1078306914 /nfs/dbraw/zinc/30/69/14/1078306914.db2.gz QOEDKKKIXOEMNC-LSDHHAIUSA-N 1 2 405.905 2.697 20 0 HFADLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000793770144 1078306971 /nfs/dbraw/zinc/30/69/71/1078306971.db2.gz QOEDKKKIXOEMNC-CABCVRRESA-N 1 2 405.905 2.697 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC000793811253 1078314551 /nfs/dbraw/zinc/31/45/51/1078314551.db2.gz GRAMAXARVTUXBU-MDNKFWRPSA-N 1 2 421.582 2.782 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC000793811253 1078314556 /nfs/dbraw/zinc/31/45/56/1078314556.db2.gz GRAMAXARVTUXBU-MDNKFWRPSA-N 1 2 421.582 2.782 20 0 HFADLO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC001170439207 1078328760 /nfs/dbraw/zinc/32/87/60/1078328760.db2.gz ZKYHWABSZXRKRE-GOSISDBHSA-N 1 2 420.506 2.882 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000793946600 1078354653 /nfs/dbraw/zinc/35/46/53/1078354653.db2.gz BNJXIFNGUSFLKU-LJQANCHMSA-N 1 2 412.440 2.882 20 0 HFADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000794206481 1078384469 /nfs/dbraw/zinc/38/44/69/1078384469.db2.gz NOBKREWUCARBKF-QFIPXVFZSA-N 1 2 421.432 2.930 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804437917 1078483479 /nfs/dbraw/zinc/48/34/79/1078483479.db2.gz JEEZGPZGEQTGEC-BOCKYXSRSA-N 1 2 417.550 2.748 20 0 HFADLO CN1C(=O)C[C@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H]1c1cccc(F)c1 ZINC001129476063 1078475664 /nfs/dbraw/zinc/47/56/64/1078475664.db2.gz UEEINHDCGBFATC-RBBKRZOGSA-N 1 2 406.461 2.906 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC000804436989 1078481169 /nfs/dbraw/zinc/48/11/69/1078481169.db2.gz UXBWUHDRAGUZFV-SLHNCBLASA-N 1 2 421.582 2.876 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000804439087 1078484255 /nfs/dbraw/zinc/48/42/55/1078484255.db2.gz VKRQMAQFMVEZDX-ZBFHGGJFSA-N 1 2 419.323 2.570 20 0 HFADLO CCNc1nc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000804443222 1078507915 /nfs/dbraw/zinc/50/79/15/1078507915.db2.gz VHROSYNDGJHLQV-UHFFFAOYSA-N 1 2 407.563 2.771 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)c2csc(-c3ccc(F)c(F)c3)n2)CC1 ZINC001129823253 1078518350 /nfs/dbraw/zinc/51/83/50/1078518350.db2.gz USFZVFBQJPRYOC-UHFFFAOYSA-N 1 2 411.474 2.508 20 0 HFADLO C[C@H]1CC[C@@H](CNC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)O1 ZINC001129519847 1078531367 /nfs/dbraw/zinc/53/13/67/1078531367.db2.gz LUXFWXQLMYBJML-HKUYNNGSSA-N 1 2 405.539 2.697 20 0 HFADLO C[C@H]1CC[C@@H](CNC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)O1 ZINC001129519847 1078531371 /nfs/dbraw/zinc/53/13/71/1078531371.db2.gz LUXFWXQLMYBJML-HKUYNNGSSA-N 1 2 405.539 2.697 20 0 HFADLO C[C@@H]1CCC[C@H](OCC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000804762436 1078614522 /nfs/dbraw/zinc/61/45/22/1078614522.db2.gz SPBLSGFGFIBCAH-QRVBRYPASA-N 1 2 409.571 2.735 20 0 HFADLO Cn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c2ccccc21 ZINC000804760739 1078609159 /nfs/dbraw/zinc/60/91/59/1078609159.db2.gz ZFROOFRXGDIPNR-QGZVFWFLSA-N 1 2 412.534 2.946 20 0 HFADLO C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760787 1078612997 /nfs/dbraw/zinc/61/29/97/1078612997.db2.gz OQEZSPWPOXQMQX-QRVBRYPASA-N 1 2 409.571 2.735 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CNc3cccc(Cl)c3)C2)CC1 ZINC000804765009 1078622145 /nfs/dbraw/zinc/62/21/45/1078622145.db2.gz RENFKJYVMBZPGD-SFHVURJKSA-N 1 2 422.957 2.906 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)C(C)(C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001129698428 1078657651 /nfs/dbraw/zinc/65/76/51/1078657651.db2.gz IWCCTERTTLOFPM-UHFFFAOYSA-N 1 2 418.456 2.668 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)C(C)(C)c2ccc(Br)cc2)CC1 ZINC001129698483 1078657661 /nfs/dbraw/zinc/65/76/61/1078657661.db2.gz KHQDBUWNVYXEET-UHFFFAOYSA-N 1 2 413.356 2.532 20 0 HFADLO Cc1cc(C(F)(F)F)c(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 ZINC000804833944 1078676411 /nfs/dbraw/zinc/67/64/11/1078676411.db2.gz QASNQIKWALTMIE-AWEZNQCLSA-N 1 2 415.460 2.935 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)nn3)C2)CC1 ZINC000804835567 1078676937 /nfs/dbraw/zinc/67/69/37/1078676937.db2.gz YITKGWLMWSKJMY-ZDUSSCGKSA-N 1 2 401.433 2.627 20 0 HFADLO C[C@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(I)cc1 ZINC001129727514 1078677464 /nfs/dbraw/zinc/67/74/64/1078677464.db2.gz LZTHGGUGJMMAQD-ZDUSSCGKSA-N 1 2 416.303 2.622 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3nccc4c3C(=O)OC4(C)C)C2)CC1 ZINC000804835128 1078678130 /nfs/dbraw/zinc/67/81/30/1078678130.db2.gz HFSHQJDPLCJEPJ-OAHLLOKOSA-N 1 2 416.522 2.619 20 0 HFADLO OC1(c2ccccc2)CN(c2nc(N3CC(O)(c4ccccc4)C3)c(C3CC3)c[nH+]2)C1 ZINC000804837802 1078679145 /nfs/dbraw/zinc/67/91/45/1078679145.db2.gz UXMBUPIUHFYGOZ-UHFFFAOYSA-N 1 2 414.509 2.770 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC[C@@H]3CC3(Cl)Cl)C2)CC1 ZINC000804941917 1078766444 /nfs/dbraw/zinc/76/64/44/1078766444.db2.gz HBNQFPDNPAGEDH-KBPBESRZSA-N 1 2 421.369 2.517 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1C ZINC000805028986 1078840255 /nfs/dbraw/zinc/84/02/55/1078840255.db2.gz FFXHPVRPUQDIMS-XEGUGMAKSA-N 1 2 416.444 2.694 20 0 HFADLO COCCCONC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000805037925 1078883414 /nfs/dbraw/zinc/88/34/14/1078883414.db2.gz MKAZIDNMSKYFQU-UHFFFAOYSA-N 1 2 418.925 2.755 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000805100251 1078886984 /nfs/dbraw/zinc/88/69/84/1078886984.db2.gz XFRXYPSGCKARFZ-INIZCTEOSA-N 1 2 424.492 2.707 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000805100251 1078886991 /nfs/dbraw/zinc/88/69/91/1078886991.db2.gz XFRXYPSGCKARFZ-INIZCTEOSA-N 1 2 424.492 2.707 20 0 HFADLO C[C@H](NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000805136867 1078933611 /nfs/dbraw/zinc/93/36/11/1078933611.db2.gz KMHYEWZTSBLMNH-SPEDKVCISA-N 1 2 424.586 2.528 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000805474135 1079090929 /nfs/dbraw/zinc/09/09/29/1079090929.db2.gz OBKZLBIIZFRTHK-HZMBPMFUSA-N 1 2 408.804 2.950 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000805474135 1079090934 /nfs/dbraw/zinc/09/09/34/1079090934.db2.gz OBKZLBIIZFRTHK-HZMBPMFUSA-N 1 2 408.804 2.950 20 0 HFADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC=CO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805515933 1079114539 /nfs/dbraw/zinc/11/45/39/1079114539.db2.gz DUWFZRWXDPIZQL-MNEFBYGVSA-N 1 2 423.916 2.928 20 0 HFADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC=CO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805515933 1079114542 /nfs/dbraw/zinc/11/45/42/1079114542.db2.gz DUWFZRWXDPIZQL-MNEFBYGVSA-N 1 2 423.916 2.928 20 0 HFADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)C(C)(C)C3CC3)CC2)cc1OC ZINC000805702672 1079224050 /nfs/dbraw/zinc/22/40/50/1079224050.db2.gz YSZWOBGLXOEOMV-UHFFFAOYSA-N 1 2 418.534 2.636 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000805775598 1079247929 /nfs/dbraw/zinc/24/79/29/1079247929.db2.gz GXRCCNVYXVUEDU-QGZVFWFLSA-N 1 2 416.522 2.508 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000805775598 1079247930 /nfs/dbraw/zinc/24/79/30/1079247930.db2.gz GXRCCNVYXVUEDU-QGZVFWFLSA-N 1 2 416.522 2.508 20 0 HFADLO C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2Cl)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787506 1079253984 /nfs/dbraw/zinc/25/39/84/1079253984.db2.gz RGQNOJOPUQORLM-JFILPPLUSA-N 1 2 408.848 2.857 20 0 HFADLO C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2Cl)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787506 1079253989 /nfs/dbraw/zinc/25/39/89/1079253989.db2.gz RGQNOJOPUQORLM-JFILPPLUSA-N 1 2 408.848 2.857 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)ccc1F ZINC000747267830 1079263654 /nfs/dbraw/zinc/26/36/54/1079263654.db2.gz KHZNKJASYQIFHY-UHFFFAOYSA-N 1 2 420.506 2.897 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)ccc1F ZINC000747267830 1079263661 /nfs/dbraw/zinc/26/36/61/1079263661.db2.gz KHZNKJASYQIFHY-UHFFFAOYSA-N 1 2 420.506 2.897 20 0 HFADLO O=C(C[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1)NC(=O)NCc1ccco1 ZINC000805826475 1079296678 /nfs/dbraw/zinc/29/66/78/1079296678.db2.gz AXFZOZLJWHREJS-KRWDZBQOSA-N 1 2 420.510 2.519 20 0 HFADLO O=C(C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1)NC(=O)NCc1ccco1 ZINC000805826475 1079296683 /nfs/dbraw/zinc/29/66/83/1079296683.db2.gz AXFZOZLJWHREJS-KRWDZBQOSA-N 1 2 420.510 2.519 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H](O)CSC ZINC000805829801 1079298154 /nfs/dbraw/zinc/29/81/54/1079298154.db2.gz PJTBVCLQFULFGD-INWMFGNUSA-N 1 2 406.470 2.603 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@@H](O)CSC ZINC000805829801 1079298159 /nfs/dbraw/zinc/29/81/59/1079298159.db2.gz PJTBVCLQFULFGD-INWMFGNUSA-N 1 2 406.470 2.603 20 0 HFADLO C[C@@H]1C[N@H+](CCCOc2c(Br)cccc2Br)CC(=O)N1 ZINC001170491768 1079330642 /nfs/dbraw/zinc/33/06/42/1079330642.db2.gz YHVMIXXFGPIPLR-SNVBAGLBSA-N 1 2 406.118 2.801 20 0 HFADLO C[C@@H]1C[N@@H+](CCCOc2c(Br)cccc2Br)CC(=O)N1 ZINC001170491768 1079330649 /nfs/dbraw/zinc/33/06/49/1079330649.db2.gz YHVMIXXFGPIPLR-SNVBAGLBSA-N 1 2 406.118 2.801 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](n3cc[nH+]c3)Cc3ccccc32)ccc1F ZINC000747281383 1079353189 /nfs/dbraw/zinc/35/31/89/1079353189.db2.gz FJYAZLHFDSTBHE-OAHLLOKOSA-N 1 2 415.446 2.802 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3ccc4c(c3)CCO4)C2)CC1 ZINC000806196985 1079484966 /nfs/dbraw/zinc/48/49/66/1079484966.db2.gz QTGWSQOUTOAFQK-SFHVURJKSA-N 1 2 416.522 2.780 20 0 HFADLO COC(=O)N1CCC(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000806213608 1079497676 /nfs/dbraw/zinc/49/76/76/1079497676.db2.gz VCDCBIAVSCNTEJ-IAGOWNOFSA-N 1 2 418.538 2.896 20 0 HFADLO CCOC(C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1)OCC ZINC000787309213 1076756294 /nfs/dbraw/zinc/75/62/94/1076756294.db2.gz SZASCWOPRZKTKA-UHFFFAOYSA-N 1 2 405.322 2.916 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)n[nH]2)C1 ZINC000787310498 1076757243 /nfs/dbraw/zinc/75/72/43/1076757243.db2.gz OOJKTFHORWEQOG-LSDHHAIUSA-N 1 2 414.510 2.877 20 0 HFADLO C[C@@H]1CC[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@H]1c1cccc(F)c1 ZINC000746676806 1076757736 /nfs/dbraw/zinc/75/77/36/1076757736.db2.gz APEAJSHLIOQOLF-XGBRFYKISA-N 1 2 416.497 2.741 20 0 HFADLO C[C@@H]1CC[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@H]1c1cccc(F)c1 ZINC000746676806 1076757742 /nfs/dbraw/zinc/75/77/42/1076757742.db2.gz APEAJSHLIOQOLF-XGBRFYKISA-N 1 2 416.497 2.741 20 0 HFADLO C[C@H]1C[C@H]1c1ccc(CNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)o1 ZINC000787322846 1076764591 /nfs/dbraw/zinc/76/45/91/1076764591.db2.gz BCEKDSUMJBZPQO-HRAATJIYSA-N 1 2 424.545 2.870 20 0 HFADLO Cc1c(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cnn1C ZINC000787388921 1076804970 /nfs/dbraw/zinc/80/49/70/1076804970.db2.gz GBVTYHWNUKVUHX-UHFFFAOYSA-N 1 2 420.355 2.814 20 0 HFADLO Cc1ccc([C@@H](CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)[NH+]2CCCC2)o1 ZINC000746688658 1076858083 /nfs/dbraw/zinc/85/80/83/1076858083.db2.gz JENDIAFMZRBIQF-QGZVFWFLSA-N 1 2 412.515 2.540 20 0 HFADLO Nc1cc(COC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc[nH+]1 ZINC000787600776 1076888082 /nfs/dbraw/zinc/88/80/82/1076888082.db2.gz YJOBIXUPEKXZRO-UHFFFAOYSA-N 1 2 401.422 2.860 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@H](O)c3ccccc3)cc2Br)CC1 ZINC000787673215 1076906960 /nfs/dbraw/zinc/90/69/60/1076906960.db2.gz VNEMEVUYCBNTLS-GOSISDBHSA-N 1 2 404.308 2.873 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([NH+]2CCN(C(=O)CC3CCCCC3)CC2)C1 ZINC000787711238 1076922255 /nfs/dbraw/zinc/92/22/55/1076922255.db2.gz NYULHDPWSLHTKY-WMZHIEFXSA-N 1 2 423.598 2.861 20 0 HFADLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)[C@H](O)c3ccc4c(c3)OCO4)cn2c1 ZINC000787737788 1076936702 /nfs/dbraw/zinc/93/67/02/1076936702.db2.gz YGUWIOCWPSYRII-QKKBWIMNSA-N 1 2 413.499 2.843 20 0 HFADLO Cc1cnc(Cl)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000787892832 1076981109 /nfs/dbraw/zinc/98/11/09/1076981109.db2.gz YRSBLNRNULDECX-GOEBONIOSA-N 1 2 408.836 2.822 20 0 HFADLO Cc1cnc(Cl)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000787892832 1076981113 /nfs/dbraw/zinc/98/11/13/1076981113.db2.gz YRSBLNRNULDECX-GOEBONIOSA-N 1 2 408.836 2.822 20 0 HFADLO C[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(OC(F)F)cc1 ZINC000787855080 1076981713 /nfs/dbraw/zinc/98/17/13/1076981713.db2.gz MZPWPLXDUXTXBW-ZFWWWQNUSA-N 1 2 406.433 2.605 20 0 HFADLO CCN(CC)C(=O)C1CC[NH+](CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000746715709 1077003456 /nfs/dbraw/zinc/00/34/56/1077003456.db2.gz HGYDKDFDLDJUDW-ZHRRBRCNSA-N 1 2 406.571 2.661 20 0 HFADLO COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787998093 1077023544 /nfs/dbraw/zinc/02/35/44/1077023544.db2.gz WCEIUOFOMMBFDE-JOCHJYFZSA-N 1 2 403.523 2.787 20 0 HFADLO COc1ccccc1CNC(=O)C[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787998093 1077023553 /nfs/dbraw/zinc/02/35/53/1077023553.db2.gz WCEIUOFOMMBFDE-JOCHJYFZSA-N 1 2 403.523 2.787 20 0 HFADLO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788002893 1077025170 /nfs/dbraw/zinc/02/51/70/1077025170.db2.gz CDNXLLUVCPNNTE-UHFFFAOYSA-N 1 2 411.930 2.939 20 0 HFADLO Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c1 ZINC000788004487 1077025953 /nfs/dbraw/zinc/02/59/53/1077025953.db2.gz UQTLQVZWKJPLQG-KRWDZBQOSA-N 1 2 405.539 2.982 20 0 HFADLO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788239600 1077084490 /nfs/dbraw/zinc/08/44/90/1077084490.db2.gz ARDQRINZIYOMDX-AWEZNQCLSA-N 1 2 409.490 2.893 20 0 HFADLO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788239600 1077084495 /nfs/dbraw/zinc/08/44/95/1077084495.db2.gz ARDQRINZIYOMDX-AWEZNQCLSA-N 1 2 409.490 2.893 20 0 HFADLO Cn1cc(-n2cc(C(=O)N[C@H]3CCc4[nH+]c(C5CCCCC5)[nH]c4C3)ccc2=O)cn1 ZINC000788242769 1077085230 /nfs/dbraw/zinc/08/52/30/1077085230.db2.gz LEQZNUGBBKLEGN-KRWDZBQOSA-N 1 2 420.517 2.629 20 0 HFADLO Cn1cc(-n2cc(C(=O)N[C@H]3CCc4[nH]c(C5CCCCC5)[nH+]c4C3)ccc2=O)cn1 ZINC000788242769 1077085233 /nfs/dbraw/zinc/08/52/33/1077085233.db2.gz LEQZNUGBBKLEGN-KRWDZBQOSA-N 1 2 420.517 2.629 20 0 HFADLO CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CC1 ZINC000788247436 1077086310 /nfs/dbraw/zinc/08/63/10/1077086310.db2.gz URKCSMWUQTXFTB-QGZVFWFLSA-N 1 2 401.555 2.825 20 0 HFADLO CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CC1 ZINC000788247436 1077086316 /nfs/dbraw/zinc/08/63/16/1077086316.db2.gz URKCSMWUQTXFTB-QGZVFWFLSA-N 1 2 401.555 2.825 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000788461697 1077167294 /nfs/dbraw/zinc/16/72/94/1077167294.db2.gz GKBNKZZDTKKDAS-SFHVURJKSA-N 1 2 410.474 2.981 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000788543136 1077194696 /nfs/dbraw/zinc/19/46/96/1077194696.db2.gz XLQSSHSDZGSUBQ-ZACQAIPSSA-N 1 2 408.518 2.624 20 0 HFADLO Cc1nc(NCc2ccc([C@@H](C)O)c(C)n2)nc(NCc2ccc([C@@H](C)O)c(C)n2)[nH+]1 ZINC000788548285 1077196660 /nfs/dbraw/zinc/19/66/60/1077196660.db2.gz XZFCCPWNZVOAKZ-HUUCEWRRSA-N 1 2 423.521 2.918 20 0 HFADLO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)=NO1 ZINC000788632919 1077238358 /nfs/dbraw/zinc/23/83/58/1077238358.db2.gz VDHIXLUTTLNLPK-CQSZACIVSA-N 1 2 423.539 2.737 20 0 HFADLO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c(Cl)n1 ZINC000788635686 1077240570 /nfs/dbraw/zinc/24/05/70/1077240570.db2.gz VWOZMNBXCXXRLF-MRXNPFEDSA-N 1 2 408.955 2.532 20 0 HFADLO CO[C@@H]1CCOc2c(NC(=O)C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cccc21 ZINC000790917003 1077249426 /nfs/dbraw/zinc/24/94/26/1077249426.db2.gz YBTWNNNTPMOQEC-LJQANCHMSA-N 1 2 406.442 2.597 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3cn(C(C)(C)C)nn3)cc2Br)CC1 ZINC000790955171 1077253718 /nfs/dbraw/zinc/25/37/18/1077253718.db2.gz CCXPLTBMOVYOTD-UHFFFAOYSA-N 1 2 421.343 2.800 20 0 HFADLO C[C@H](Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c[nH+]1)C(C)(C)n1cncn1 ZINC000788706508 1077265878 /nfs/dbraw/zinc/26/58/78/1077265878.db2.gz VNDVBQIDBXACQA-INIZCTEOSA-N 1 2 415.542 2.966 20 0 HFADLO C[C@H]1C[N@H+](CCNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCO1 ZINC000788766549 1077281759 /nfs/dbraw/zinc/28/17/59/1077281759.db2.gz LMAOOZAYQGMQRK-ZFWWWQNUSA-N 1 2 401.338 2.592 20 0 HFADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCO1 ZINC000788766549 1077281766 /nfs/dbraw/zinc/28/17/66/1077281766.db2.gz LMAOOZAYQGMQRK-ZFWWWQNUSA-N 1 2 401.338 2.592 20 0 HFADLO O=C(C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000791049051 1077283327 /nfs/dbraw/zinc/28/33/27/1077283327.db2.gz YLGDTUMVVMGDFI-LJQANCHMSA-N 1 2 420.469 2.696 20 0 HFADLO O=C(C[N@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000791049051 1077283334 /nfs/dbraw/zinc/28/33/34/1077283334.db2.gz YLGDTUMVVMGDFI-LJQANCHMSA-N 1 2 420.469 2.696 20 0 HFADLO O=C(/C=C/c1ccc(I)o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788831660 1077313641 /nfs/dbraw/zinc/31/36/41/1077313641.db2.gz IMEPMDBOAPFFEP-KWEXDPCDSA-N 1 2 410.211 2.972 20 0 HFADLO O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788833894 1077314624 /nfs/dbraw/zinc/31/46/24/1077314624.db2.gz ZIJLUMFGTRGEMD-QGZVFWFLSA-N 1 2 412.467 2.942 20 0 HFADLO NS(=O)(=O)c1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1Cl ZINC000788837861 1077316063 /nfs/dbraw/zinc/31/60/63/1077316063.db2.gz VMCQALDLWXEBDT-UHFFFAOYSA-N 1 2 422.938 2.540 20 0 HFADLO CC(C)[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H](O)c1ccccc1 ZINC000788850109 1077319648 /nfs/dbraw/zinc/31/96/48/1077319648.db2.gz XFBDNQPXFXFBTL-XPWALMASSA-N 1 2 411.546 2.945 20 0 HFADLO CC(C)[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H](O)c1ccccc1 ZINC000788850109 1077319654 /nfs/dbraw/zinc/31/96/54/1077319654.db2.gz XFBDNQPXFXFBTL-XPWALMASSA-N 1 2 411.546 2.945 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000788951903 1077360561 /nfs/dbraw/zinc/36/05/61/1077360561.db2.gz SGGZMNALLGGNLQ-QGZVFWFLSA-N 1 2 412.575 2.576 20 0 HFADLO COc1cc(OC)cc(C(=O)NCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000791296099 1077360665 /nfs/dbraw/zinc/36/06/65/1077360665.db2.gz NPFIMLMUUMATAM-UHFFFAOYSA-N 1 2 409.442 2.671 20 0 HFADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000791305064 1077365263 /nfs/dbraw/zinc/36/52/63/1077365263.db2.gz IKBBHQAQJYEDPU-FQEVSTJZSA-N 1 2 415.440 2.606 20 0 HFADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000772772027 1077375716 /nfs/dbraw/zinc/37/57/16/1077375716.db2.gz RJXVTRQHGBBJFL-UHFFFAOYSA-N 1 2 402.926 2.905 20 0 HFADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000772772027 1077375723 /nfs/dbraw/zinc/37/57/23/1077375723.db2.gz RJXVTRQHGBBJFL-UHFFFAOYSA-N 1 2 402.926 2.905 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(Br)n[nH]1 ZINC000791351072 1077390700 /nfs/dbraw/zinc/39/07/00/1077390700.db2.gz NMIVNBOTIXXPEW-CQSZACIVSA-N 1 2 407.312 2.535 20 0 HFADLO CCOC(=O)c1cnn2c1nccc2C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791431436 1077405800 /nfs/dbraw/zinc/40/58/00/1077405800.db2.gz QSGJWAJWBAFPRV-UHFFFAOYSA-N 1 2 405.414 2.757 20 0 HFADLO CC(=O)c1cc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1C ZINC000789136788 1077407004 /nfs/dbraw/zinc/40/70/04/1077407004.db2.gz FLXITBIBYALTCE-UHFFFAOYSA-N 1 2 400.500 2.760 20 0 HFADLO Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)OCc2cc[nH+]c(N)c2)c1O ZINC000791482557 1077423477 /nfs/dbraw/zinc/42/34/77/1077423477.db2.gz NEAFBYQNDKKIEM-UHFFFAOYSA-N 1 2 417.421 2.831 20 0 HFADLO Cc1nc(CC2CC2)oc1C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000789144874 1077432946 /nfs/dbraw/zinc/43/29/46/1077432946.db2.gz PLUKRBJBFNQXCH-UHFFFAOYSA-N 1 2 413.474 2.563 20 0 HFADLO O=C(NC1CCCCC1)NC1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000791472738 1077444969 /nfs/dbraw/zinc/44/49/69/1077444969.db2.gz HKKXDFHJVFKFRR-UHFFFAOYSA-N 1 2 407.580 2.698 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)C2)c1 ZINC000791526714 1077455042 /nfs/dbraw/zinc/45/50/42/1077455042.db2.gz ZSPBLFUWIQTBCD-OAQYLSRUSA-N 1 2 424.501 2.899 20 0 HFADLO COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000789206822 1077462090 /nfs/dbraw/zinc/46/20/90/1077462090.db2.gz PORBQBMYZFPIGU-WMZOPIPTSA-N 1 2 417.554 2.975 20 0 HFADLO Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)OCc2cc[nH+]c(N)c2)c(C)c1C ZINC000791571395 1077466288 /nfs/dbraw/zinc/46/62/88/1077466288.db2.gz STUKIDKBDGVIFN-UHFFFAOYSA-N 1 2 405.520 2.618 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)c(C)c1 ZINC000789236813 1077486482 /nfs/dbraw/zinc/48/64/82/1077486482.db2.gz IHTDCCRMVNNBQY-UXHICEINSA-N 1 2 408.502 2.975 20 0 HFADLO COc1cccc(C2=NO[C@@H](C(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)C2)c1 ZINC000791602510 1077500806 /nfs/dbraw/zinc/50/08/06/1077500806.db2.gz JHGWUIKZAXVJHG-JOCHJYFZSA-N 1 2 409.486 2.968 20 0 HFADLO CC[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000789293971 1077500928 /nfs/dbraw/zinc/50/09/28/1077500928.db2.gz NNWCJNKJJNCDRF-VAMGGRTRSA-N 1 2 408.564 2.933 20 0 HFADLO CC[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000789293971 1077500936 /nfs/dbraw/zinc/50/09/36/1077500936.db2.gz NNWCJNKJJNCDRF-VAMGGRTRSA-N 1 2 408.564 2.933 20 0 HFADLO COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)OCc3cc[nH+]c(N)c3)c2)c1 ZINC000791704119 1077533710 /nfs/dbraw/zinc/53/37/10/1077533710.db2.gz SGKTULMKTFINRS-UHFFFAOYSA-N 1 2 423.425 2.996 20 0 HFADLO CCCOc1nc(C)ccc1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000791735261 1077543917 /nfs/dbraw/zinc/54/39/17/1077543917.db2.gz YGWZOVBFLSVZFN-UHFFFAOYSA-N 1 2 417.531 2.742 20 0 HFADLO CCNC(=O)Nc1cccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000789375332 1077544989 /nfs/dbraw/zinc/54/49/89/1077544989.db2.gz UOJLROAYEFKLAR-KRWDZBQOSA-N 1 2 414.510 2.503 20 0 HFADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3c(F)c(F)c(F)c(F)c3F)[nH+]c12 ZINC000746810851 1077553273 /nfs/dbraw/zinc/55/32/73/1077553273.db2.gz CYNHHQUXBNEMIG-UHFFFAOYSA-N 1 2 412.318 2.636 20 0 HFADLO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000746818423 1077571609 /nfs/dbraw/zinc/57/16/09/1077571609.db2.gz BDMMTVDNPVDKKJ-SFHVURJKSA-N 1 2 405.539 2.713 20 0 HFADLO C[C@@]1(C2CCCC2)NC(=O)N(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O ZINC000789440221 1077572957 /nfs/dbraw/zinc/57/29/57/1077572957.db2.gz BJDXKVYNHYNERT-NRFANRHFSA-N 1 2 406.477 2.935 20 0 HFADLO C[C@@]1(C2CCCC2)NC(=O)N(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O ZINC000789440221 1077572960 /nfs/dbraw/zinc/57/29/60/1077572960.db2.gz BJDXKVYNHYNERT-NRFANRHFSA-N 1 2 406.477 2.935 20 0 HFADLO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000789457784 1077581878 /nfs/dbraw/zinc/58/18/78/1077581878.db2.gz WIVLZUWDGCLKAG-QGZVFWFLSA-N 1 2 403.433 2.953 20 0 HFADLO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000789457784 1077581883 /nfs/dbraw/zinc/58/18/83/1077581883.db2.gz WIVLZUWDGCLKAG-QGZVFWFLSA-N 1 2 403.433 2.953 20 0 HFADLO Cc1csc([C@@](O)(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C(F)(F)F)n1 ZINC000746823550 1077594568 /nfs/dbraw/zinc/59/45/68/1077594568.db2.gz OZOAVCIIJFQIFC-KRWDZBQOSA-N 1 2 414.453 2.903 20 0 HFADLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521390 1077617279 /nfs/dbraw/zinc/61/72/79/1077617279.db2.gz MTOGXPPXUHLXJN-WZONZLPQSA-N 1 2 418.541 2.948 20 0 HFADLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521390 1077617284 /nfs/dbraw/zinc/61/72/84/1077617284.db2.gz MTOGXPPXUHLXJN-WZONZLPQSA-N 1 2 418.541 2.948 20 0 HFADLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789526569 1077622782 /nfs/dbraw/zinc/62/27/82/1077622782.db2.gz RSZAEQZJMDBJNX-WAOWUJCRSA-N 1 2 409.530 2.994 20 0 HFADLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789526569 1077622786 /nfs/dbraw/zinc/62/27/86/1077622786.db2.gz RSZAEQZJMDBJNX-WAOWUJCRSA-N 1 2 409.530 2.994 20 0 HFADLO Cn1cc([C@@H]2CN(C(=O)C3(c4cc(F)cc(Br)c4)CC3)CC[NH2+]2)cn1 ZINC001170110851 1077629171 /nfs/dbraw/zinc/62/91/71/1077629171.db2.gz AFRXVHCPIRVXQK-INIZCTEOSA-N 1 2 407.287 2.526 20 0 HFADLO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792015922 1077651639 /nfs/dbraw/zinc/65/16/39/1077651639.db2.gz KAZNTAGIDLWJPR-NSHDSACASA-N 1 2 413.293 2.580 20 0 HFADLO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000746830943 1077680756 /nfs/dbraw/zinc/68/07/56/1077680756.db2.gz WZMYPPLOCLMXPN-MRXNPFEDSA-N 1 2 418.538 2.516 20 0 HFADLO CCS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000792049678 1077693835 /nfs/dbraw/zinc/69/38/35/1077693835.db2.gz QUBSMNIZNXRFHG-UHFFFAOYSA-N 1 2 404.517 2.727 20 0 HFADLO C[C@H](CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)NC(=O)OC(C)(C)C ZINC000792104082 1077698180 /nfs/dbraw/zinc/69/81/80/1077698180.db2.gz HHRFVPSDUDVCLY-MRXNPFEDSA-N 1 2 419.570 2.934 20 0 HFADLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3ccc(S(C)(=O)=O)cc3)c2)n1 ZINC000789592455 1077700847 /nfs/dbraw/zinc/70/08/47/1077700847.db2.gz VLPOYFQEKWBTTK-UHFFFAOYSA-N 1 2 412.515 2.999 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cc(Cl)ccc2N2CCCCC2)[nH+]1 ZINC000789601713 1077704810 /nfs/dbraw/zinc/70/48/10/1077704810.db2.gz UDEJGMYKLIQURF-UHFFFAOYSA-N 1 2 424.292 2.637 20 0 HFADLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000792200987 1077743067 /nfs/dbraw/zinc/74/30/67/1077743067.db2.gz ZBBVMSGYJXXKLB-OAHLLOKOSA-N 1 2 403.267 2.941 20 0 HFADLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000792200987 1077743074 /nfs/dbraw/zinc/74/30/74/1077743074.db2.gz ZBBVMSGYJXXKLB-OAHLLOKOSA-N 1 2 403.267 2.941 20 0 HFADLO Nc1cc(COC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc[nH+]1 ZINC000792203891 1077744246 /nfs/dbraw/zinc/74/42/46/1077744246.db2.gz SRVANFAZZJOJHJ-UHFFFAOYSA-N 1 2 401.419 2.961 20 0 HFADLO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792232557 1077755702 /nfs/dbraw/zinc/75/57/02/1077755702.db2.gz YZAMSMLWSRSCRK-PKOBYXMFSA-N 1 2 400.519 2.646 20 0 HFADLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792232551 1077756010 /nfs/dbraw/zinc/75/60/10/1077756010.db2.gz YZAMSMLWSRSCRK-IEBWSBKVSA-N 1 2 400.519 2.646 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2cccc(C3SCCS3)c2)C[C@H](C)O1 ZINC000789797157 1077802492 /nfs/dbraw/zinc/80/24/92/1077802492.db2.gz QETIRGAAPJOOHI-GASCZTMLSA-N 1 2 423.604 2.671 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2cccc(C3SCCS3)c2)C[C@H](C)O1 ZINC000789797157 1077802502 /nfs/dbraw/zinc/80/25/02/1077802502.db2.gz QETIRGAAPJOOHI-GASCZTMLSA-N 1 2 423.604 2.671 20 0 HFADLO O=C(CC[N@@H+](Cc1c(F)cccc1F)C1CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000792323247 1077806963 /nfs/dbraw/zinc/80/69/63/1077806963.db2.gz PFLHSBJGNHFPDV-UHFFFAOYSA-N 1 2 420.460 2.605 20 0 HFADLO O=C(CC[N@H+](Cc1c(F)cccc1F)C1CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000792323247 1077806968 /nfs/dbraw/zinc/80/69/68/1077806968.db2.gz PFLHSBJGNHFPDV-UHFFFAOYSA-N 1 2 420.460 2.605 20 0 HFADLO NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1cncc(-c2cnc3ccccn32)n1 ZINC001170165561 1077821135 /nfs/dbraw/zinc/82/11/35/1077821135.db2.gz AAIYZLJEDPXDBK-UHFFFAOYSA-N 1 2 414.473 2.659 20 0 HFADLO Cc1c(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cccc1NC(=O)N(C)C ZINC000792330440 1077821412 /nfs/dbraw/zinc/82/14/12/1077821412.db2.gz LTGUBUTVABUQKO-UHFFFAOYSA-N 1 2 420.473 2.529 20 0 HFADLO COc1cc(NC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc(OC)c1OC ZINC000792389945 1077831353 /nfs/dbraw/zinc/83/13/53/1077831353.db2.gz NCGYLLWDTBBUMH-UHFFFAOYSA-N 1 2 419.453 2.728 20 0 HFADLO C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000790032163 1077904311 /nfs/dbraw/zinc/90/43/11/1077904311.db2.gz JYEVYXGLLHHWDS-KNQAVFIVSA-N 1 2 423.561 2.642 20 0 HFADLO COc1cccc(OCC[NH+]2CCN(C(=O)C[C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000772802263 1077909001 /nfs/dbraw/zinc/90/90/01/1077909001.db2.gz BJABEFKYQLQQMR-NRFANRHFSA-N 1 2 418.921 2.995 20 0 HFADLO CCn1nc(C)c(CN(C)C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)c1C ZINC001170229206 1077918198 /nfs/dbraw/zinc/91/81/98/1077918198.db2.gz UPXVPICEISROFW-FQEVSTJZSA-N 1 2 414.554 2.509 20 0 HFADLO CCn1nc(C)c(CN(C)C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)c1C ZINC001170229206 1077918200 /nfs/dbraw/zinc/91/82/00/1077918200.db2.gz UPXVPICEISROFW-FQEVSTJZSA-N 1 2 414.554 2.509 20 0 HFADLO COc1cc2c(c(OC)c1)S(=O)(=O)N(Cc1ccc(-n3cc[nH+]c3)cc1C)C2=O ZINC000790030802 1077919868 /nfs/dbraw/zinc/91/98/68/1077919868.db2.gz CICYXWIARMGZQC-UHFFFAOYSA-N 1 2 413.455 2.543 20 0 HFADLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)NCc2cccc(COCc3ccco3)c2)n1 ZINC001170272246 1077925579 /nfs/dbraw/zinc/92/55/79/1077925579.db2.gz GDOXVIWYECMMFU-UHFFFAOYSA-N 1 2 424.501 2.942 20 0 HFADLO COCCN(CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C(=O)OC(C)(C)C ZINC000790157491 1077961482 /nfs/dbraw/zinc/96/14/82/1077961482.db2.gz MXBFLFUQJIXYIH-UHFFFAOYSA-N 1 2 420.554 2.809 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)cc2C1 ZINC000790160022 1077962719 /nfs/dbraw/zinc/96/27/19/1077962719.db2.gz ZIKPWRPXTFLPLB-UHFFFAOYSA-N 1 2 412.799 2.850 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cc(C(F)(F)F)cnc3Cl)cc2C1 ZINC000790160022 1077962720 /nfs/dbraw/zinc/96/27/20/1077962720.db2.gz ZIKPWRPXTFLPLB-UHFFFAOYSA-N 1 2 412.799 2.850 20 0 HFADLO Cn1cc(C[C@H]2CC[N@H+](Cn3c(=O)oc4cc(F)c(Br)cc43)C2)cn1 ZINC000792705997 1077979205 /nfs/dbraw/zinc/97/92/05/1077979205.db2.gz NNDGOUGGXJGPOZ-LLVKDONJSA-N 1 2 409.259 2.752 20 0 HFADLO Cn1cc(C[C@H]2CC[N@@H+](Cn3c(=O)oc4cc(F)c(Br)cc43)C2)cn1 ZINC000792705997 1077979207 /nfs/dbraw/zinc/97/92/07/1077979207.db2.gz NNDGOUGGXJGPOZ-LLVKDONJSA-N 1 2 409.259 2.752 20 0 HFADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000790343474 1078007917 /nfs/dbraw/zinc/00/79/17/1078007917.db2.gz ZDXISHUUCHHURU-HUUCEWRRSA-N 1 2 400.516 2.835 20 0 HFADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000790343474 1078007922 /nfs/dbraw/zinc/00/79/22/1078007922.db2.gz ZDXISHUUCHHURU-HUUCEWRRSA-N 1 2 400.516 2.835 20 0 HFADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3C[C@H](C)OC4(CCOCC4)C3)cc2)C[C@@H](C)O1 ZINC000790368539 1078016088 /nfs/dbraw/zinc/01/60/88/1078016088.db2.gz JNFZFQVSTYHELZ-QRVBRYPASA-N 1 2 417.550 2.509 20 0 HFADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3C[C@H](C)OC4(CCOCC4)C3)cc2)C[C@@H](C)O1 ZINC000790368539 1078016092 /nfs/dbraw/zinc/01/60/92/1078016092.db2.gz JNFZFQVSTYHELZ-QRVBRYPASA-N 1 2 417.550 2.509 20 0 HFADLO CC[N@H+](CCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC(C)C ZINC000790376852 1078018525 /nfs/dbraw/zinc/01/85/25/1078018525.db2.gz WHABFFLHTXRFOQ-QHCPKHFHSA-N 1 2 406.615 2.941 20 0 HFADLO CC[N@@H+](CCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC(C)C ZINC000790376852 1078018530 /nfs/dbraw/zinc/01/85/30/1078018530.db2.gz WHABFFLHTXRFOQ-QHCPKHFHSA-N 1 2 406.615 2.941 20 0 HFADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792910511 1078021642 /nfs/dbraw/zinc/02/16/42/1078021642.db2.gz PJAZEIAHNMLUGJ-AEFFLSMTSA-N 1 2 417.333 2.844 20 0 HFADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792910511 1078021646 /nfs/dbraw/zinc/02/16/46/1078021646.db2.gz PJAZEIAHNMLUGJ-AEFFLSMTSA-N 1 2 417.333 2.844 20 0 HFADLO C[C@]12CC[N@H+](CC(=O)NCc3cccc(C(=O)NC4CC4)c3)C[C@H]1C2(Cl)Cl ZINC000792911590 1078023322 /nfs/dbraw/zinc/02/33/22/1078023322.db2.gz YBVIATFBBWJMMG-APWZRJJASA-N 1 2 410.345 2.711 20 0 HFADLO C[C@]12CC[N@@H+](CC(=O)NCc3cccc(C(=O)NC4CC4)c3)C[C@H]1C2(Cl)Cl ZINC000792911590 1078023328 /nfs/dbraw/zinc/02/33/28/1078023328.db2.gz YBVIATFBBWJMMG-APWZRJJASA-N 1 2 410.345 2.711 20 0 HFADLO CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)NCc2ccn3cc[nH+]c3c2)cn1 ZINC000790425322 1078023550 /nfs/dbraw/zinc/02/35/50/1078023550.db2.gz NZJXYISUOUBEFJ-NRFANRHFSA-N 1 2 418.501 2.996 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1CCCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C ZINC000792919773 1078025827 /nfs/dbraw/zinc/02/58/27/1078025827.db2.gz QZBNZGXBTWGUGA-HOTGVXAUSA-N 1 2 419.497 2.952 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1CCCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C ZINC000792919773 1078025831 /nfs/dbraw/zinc/02/58/31/1078025831.db2.gz QZBNZGXBTWGUGA-HOTGVXAUSA-N 1 2 419.497 2.952 20 0 HFADLO CCOC(=O)C1C(C[NH+]2CCC(c3c[nH]nc3C)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000792927059 1078027532 /nfs/dbraw/zinc/02/75/32/1078027532.db2.gz QYCBHUIUXVRZPE-OAQYLSRUSA-N 1 2 423.517 2.769 20 0 HFADLO O=S(=O)(NCc1c[nH+]c2n1CCCC2)c1cc(Br)cnc1Cl ZINC000790461742 1078027677 /nfs/dbraw/zinc/02/76/77/1078027677.db2.gz WFTWVUYLGVREOK-UHFFFAOYSA-N 1 2 405.705 2.509 20 0 HFADLO Cc1ccc(N(C(=O)C[N@@H+]2CCCCC[C@@H]2CCO)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000792928087 1078027742 /nfs/dbraw/zinc/02/77/42/1078027742.db2.gz RTSXUGRYGWQLIP-TZIWHRDSSA-N 1 2 420.575 2.574 20 0 HFADLO Cc1ccc(N(C(=O)C[N@H+]2CCCCC[C@@H]2CCO)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000792928087 1078027747 /nfs/dbraw/zinc/02/77/47/1078027747.db2.gz RTSXUGRYGWQLIP-TZIWHRDSSA-N 1 2 420.575 2.574 20 0 HFADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)Nc3cccc(Cl)n3)CC2)c1 ZINC000792977961 1078031192 /nfs/dbraw/zinc/03/11/92/1078031192.db2.gz ASUUDDWWYMQWRL-CQSZACIVSA-N 1 2 402.882 2.588 20 0 HFADLO CC(C)(C)OC(=O)N1CC=C(CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000793020227 1078039573 /nfs/dbraw/zinc/03/95/73/1078039573.db2.gz YQSYSUVAIKERPR-GOSISDBHSA-N 1 2 415.538 2.917 20 0 HFADLO C[C@H]1CCSCC[N@@H+]1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000790476890 1078040317 /nfs/dbraw/zinc/04/03/17/1078040317.db2.gz HRGOTLCIIPWFFJ-LBPRGKRZSA-N 1 2 401.579 2.999 20 0 HFADLO C[C@H]1CCSCC[N@H+]1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000790476890 1078040323 /nfs/dbraw/zinc/04/03/23/1078040323.db2.gz HRGOTLCIIPWFFJ-LBPRGKRZSA-N 1 2 401.579 2.999 20 0 HFADLO C[C@@H]1CCSCC[N@@H+]1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000790476888 1078040441 /nfs/dbraw/zinc/04/04/41/1078040441.db2.gz HRGOTLCIIPWFFJ-GFCCVEGCSA-N 1 2 401.579 2.999 20 0 HFADLO C[C@@H]1CCSCC[N@H+]1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000790476888 1078040446 /nfs/dbraw/zinc/04/04/46/1078040446.db2.gz HRGOTLCIIPWFFJ-GFCCVEGCSA-N 1 2 401.579 2.999 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F ZINC000806219932 1079504765 /nfs/dbraw/zinc/50/47/65/1079504765.db2.gz QMGDQOWNPFZDNQ-HIFRSBDPSA-N 1 2 424.427 2.613 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCCc3ccc(F)cc3)CC2)C1 ZINC000806286074 1079547999 /nfs/dbraw/zinc/54/79/99/1079547999.db2.gz ONWLMTSLLZJPGL-IBGZPJMESA-N 1 2 420.529 2.705 20 0 HFADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CCCc4cn(C(C)C)nc43)CC2)c1 ZINC000806300298 1079553540 /nfs/dbraw/zinc/55/35/40/1079553540.db2.gz GLFBSAKPZYVDLW-OAQYLSRUSA-N 1 2 423.561 2.610 20 0 HFADLO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000806303413 1079556881 /nfs/dbraw/zinc/55/68/81/1079556881.db2.gz NNZNZOVBVTXHHW-OALUTQOASA-N 1 2 424.586 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCc3ccc(Cl)o3)CC2)C1 ZINC000806317341 1079561165 /nfs/dbraw/zinc/56/11/65/1079561165.db2.gz GCSLTHGGOUYMFX-CQSZACIVSA-N 1 2 412.918 2.770 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCCc3cccs3)CC2)C1 ZINC000806311164 1079564148 /nfs/dbraw/zinc/56/41/48/1079564148.db2.gz OESFZKVOZHDROO-INIZCTEOSA-N 1 2 408.568 2.627 20 0 HFADLO CC(C)n1cc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000806319808 1079591336 /nfs/dbraw/zinc/59/13/36/1079591336.db2.gz NFGDWDLIVRAPIL-KRWDZBQOSA-N 1 2 406.531 2.623 20 0 HFADLO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C)n1 ZINC000806352000 1079623700 /nfs/dbraw/zinc/62/37/00/1079623700.db2.gz XDMAZEVGAMPWCB-INIZCTEOSA-N 1 2 419.526 2.558 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000806360692 1079648406 /nfs/dbraw/zinc/64/84/06/1079648406.db2.gz BDPHJKGWXCVZME-GOSISDBHSA-N 1 2 403.527 2.834 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000806360697 1079648507 /nfs/dbraw/zinc/64/85/07/1079648507.db2.gz BDPHJKGWXCVZME-SFHVURJKSA-N 1 2 403.527 2.834 20 0 HFADLO COc1cccc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1F ZINC000806430158 1079674627 /nfs/dbraw/zinc/67/46/27/1079674627.db2.gz HOEUYNURDVIGOF-HNNXBMFYSA-N 1 2 422.501 2.993 20 0 HFADLO COCc1ccc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000806463726 1079736168 /nfs/dbraw/zinc/73/61/68/1079736168.db2.gz SJHXHUSWZOBALW-IBGZPJMESA-N 1 2 418.538 2.992 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H]3Cc4ccccc43)C2)CC1 ZINC000806507719 1079758852 /nfs/dbraw/zinc/75/88/52/1079758852.db2.gz SWPASSOJGIQYTO-RTBURBONSA-N 1 2 414.550 2.663 20 0 HFADLO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000806538552 1079776695 /nfs/dbraw/zinc/77/66/95/1079776695.db2.gz LFEHIRNPKHIDMR-OAHLLOKOSA-N 1 2 420.441 2.796 20 0 HFADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000806522229 1079799740 /nfs/dbraw/zinc/79/97/40/1079799740.db2.gz BFEAXUKYSBIVFR-YRISNDGFSA-N 1 2 411.550 2.654 20 0 HFADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000806522229 1079799749 /nfs/dbraw/zinc/79/97/49/1079799749.db2.gz BFEAXUKYSBIVFR-YRISNDGFSA-N 1 2 411.550 2.654 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000806532938 1079805921 /nfs/dbraw/zinc/80/59/21/1079805921.db2.gz ZJZPGSKSHZEQOS-UYHISHBKSA-N 1 2 406.889 2.936 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000806532938 1079805936 /nfs/dbraw/zinc/80/59/36/1079805936.db2.gz ZJZPGSKSHZEQOS-UYHISHBKSA-N 1 2 406.889 2.936 20 0 HFADLO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000806536997 1079809511 /nfs/dbraw/zinc/80/95/11/1079809511.db2.gz FLYYGGJWFCPCMU-INIZCTEOSA-N 1 2 403.458 2.822 20 0 HFADLO COc1ccccc1[C@H](CNC(=O)CSc1n[nH]c(=S)s1)[NH+]1CCCC1 ZINC000747349061 1079975934 /nfs/dbraw/zinc/97/59/34/1079975934.db2.gz BPUQUSVJFAPHCN-ZDUSSCGKSA-N 1 2 410.590 2.881 20 0 HFADLO C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(F)c2ccccc21 ZINC000806777542 1079994876 /nfs/dbraw/zinc/99/48/76/1079994876.db2.gz IOMXMLTWEAUXRP-OAHLLOKOSA-N 1 2 421.538 2.848 20 0 HFADLO C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000806778154 1079995459 /nfs/dbraw/zinc/99/54/59/1079995459.db2.gz ZHUGRRZVSADMTN-YLJYHZDGSA-N 1 2 407.580 2.678 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCc3cc(F)ccc3F)CC2)C1 ZINC000806740856 1079996007 /nfs/dbraw/zinc/99/60/07/1079996007.db2.gz NWOFQMRUZUPOMU-QGZVFWFLSA-N 1 2 424.492 2.801 20 0 HFADLO C[C@H]([C@H](C)NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1)[NH+]1CCOCC1 ZINC000806741852 1079997053 /nfs/dbraw/zinc/99/70/53/1079997053.db2.gz SIEZUPIDGDEBMK-NSHGMRRFSA-N 1 2 424.586 2.719 20 0 HFADLO CCNC(=O)C[C@H]1CCCCN1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000806868776 1080069214 /nfs/dbraw/zinc/06/92/14/1080069214.db2.gz GSKHBCCCYTUDDQ-OAQYLSRUSA-N 1 2 415.582 2.812 20 0 HFADLO CC(C)Cn1ncc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1C1CC1 ZINC000806868027 1080069641 /nfs/dbraw/zinc/06/96/41/1080069641.db2.gz RBDCNUWBHJEPTG-UHFFFAOYSA-N 1 2 406.490 2.857 20 0 HFADLO CS[C@@H]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000806876421 1080076165 /nfs/dbraw/zinc/07/61/65/1080076165.db2.gz VTYHYXABOJRVQL-BRWVUGGUSA-N 1 2 412.600 2.607 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000806885750 1080082396 /nfs/dbraw/zinc/08/23/96/1080082396.db2.gz GMTDLOKBOYQZSA-KRWDZBQOSA-N 1 2 406.596 2.965 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000805272414 1080139601 /nfs/dbraw/zinc/13/96/01/1080139601.db2.gz NAXSZMUCHCGNOB-IAGOWNOFSA-N 1 2 424.586 2.669 20 0 HFADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000806988081 1080168102 /nfs/dbraw/zinc/16/81/02/1080168102.db2.gz UQKQEHKANSHRNZ-INIZCTEOSA-N 1 2 416.403 2.985 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000806992123 1080172172 /nfs/dbraw/zinc/17/21/72/1080172172.db2.gz BHOKFSFXFHQQDU-HZPDHXFCSA-N 1 2 416.513 2.901 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807045910 1080202820 /nfs/dbraw/zinc/20/28/20/1080202820.db2.gz JGOFBXVEBCLASE-QGTPRVQTSA-N 1 2 410.465 2.630 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807045910 1080202827 /nfs/dbraw/zinc/20/28/27/1080202827.db2.gz JGOFBXVEBCLASE-QGTPRVQTSA-N 1 2 410.465 2.630 20 0 HFADLO C[C@H](c1cccc(NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)c1)[NH+]1CCOCC1 ZINC000807007886 1080206178 /nfs/dbraw/zinc/20/61/78/1080206178.db2.gz PODGJAFDWBLLCY-MRXNPFEDSA-N 1 2 411.502 2.884 20 0 HFADLO COCC1(N(C)C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001130814891 1080216526 /nfs/dbraw/zinc/21/65/26/1080216526.db2.gz IAJSKVNFCRFVDK-UHFFFAOYSA-N 1 2 405.539 2.651 20 0 HFADLO COCC1(N(C)C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001130814891 1080216536 /nfs/dbraw/zinc/21/65/36/1080216536.db2.gz IAJSKVNFCRFVDK-UHFFFAOYSA-N 1 2 405.539 2.651 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807103591 1080282593 /nfs/dbraw/zinc/28/25/93/1080282593.db2.gz OITHLQVBFSENPL-ROUUACIJSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1nccs1 ZINC000807108888 1080286399 /nfs/dbraw/zinc/28/63/99/1080286399.db2.gz VPTLSCDOTCMGTH-HZPDHXFCSA-N 1 2 423.583 2.583 20 0 HFADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2cnc(C3OCCO3)s2)c2ccc(Cl)cc2)C1 ZINC000807180203 1080374622 /nfs/dbraw/zinc/37/46/22/1080374622.db2.gz ZKJWYZJWBHKHGZ-ZBFHGGJFSA-N 1 2 423.922 2.644 20 0 HFADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2cnc(C3OCCO3)s2)c2ccc(Cl)cc2)C1 ZINC000807180203 1080374634 /nfs/dbraw/zinc/37/46/34/1080374634.db2.gz ZKJWYZJWBHKHGZ-ZBFHGGJFSA-N 1 2 423.922 2.644 20 0 HFADLO Cc1cscc1CNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807183728 1080377317 /nfs/dbraw/zinc/37/73/17/1080377317.db2.gz IUFMXJXLVWVUSH-KRWDZBQOSA-N 1 2 408.568 2.893 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000807280200 1080436960 /nfs/dbraw/zinc/43/69/60/1080436960.db2.gz DNQQGOFRKLCAAS-SFHVURJKSA-N 1 2 413.861 2.940 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC000807282166 1080441046 /nfs/dbraw/zinc/44/10/46/1080441046.db2.gz FTPDMLASJADZLN-BLLLJJGKSA-N 1 2 418.906 2.923 20 0 HFADLO COc1cccnc1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000807362201 1080523093 /nfs/dbraw/zinc/52/30/93/1080523093.db2.gz JPYKALPQTCBCGP-UHFFFAOYSA-N 1 2 419.323 2.786 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC34OCCO4)cc2Br)CC1 ZINC000807362543 1080524885 /nfs/dbraw/zinc/52/48/85/1080524885.db2.gz OFHFDMXIBHSYRX-OAHLLOKOSA-N 1 2 424.339 2.683 20 0 HFADLO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000747400890 1080781126 /nfs/dbraw/zinc/78/11/26/1080781126.db2.gz OYUXWHJHHCBTSS-CQSZACIVSA-N 1 2 412.943 2.632 20 0 HFADLO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164434838 718973249 /nfs/dbraw/zinc/97/32/49/718973249.db2.gz WCIGXQHLTRJEID-QPPBQGQZSA-N 1 2 422.529 2.583 20 0 HFADLO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164434838 718973265 /nfs/dbraw/zinc/97/32/65/718973265.db2.gz WCIGXQHLTRJEID-QPPBQGQZSA-N 1 2 422.529 2.583 20 0 HFADLO CCOC(=O)[C@@]12CCO[C@@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164434841 718973554 /nfs/dbraw/zinc/97/35/54/718973554.db2.gz WCIGXQHLTRJEID-ZJSXRUAMSA-N 1 2 422.529 2.583 20 0 HFADLO CCOC(=O)[C@@]12CCO[C@@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164434841 718973555 /nfs/dbraw/zinc/97/35/55/718973555.db2.gz WCIGXQHLTRJEID-ZJSXRUAMSA-N 1 2 422.529 2.583 20 0 HFADLO NC(=O)c1ccnc(Cl)c1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164678571 719530902 /nfs/dbraw/zinc/53/09/02/719530902.db2.gz LUWPUGWLQPLTOY-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO NC(=O)c1ccnc(Cl)c1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164678571 719530915 /nfs/dbraw/zinc/53/09/15/719530915.db2.gz LUWPUGWLQPLTOY-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Oc2ccccc2)ncn1 ZINC001164705807 719844832 /nfs/dbraw/zinc/84/48/32/719844832.db2.gz VUITWIDPLFKWAM-VGOFRKELSA-N 1 2 412.490 2.502 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2cc(Cl)cnc2n1 ZINC001164704653 719851654 /nfs/dbraw/zinc/85/16/54/719851654.db2.gz SEBVRAPGKLGDJN-JXFKEZNVSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2cc(Cl)cnc2n1 ZINC001164704656 719851940 /nfs/dbraw/zinc/85/19/40/719851940.db2.gz SEBVRAPGKLGDJN-OXQOHEQNSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(Cl)cccc2n1 ZINC001164698701 719857330 /nfs/dbraw/zinc/85/73/30/719857330.db2.gz CVHZUCZGGIBGOC-JLTOFOAXSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2c(Cl)ccnc2cn1 ZINC001164700187 719860055 /nfs/dbraw/zinc/86/00/55/719860055.db2.gz HDRAKIIRNGZGBT-VBKZILBWSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2nccc(Cl)c2n1 ZINC001164701187 719864969 /nfs/dbraw/zinc/86/49/69/719864969.db2.gz FSMPLQYPTVPNMW-JLTOFOAXSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccc(F)cc2)ncn1 ZINC001164702895 719870794 /nfs/dbraw/zinc/87/07/94/719870794.db2.gz JGMAQVAVEOPSNX-XMSQKQJNSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccsc2)n1 ZINC001164708004 719872297 /nfs/dbraw/zinc/87/22/97/719872297.db2.gz XFCQSOUAAAZWSP-DYESRHJHSA-N 1 2 416.547 2.746 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2cccs2)n1 ZINC001164707430 719872392 /nfs/dbraw/zinc/87/23/92/719872392.db2.gz SLGPGNFLOAPOPF-KKSFZXQISA-N 1 2 416.547 2.746 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(-c2ccc(F)cc2)n1 ZINC001164707245 719877560 /nfs/dbraw/zinc/87/75/60/719877560.db2.gz RUGMOWUKUNSGHK-AVRDEDQJSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(F)c(-c2ccsc2)n1 ZINC001164699780 719878253 /nfs/dbraw/zinc/87/82/53/719878253.db2.gz IJXSLDFJIRFFIA-YWZLYKJASA-N 1 2 420.510 2.577 20 0 HFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)cc(Cl)nc3Cl)C2)C1 ZINC001164718879 720229377 /nfs/dbraw/zinc/22/93/77/720229377.db2.gz OCNQJSYSWDUJOY-QGZVFWFLSA-N 1 2 421.756 2.707 20 0 HFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)cc(Cl)nc3Cl)C2)C1 ZINC001164718879 720229384 /nfs/dbraw/zinc/22/93/84/720229384.db2.gz OCNQJSYSWDUJOY-QGZVFWFLSA-N 1 2 421.756 2.707 20 0 HFADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)cc1N ZINC001164726459 720314361 /nfs/dbraw/zinc/31/43/61/720314361.db2.gz ZLEVNTSNZQKIRX-HNNXBMFYSA-N 1 2 412.872 2.879 20 0 HFADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc[n+]([O-])c(Cl)c1 ZINC001164725022 720317170 /nfs/dbraw/zinc/31/71/70/720317170.db2.gz UXGQTGFKLHBWCH-HNNXBMFYSA-N 1 2 413.856 2.536 20 0 HFADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc[n+]([O-])c(Cl)c1 ZINC001164725023 720317384 /nfs/dbraw/zinc/31/73/84/720317384.db2.gz UXGQTGFKLHBWCH-OAHLLOKOSA-N 1 2 413.856 2.536 20 0 HFADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1cnc(Cl)cn1 ZINC001164721106 720317599 /nfs/dbraw/zinc/31/75/99/720317599.db2.gz FCPFAKIJLBREMO-CYBMUJFWSA-N 1 2 414.844 2.572 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5ccoc54)CC3)C2=O)cs1 ZINC001164826619 720361340 /nfs/dbraw/zinc/36/13/40/720361340.db2.gz XRHFJAKNIWYTHO-UHFFFAOYSA-N 1 2 411.531 2.906 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5ccoc54)CC3)C2=O)cs1 ZINC001164826619 720361346 /nfs/dbraw/zinc/36/13/46/720361346.db2.gz XRHFJAKNIWYTHO-UHFFFAOYSA-N 1 2 411.531 2.906 20 0 HFADLO FC(F)(COc1ccc(Cl)nn1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164759280 720979955 /nfs/dbraw/zinc/97/99/55/720979955.db2.gz ZOFRLYPHJBEYCX-CQSZACIVSA-N 1 2 413.856 2.857 20 0 HFADLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164769562 721068125 /nfs/dbraw/zinc/06/81/25/721068125.db2.gz OVMINKWNQDWZPB-JTDSTZFVSA-N 1 2 402.926 2.970 20 0 HFADLO Cn1cccc1C(=O)N[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164769562 721068130 /nfs/dbraw/zinc/06/81/30/721068130.db2.gz OVMINKWNQDWZPB-JTDSTZFVSA-N 1 2 402.926 2.970 20 0 HFADLO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164780905 721427506 /nfs/dbraw/zinc/42/75/06/721427506.db2.gz BBTMILGUQBOCGJ-NXEZZACHSA-N 1 2 411.869 2.528 20 0 HFADLO CCOC(=O)c1cnc(Cl)cc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008401 721693825 /nfs/dbraw/zinc/69/38/25/721693825.db2.gz IXEXVOXYUJSKRH-UHFFFAOYSA-N 1 2 406.918 2.754 20 0 HFADLO CCOC(=O)c1cnc(Cl)cc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008401 721693828 /nfs/dbraw/zinc/69/38/28/721693828.db2.gz IXEXVOXYUJSKRH-UHFFFAOYSA-N 1 2 406.918 2.754 20 0 HFADLO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165009854 721710223 /nfs/dbraw/zinc/71/02/23/721710223.db2.gz WIXURFMHDRVTGG-VOTSOKGWSA-N 1 2 423.521 2.591 20 0 HFADLO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165009854 721710229 /nfs/dbraw/zinc/71/02/29/721710229.db2.gz WIXURFMHDRVTGG-VOTSOKGWSA-N 1 2 423.521 2.591 20 0 HFADLO Fc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164910183 721779755 /nfs/dbraw/zinc/77/97/55/721779755.db2.gz AMZGSDDGOHVMSO-HSZRJFAPSA-N 1 2 408.477 2.877 20 0 HFADLO Fc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164910183 721779758 /nfs/dbraw/zinc/77/97/58/721779758.db2.gz AMZGSDDGOHVMSO-HSZRJFAPSA-N 1 2 408.477 2.877 20 0 HFADLO Clc1cc(C2CC2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914880 721783990 /nfs/dbraw/zinc/78/39/90/721783990.db2.gz GXJAFPQCBXLZSB-NRFANRHFSA-N 1 2 415.925 2.510 20 0 HFADLO Clc1cc(C2CC2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914880 721783992 /nfs/dbraw/zinc/78/39/92/721783992.db2.gz GXJAFPQCBXLZSB-NRFANRHFSA-N 1 2 415.925 2.510 20 0 HFADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)COc2ccc(Cl)nn2)CC1 ZINC001164918325 721818817 /nfs/dbraw/zinc/81/88/17/721818817.db2.gz NXLACSFVWFTWPM-UHFFFAOYSA-N 1 2 412.872 2.543 20 0 HFADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)COc2ccc(Cl)nn2)CC1 ZINC001164918325 721818818 /nfs/dbraw/zinc/81/88/18/721818818.db2.gz NXLACSFVWFTWPM-UHFFFAOYSA-N 1 2 412.872 2.543 20 0 HFADLO CCOC(=O)c1ccc(C)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164946269 721968717 /nfs/dbraw/zinc/96/87/17/721968717.db2.gz MVULROHQMRABOC-UHFFFAOYSA-N 1 2 422.529 2.538 20 0 HFADLO CCOC(=O)c1ccc(C)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164946269 721968718 /nfs/dbraw/zinc/96/87/18/721968718.db2.gz MVULROHQMRABOC-UHFFFAOYSA-N 1 2 422.529 2.538 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc3cc(F)ccc3n1)CC2 ZINC001164948434 721977060 /nfs/dbraw/zinc/97/70/60/721977060.db2.gz ZCGBCNRZCXJUTA-UHFFFAOYSA-N 1 2 405.477 2.740 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc3cc(F)ccc3n1)CC2 ZINC001164948434 721977063 /nfs/dbraw/zinc/97/70/63/721977063.db2.gz ZCGBCNRZCXJUTA-UHFFFAOYSA-N 1 2 405.477 2.740 20 0 HFADLO CSc1cnc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164946948 721977643 /nfs/dbraw/zinc/97/76/43/721977643.db2.gz MJRDMQUOHJVXIN-UHFFFAOYSA-N 1 2 417.966 2.823 20 0 HFADLO CSc1cnc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164946948 721977644 /nfs/dbraw/zinc/97/76/44/721977644.db2.gz MJRDMQUOHJVXIN-UHFFFAOYSA-N 1 2 417.966 2.823 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccncc3)nn1)CC2 ZINC001164948338 721979530 /nfs/dbraw/zinc/97/95/30/721979530.db2.gz KZAXYEQMTRYYJZ-UHFFFAOYSA-N 1 2 414.513 2.510 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccncc3)nn1)CC2 ZINC001164948338 721979532 /nfs/dbraw/zinc/97/95/32/721979532.db2.gz KZAXYEQMTRYYJZ-UHFFFAOYSA-N 1 2 414.513 2.510 20 0 HFADLO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(NC5CC5)c(C)c[nH+]4)CC[C@@H]32)cs1 ZINC001164986719 722173732 /nfs/dbraw/zinc/17/37/32/722173732.db2.gz LEDOZJBYTKYHQT-RBUKOAKNSA-N 1 2 414.579 2.994 20 0 HFADLO CCN(CC)c1cc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)nc[nH+]1 ZINC001164987216 722184148 /nfs/dbraw/zinc/18/41/48/722184148.db2.gz HKJOPDCMJRTTEC-MOPGFXCFSA-N 1 2 416.595 2.958 20 0 HFADLO CCN(CC)c1cc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)[nH+]cn1 ZINC001164987216 722184149 /nfs/dbraw/zinc/18/41/49/722184149.db2.gz HKJOPDCMJRTTEC-MOPGFXCFSA-N 1 2 416.595 2.958 20 0 HFADLO O=C1C[C@]2(CCc3ccccc32)C(=O)N1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000790465245 1078044415 /nfs/dbraw/zinc/04/44/15/1078044415.db2.gz GBWIZIDBNOQXEP-QHCPKHFHSA-N 1 2 409.461 2.665 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000793045345 1078055112 /nfs/dbraw/zinc/05/51/12/1078055112.db2.gz MEWCAFOSCCEKIQ-LLVKDONJSA-N 1 2 422.457 2.872 20 0 HFADLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c3nnnn3C3CC3)ccc2c1 ZINC000790555956 1078055140 /nfs/dbraw/zinc/05/51/40/1078055140.db2.gz URBGTPRWHWWTMN-LSDHHAIUSA-N 1 2 408.506 2.868 20 0 HFADLO C[C@]1(NC(=O)NCc2ccn3cc[nH+]c3c2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793103304 1078078323 /nfs/dbraw/zinc/07/83/23/1078078323.db2.gz NCJCIFWPZPXQTO-QFIPXVFZSA-N 1 2 407.474 2.935 20 0 HFADLO CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1 ZINC000772828877 1078093545 /nfs/dbraw/zinc/09/35/45/1078093545.db2.gz VTLJKDUBZVTTAJ-MRXNPFEDSA-N 1 2 422.938 2.879 20 0 HFADLO COc1ccc(CC(=O)NCc2ccc(C(=O)OCCc3c[nH+]cn3C)cc2)cc1 ZINC000793249850 1078109962 /nfs/dbraw/zinc/10/99/62/1078109962.db2.gz IHVLDQIJKGZFJE-UHFFFAOYSA-N 1 2 407.470 2.687 20 0 HFADLO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnnn1C1CC1 ZINC000790754069 1078111352 /nfs/dbraw/zinc/11/13/52/1078111352.db2.gz GCRQKJPSNQHTIH-LSDHHAIUSA-N 1 2 404.540 2.594 20 0 HFADLO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000793335464 1078142626 /nfs/dbraw/zinc/14/26/26/1078142626.db2.gz UBNHLPZDQBYNPP-MOPGFXCFSA-N 1 2 423.351 2.992 20 0 HFADLO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000793335464 1078142630 /nfs/dbraw/zinc/14/26/30/1078142630.db2.gz UBNHLPZDQBYNPP-MOPGFXCFSA-N 1 2 423.351 2.992 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N(C)CCc2ccccc2F)[C@@H]1c1c[nH+]cn1C ZINC000793472347 1078184747 /nfs/dbraw/zinc/18/47/47/1078184747.db2.gz SIHHLZSFCCITLK-DYESRHJHSA-N 1 2 400.498 2.950 20 0 HFADLO COC(=O)c1cn(C2CC[NH+](Cc3cnn(Cc4ccccc4)c3Cl)CC2)nn1 ZINC000793587070 1078215676 /nfs/dbraw/zinc/21/56/76/1078215676.db2.gz MRWOMYPTGQAEIX-UHFFFAOYSA-N 1 2 414.897 2.800 20 0 HFADLO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000793655457 1078259021 /nfs/dbraw/zinc/25/90/21/1078259021.db2.gz JBEVRVGVWSNVOZ-GKCIPKSASA-N 1 2 415.921 2.571 20 0 HFADLO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000793655457 1078259022 /nfs/dbraw/zinc/25/90/22/1078259022.db2.gz JBEVRVGVWSNVOZ-GKCIPKSASA-N 1 2 415.921 2.571 20 0 HFADLO C[C@H](NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)c1nc2ccccc2s1 ZINC000793720850 1078265599 /nfs/dbraw/zinc/26/55/99/1078265599.db2.gz UWCTWGLTBZDYGL-AWEZNQCLSA-N 1 2 405.483 2.976 20 0 HFADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793729226 1078268724 /nfs/dbraw/zinc/26/87/24/1078268724.db2.gz GKAAQHMHTRLGOU-CYBMUJFWSA-N 1 2 405.524 2.574 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)NC4(CCCCCC4)C3=O)CC[C@H]21 ZINC000793725531 1078267304 /nfs/dbraw/zinc/26/73/04/1078267304.db2.gz WNPLZAKCOMPYHS-IAGOWNOFSA-N 1 2 420.554 2.920 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)NC4(CCCCCC4)C3=O)CC[C@H]21 ZINC000793725531 1078267305 /nfs/dbraw/zinc/26/73/05/1078267305.db2.gz WNPLZAKCOMPYHS-IAGOWNOFSA-N 1 2 420.554 2.920 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Oc2ccc3c(c2)CCCC(=O)N3)[C@@H]1c1c[nH+]cn1C ZINC000793752009 1078291648 /nfs/dbraw/zinc/29/16/48/1078291648.db2.gz YLZFDZZGLOLROR-VGOFRKELSA-N 1 2 424.501 2.990 20 0 HFADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)C2=O)cn1 ZINC000793787858 1078296448 /nfs/dbraw/zinc/29/64/48/1078296448.db2.gz FTJNYFPDQTVNDK-CRAIPNDOSA-N 1 2 418.950 2.815 20 0 HFADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)C2=O)cn1 ZINC000793787858 1078296453 /nfs/dbraw/zinc/29/64/53/1078296453.db2.gz FTJNYFPDQTVNDK-CRAIPNDOSA-N 1 2 418.950 2.815 20 0 HFADLO C[C@H]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000793938205 1078352110 /nfs/dbraw/zinc/35/21/10/1078352110.db2.gz RGVALHKKBDOFDC-ZWKOTPCHSA-N 1 2 400.567 2.780 20 0 HFADLO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CC[NH+](C/C=C\c4ccccc4)CC3)[C@H]2C1 ZINC000794186815 1078382593 /nfs/dbraw/zinc/38/25/93/1078382593.db2.gz ZKYYSTRMNBCUTG-ZCFHDHFKSA-N 1 2 411.546 2.957 20 0 HFADLO CO[C@H](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000794343799 1078420926 /nfs/dbraw/zinc/42/09/26/1078420926.db2.gz DEUACRIFLPNDQO-CJNGLKHVSA-N 1 2 416.303 2.797 20 0 HFADLO CO[C@H](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000794343799 1078420929 /nfs/dbraw/zinc/42/09/29/1078420929.db2.gz DEUACRIFLPNDQO-CJNGLKHVSA-N 1 2 416.303 2.797 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C ZINC000804438922 1078484234 /nfs/dbraw/zinc/48/42/34/1078484234.db2.gz BNBOJQPRCAEAID-FGTMMUONSA-N 1 2 409.571 2.734 20 0 HFADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804437455 1078483095 /nfs/dbraw/zinc/48/30/95/1078483095.db2.gz YZLPTWGKXXDPPG-KDOFPFPSSA-N 1 2 420.916 2.968 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804438458 1078503936 /nfs/dbraw/zinc/50/39/36/1078503936.db2.gz OZVXODBICCSDSM-RLLQIKCJSA-N 1 2 417.550 2.964 20 0 HFADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC001129807862 1078505122 /nfs/dbraw/zinc/50/51/22/1078505122.db2.gz FLZPIJUPBOWBKC-UHFFFAOYSA-N 1 2 420.355 2.538 20 0 HFADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000804719706 1078558510 /nfs/dbraw/zinc/55/85/10/1078558510.db2.gz HKTWVRYMZHRPEC-MRXNPFEDSA-N 1 2 422.982 2.600 20 0 HFADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000804719706 1078558517 /nfs/dbraw/zinc/55/85/17/1078558517.db2.gz HKTWVRYMZHRPEC-MRXNPFEDSA-N 1 2 422.982 2.600 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC(=O)[C@@H]2C[C@H]2F)CC1 ZINC001129624051 1078598496 /nfs/dbraw/zinc/59/84/96/1078598496.db2.gz ZYVRXDWUQIKRGA-HZPDHXFCSA-N 1 2 407.486 2.915 20 0 HFADLO C[C@@H](CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 ZINC000804762169 1078614422 /nfs/dbraw/zinc/61/44/22/1078614422.db2.gz QYNJGBRWPGLQFZ-HKUYNNGSSA-N 1 2 402.539 2.729 20 0 HFADLO Cn1c[nH+]c(CCNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001129649168 1078639089 /nfs/dbraw/zinc/63/90/89/1078639089.db2.gz WWPDRFBMEUIDKT-FUHWJXTLSA-N 1 2 408.424 2.707 20 0 HFADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001129649167 1078639211 /nfs/dbraw/zinc/63/92/11/1078639211.db2.gz WWPDRFBMEUIDKT-AEFFLSMTSA-N 1 2 408.424 2.707 20 0 HFADLO CCCOc1cccc2c(N3CCC(C(=O)OCC)(S(C)(=O)=O)CC3)cc[nH+]c12 ZINC000804825043 1078664099 /nfs/dbraw/zinc/66/40/99/1078664099.db2.gz GGCLUINTDYEVMC-UHFFFAOYSA-N 1 2 420.531 2.970 20 0 HFADLO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000804826574 1078665177 /nfs/dbraw/zinc/66/51/77/1078665177.db2.gz AREFDWWTENYYDL-UHFFFAOYSA-N 1 2 423.561 2.698 20 0 HFADLO CC(C)COc1cncc(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804834242 1078675310 /nfs/dbraw/zinc/67/53/10/1078675310.db2.gz CTQAPHZBROGKFO-KRWDZBQOSA-N 1 2 405.543 2.643 20 0 HFADLO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000804869643 1078693032 /nfs/dbraw/zinc/69/30/32/1078693032.db2.gz YIMXUUOAWYVRDH-UHFFFAOYSA-N 1 2 419.425 2.562 20 0 HFADLO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccnc1S(=O)(=O)C(F)(F)F ZINC000804869643 1078693035 /nfs/dbraw/zinc/69/30/35/1078693035.db2.gz YIMXUUOAWYVRDH-UHFFFAOYSA-N 1 2 419.425 2.562 20 0 HFADLO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000804922901 1078743437 /nfs/dbraw/zinc/74/34/37/1078743437.db2.gz JLGLHYMRWVTGMP-SFHVURJKSA-N 1 2 414.428 2.709 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(Br)cc1F ZINC000805091982 1078917652 /nfs/dbraw/zinc/91/76/52/1078917652.db2.gz UAPJTJBEKBQXGR-CZUORRHYSA-N 1 2 414.319 2.635 20 0 HFADLO Cc1cccc(F)c1CNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805158069 1078950680 /nfs/dbraw/zinc/95/06/80/1078950680.db2.gz ZIMUDDLZHZPRKB-KRWDZBQOSA-N 1 2 420.529 2.971 20 0 HFADLO O=C(COCc1ccccn1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000805160928 1078951745 /nfs/dbraw/zinc/95/17/45/1078951745.db2.gz JMAIIJPQDRZYCH-UHFFFAOYSA-N 1 2 409.408 2.841 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCCCC(F)(F)F)C2)CC1 ZINC000805164291 1078955350 /nfs/dbraw/zinc/95/53/50/1078955350.db2.gz OBMYJMJIHYMSHY-AWEZNQCLSA-N 1 2 408.465 2.666 20 0 HFADLO CCC(CC)(CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000805166536 1078956110 /nfs/dbraw/zinc/95/61/10/1078956110.db2.gz NRHLLWJXIRXAAO-SJORKVTESA-N 1 2 412.575 2.575 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000805213957 1078989417 /nfs/dbraw/zinc/98/94/17/1078989417.db2.gz XWUFQRVFQPXMSN-LSDHHAIUSA-N 1 2 402.486 2.511 20 0 HFADLO C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC000805277727 1079005950 /nfs/dbraw/zinc/00/59/50/1079005950.db2.gz HJZSEILKGUOXKD-QYZOEREBSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@H]1C(=O)OC(C)(C)C ZINC001130142418 1079013780 /nfs/dbraw/zinc/01/37/80/1079013780.db2.gz DMUIQXNYSFYVPF-QFBILLFUSA-N 1 2 404.555 2.601 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000805473291 1079089476 /nfs/dbraw/zinc/08/94/76/1079089476.db2.gz FMCFVYLRUVEUTC-UWJYYQICSA-N 1 2 412.486 2.857 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000805473291 1079089482 /nfs/dbraw/zinc/08/94/82/1079089482.db2.gz FMCFVYLRUVEUTC-UWJYYQICSA-N 1 2 412.486 2.857 20 0 HFADLO CO[C@H](C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1)[C@@H]1CCOC1 ZINC001130213361 1079089986 /nfs/dbraw/zinc/08/99/86/1079089986.db2.gz FEOYJXKCGCDCTH-PBHICJAKSA-N 1 2 423.311 2.515 20 0 HFADLO COC(=O)[C@@H]1CN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c2ccc(F)cc2O1 ZINC001130372049 1079247095 /nfs/dbraw/zinc/24/70/95/1079247095.db2.gz GKYOSHBAFBHRPI-SFHVURJKSA-N 1 2 419.359 2.729 20 0 HFADLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000805788172 1079255626 /nfs/dbraw/zinc/25/56/26/1079255626.db2.gz JBYZRVRFANBEKC-LXIYXOSZSA-N 1 2 413.440 2.995 20 0 HFADLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000805788172 1079255630 /nfs/dbraw/zinc/25/56/30/1079255630.db2.gz JBYZRVRFANBEKC-LXIYXOSZSA-N 1 2 413.440 2.995 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000805761139 1079263125 /nfs/dbraw/zinc/26/31/25/1079263125.db2.gz PVQJLVLNMHMORT-TZIWHRDSSA-N 1 2 416.566 2.572 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000805761139 1079263132 /nfs/dbraw/zinc/26/31/32/1079263132.db2.gz PVQJLVLNMHMORT-TZIWHRDSSA-N 1 2 416.566 2.572 20 0 HFADLO CCc1ccc(C[NH+]2CCN(C(=O)NCC3CCN(C(=O)OC)CC3)CC2)s1 ZINC000805832751 1079271855 /nfs/dbraw/zinc/27/18/55/1079271855.db2.gz KWACSLRABNBQNL-UHFFFAOYSA-N 1 2 408.568 2.616 20 0 HFADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000805827732 1079297194 /nfs/dbraw/zinc/29/71/94/1079297194.db2.gz OJHXPBFBHIOSFG-AWEZNQCLSA-N 1 2 405.392 2.671 20 0 HFADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000805827732 1079297200 /nfs/dbraw/zinc/29/72/00/1079297200.db2.gz OJHXPBFBHIOSFG-AWEZNQCLSA-N 1 2 405.392 2.671 20 0 HFADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1OC1CCCC1 ZINC000805828177 1079298412 /nfs/dbraw/zinc/29/84/12/1079298412.db2.gz WCIRWNMAOSUAHV-SFHVURJKSA-N 1 2 403.523 2.835 20 0 HFADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccccc1OC1CCCC1 ZINC000805828177 1079298417 /nfs/dbraw/zinc/29/84/17/1079298417.db2.gz WCIRWNMAOSUAHV-SFHVURJKSA-N 1 2 403.523 2.835 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1CC[C@H]1CCOC1=O ZINC000805829591 1079298893 /nfs/dbraw/zinc/29/88/93/1079298893.db2.gz JRQAEAJGCLWKOO-QRTARXTBSA-N 1 2 414.424 2.832 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1CC[C@H]1CCOC1=O ZINC000805829591 1079298899 /nfs/dbraw/zinc/29/88/99/1079298899.db2.gz JRQAEAJGCLWKOO-QRTARXTBSA-N 1 2 414.424 2.832 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000805831765 1079300290 /nfs/dbraw/zinc/30/02/90/1079300290.db2.gz MKBXHGDISYRMHC-VMPITWQZSA-N 1 2 400.523 2.505 20 0 HFADLO Cc1cccc(N2N=C(C(=O)NCc3ccccc3C[NH+]3CCOCC3)CCC2=O)c1 ZINC000021557897 1079362698 /nfs/dbraw/zinc/36/26/98/1079362698.db2.gz RGZDGORVYSTDJI-UHFFFAOYSA-N 1 2 420.513 2.626 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)OCc2conc2C(F)(F)F)[C@@H]1c1c[nH+]cn1C ZINC000805991690 1079370374 /nfs/dbraw/zinc/37/03/74/1079370374.db2.gz AILLIYJLXHPKFI-IUODEOHRSA-N 1 2 414.384 2.860 20 0 HFADLO CNC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)CC1 ZINC000746671021 1076742754 /nfs/dbraw/zinc/74/27/54/1076742754.db2.gz YXTCFEFLBLGDRM-UHFFFAOYSA-N 1 2 408.502 2.726 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3n[nH]c4c3CCC4)cc2Br)CC1 ZINC000787381967 1076781145 /nfs/dbraw/zinc/78/11/45/1076781145.db2.gz LYZQSHAGFXMPIM-UHFFFAOYSA-N 1 2 404.312 2.665 20 0 HFADLO CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787356085 1076794810 /nfs/dbraw/zinc/79/48/10/1076794810.db2.gz SSCKFYGGBAZJIE-MRXNPFEDSA-N 1 2 409.502 2.652 20 0 HFADLO CN(CCOc1ccccc1F)C(=O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787356085 1076794812 /nfs/dbraw/zinc/79/48/12/1076794812.db2.gz SSCKFYGGBAZJIE-MRXNPFEDSA-N 1 2 409.502 2.652 20 0 HFADLO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C[C@H]1C ZINC000787483242 1076840226 /nfs/dbraw/zinc/84/02/26/1076840226.db2.gz PCGCKDANSCBFOA-PMPSAXMXSA-N 1 2 405.543 2.689 20 0 HFADLO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C[C@H]1C ZINC000787483242 1076840232 /nfs/dbraw/zinc/84/02/32/1076840232.db2.gz PCGCKDANSCBFOA-PMPSAXMXSA-N 1 2 405.543 2.689 20 0 HFADLO Nc1cc(COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc[nH+]1 ZINC000787600267 1076887665 /nfs/dbraw/zinc/88/76/65/1076887665.db2.gz VWVMTCLVARJFTO-UHFFFAOYSA-N 1 2 409.895 2.849 20 0 HFADLO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cc(=O)[nH]1 ZINC000787674040 1076889871 /nfs/dbraw/zinc/88/98/71/1076889871.db2.gz IMFMAVWXVQIXIW-UHFFFAOYSA-N 1 2 405.296 2.862 20 0 HFADLO Cc1ccc(NC(=O)C(=O)NCc2nc(-c3ccccc3F)cs2)c(N(C)C)[nH+]1 ZINC000787648938 1076896973 /nfs/dbraw/zinc/89/69/73/1076896973.db2.gz IJPDWLZAGZORKV-UHFFFAOYSA-N 1 2 413.478 2.974 20 0 HFADLO C[C@H]1c2ccc(Cl)n2CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000787653510 1076899286 /nfs/dbraw/zinc/89/92/86/1076899286.db2.gz PJKBYKSDDJIIFF-INIZCTEOSA-N 1 2 402.926 2.989 20 0 HFADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787704157 1076918781 /nfs/dbraw/zinc/91/87/81/1076918781.db2.gz FACJAVYFOISYNO-UZLBHIALSA-N 1 2 411.930 2.971 20 0 HFADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787704157 1076918784 /nfs/dbraw/zinc/91/87/84/1076918784.db2.gz FACJAVYFOISYNO-UZLBHIALSA-N 1 2 411.930 2.971 20 0 HFADLO CCc1ccc(C(=O)N2CC[NH+](CCOCCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000787709595 1076921659 /nfs/dbraw/zinc/92/16/59/1076921659.db2.gz XXJSLFFBQPATQY-UHFFFAOYSA-N 1 2 405.539 2.548 20 0 HFADLO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc(OC(F)F)c1 ZINC000787865502 1076986335 /nfs/dbraw/zinc/98/63/35/1076986335.db2.gz RRBBFVUPFPYKOJ-UKRRQHHQSA-N 1 2 406.433 2.605 20 0 HFADLO C[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc(OC(F)F)c1 ZINC000787865503 1076986366 /nfs/dbraw/zinc/98/63/66/1076986366.db2.gz RRBBFVUPFPYKOJ-ZFWWWQNUSA-N 1 2 406.433 2.605 20 0 HFADLO CCN(CC)C(=O)C1CC[NH+](CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000746715707 1077003418 /nfs/dbraw/zinc/00/34/18/1077003418.db2.gz HGYDKDFDLDJUDW-OPAMFIHVSA-N 1 2 406.571 2.661 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000787994255 1077021831 /nfs/dbraw/zinc/02/18/31/1077021831.db2.gz DZYLIEAEAFHWET-JOCHJYFZSA-N 1 2 417.506 2.507 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000787994255 1077021836 /nfs/dbraw/zinc/02/18/36/1077021836.db2.gz DZYLIEAEAFHWET-JOCHJYFZSA-N 1 2 417.506 2.507 20 0 HFADLO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788002775 1077024718 /nfs/dbraw/zinc/02/47/18/1077024718.db2.gz ALADQYUTMHYLST-INIZCTEOSA-N 1 2 421.538 2.764 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3c(O)cccc3O)cc2Br)CC1 ZINC000788015099 1077029402 /nfs/dbraw/zinc/02/94/02/1077029402.db2.gz BPHIIZLQPCWGIF-UHFFFAOYSA-N 1 2 406.280 2.864 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cc1c(Cl)ncnc1N(C)C ZINC000788018715 1077029945 /nfs/dbraw/zinc/02/99/45/1077029945.db2.gz GZXJRTIJIGZZBY-KRWDZBQOSA-N 1 2 403.958 2.919 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc(Br)cc(C)c2o1 ZINC000788157349 1077071081 /nfs/dbraw/zinc/07/10/81/1077071081.db2.gz WBLDRNLXTOUTMK-CYBMUJFWSA-N 1 2 406.236 2.672 20 0 HFADLO C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000788380244 1077136102 /nfs/dbraw/zinc/13/61/02/1077136102.db2.gz ASDPYJGDZCSYDN-ACJLOTCBSA-N 1 2 406.895 2.674 20 0 HFADLO O=C(C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000788470680 1077170223 /nfs/dbraw/zinc/17/02/23/1077170223.db2.gz IPGCMDYKPUHNJV-LAUBAEHRSA-N 1 2 423.473 2.719 20 0 HFADLO Clc1nc(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc2ccccc21 ZINC000788480044 1077173882 /nfs/dbraw/zinc/17/38/82/1077173882.db2.gz GUIDLVZCXLWRKC-UHFFFAOYSA-N 1 2 424.936 2.837 20 0 HFADLO COc1cccc(Cc2cnc(NC(=O)N(C)[C@@H](C)C[NH+]3CCOCC3)s2)c1 ZINC000788543137 1077195068 /nfs/dbraw/zinc/19/50/68/1077195068.db2.gz XNBTWOPCIBXWHO-HNNXBMFYSA-N 1 2 404.536 2.927 20 0 HFADLO COc1ccc(C(=O)[N-]C(=O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC001170086866 1077218239 /nfs/dbraw/zinc/21/82/39/1077218239.db2.gz YQWZJSOJWLKQAE-QGZVFWFLSA-N 1 2 415.559 2.775 20 0 HFADLO COc1ccc(C(=O)[N-]C(=O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC001170086866 1077218244 /nfs/dbraw/zinc/21/82/44/1077218244.db2.gz YQWZJSOJWLKQAE-QGZVFWFLSA-N 1 2 415.559 2.775 20 0 HFADLO COc1ccc(C(=O)[N-]C(=O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC001170086866 1077218245 /nfs/dbraw/zinc/21/82/45/1077218245.db2.gz YQWZJSOJWLKQAE-QGZVFWFLSA-N 1 2 415.559 2.775 20 0 HFADLO COc1ccc(C(=O)[N-]C(=O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC001170086866 1077218249 /nfs/dbraw/zinc/21/82/49/1077218249.db2.gz YQWZJSOJWLKQAE-QGZVFWFLSA-N 1 2 415.559 2.775 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C)c1Cl ZINC000788648784 1077224675 /nfs/dbraw/zinc/22/46/75/1077224675.db2.gz CDNWCITZYTZMGR-JTQLQIEISA-N 1 2 403.913 2.788 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCCc4occc43)CC2)cc1 ZINC000788613234 1077227519 /nfs/dbraw/zinc/22/75/19/1077227519.db2.gz OOGAXCSQNDDKRW-HXUWFJFHSA-N 1 2 410.518 2.624 20 0 HFADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(C(F)(F)F)cnc1Cl ZINC000790910715 1077246399 /nfs/dbraw/zinc/24/63/99/1077246399.db2.gz LMXAUNUVARJKOA-UHFFFAOYSA-N 1 2 403.792 2.535 20 0 HFADLO C[C@@H](NC(=O)C(=O)NCCCNc1cccc[nH+]1)c1cccc(OC(F)(F)F)c1 ZINC000788663633 1077258863 /nfs/dbraw/zinc/25/88/63/1077258863.db2.gz HQCMZJZVMOKELQ-CYBMUJFWSA-N 1 2 410.396 2.776 20 0 HFADLO C[NH+](C)[C@@H]1CCOc2c(NC(=O)Cn3c(=O)c4ccccc4[nH]c3=S)cccc21 ZINC000791039127 1077279607 /nfs/dbraw/zinc/27/96/07/1077279607.db2.gz MYBLCCXAWTVHDG-QGZVFWFLSA-N 1 2 410.499 2.709 20 0 HFADLO C[C@@H]1C[N@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000788769202 1077282918 /nfs/dbraw/zinc/28/29/18/1077282918.db2.gz ICQCCDLHPPWVEV-QRQLOZEOSA-N 1 2 415.534 2.797 20 0 HFADLO C[C@@H]1C[N@@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000788769202 1077282923 /nfs/dbraw/zinc/28/29/23/1077282923.db2.gz ICQCCDLHPPWVEV-QRQLOZEOSA-N 1 2 415.534 2.797 20 0 HFADLO C[N@H+](CN1C(=O)C[C@H](Cc2ccccc2)C1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000788773057 1077296016 /nfs/dbraw/zinc/29/60/16/1077296016.db2.gz WNZYZEZTWCOJIH-ZWKOTPCHSA-N 1 2 401.507 2.503 20 0 HFADLO C[N@@H+](CN1C(=O)C[C@H](Cc2ccccc2)C1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000788773057 1077296018 /nfs/dbraw/zinc/29/60/18/1077296018.db2.gz WNZYZEZTWCOJIH-ZWKOTPCHSA-N 1 2 401.507 2.503 20 0 HFADLO O=S(=O)(c1ccccc1C(F)(F)F)N1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000788815935 1077306627 /nfs/dbraw/zinc/30/66/27/1077306627.db2.gz JMRQDLKOMVUOEY-INIZCTEOSA-N 1 2 420.497 2.953 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cc(OCc4ccccc4)ccn3)cc2C1 ZINC000788835354 1077314866 /nfs/dbraw/zinc/31/48/66/1077314866.db2.gz BVTMGIXPEMCFJI-UHFFFAOYSA-N 1 2 416.481 2.756 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cc(OCc4ccccc4)ccn3)cc2C1 ZINC000788835354 1077314872 /nfs/dbraw/zinc/31/48/72/1077314872.db2.gz BVTMGIXPEMCFJI-UHFFFAOYSA-N 1 2 416.481 2.756 20 0 HFADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)c4cccnc4F)CC3)n2)cc1 ZINC000791213118 1077346845 /nfs/dbraw/zinc/34/68/45/1077346845.db2.gz WJMZMDCLBJFCPH-UHFFFAOYSA-N 1 2 409.465 2.970 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)N3CCN(c4cccc[nH+]4)CC3)C2=O)c(C)c1 ZINC000788934361 1077368395 /nfs/dbraw/zinc/36/83/95/1077368395.db2.gz WLCVUSSNCIABKS-IBGZPJMESA-N 1 2 407.518 2.644 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000791381594 1077388597 /nfs/dbraw/zinc/38/85/97/1077388597.db2.gz JAJDYKSPCMSAGD-UHFFFAOYSA-N 1 2 401.426 2.822 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000791365186 1077394484 /nfs/dbraw/zinc/39/44/84/1077394484.db2.gz KDCWZYLGTINORO-HNNXBMFYSA-N 1 2 403.442 2.919 20 0 HFADLO CCS(=O)(=O)NCc1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000791395842 1077398225 /nfs/dbraw/zinc/39/82/25/1077398225.db2.gz OARNMHDHRYYDGM-UHFFFAOYSA-N 1 2 413.499 2.977 20 0 HFADLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cc[nH+]c(N)c3)cc2)C1 ZINC000791456904 1077413801 /nfs/dbraw/zinc/41/38/01/1077413801.db2.gz RJKHTOABKATPRI-HUUCEWRRSA-N 1 2 403.504 2.687 20 0 HFADLO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cc[nH+]c(N)c3)cc2)C1 ZINC000791456902 1077413850 /nfs/dbraw/zinc/41/38/50/1077413850.db2.gz RJKHTOABKATPRI-GJZGRUSLSA-N 1 2 403.504 2.687 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3ccccc3Cn3cc[nH+]c3)C2)c1 ZINC000791488424 1077428423 /nfs/dbraw/zinc/42/84/23/1077428423.db2.gz OPSJIBLBJQBXHJ-JOCHJYFZSA-N 1 2 420.469 2.758 20 0 HFADLO CC(C)(C)OC(=O)N1CC=C(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000789220809 1077448868 /nfs/dbraw/zinc/44/88/68/1077448868.db2.gz SHDRFONGPBEAOS-GOSISDBHSA-N 1 2 402.495 2.812 20 0 HFADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789246799 1077470589 /nfs/dbraw/zinc/47/05/89/1077470589.db2.gz XFPNPYHOCKHWND-NXHRZFHOSA-N 1 2 404.511 2.890 20 0 HFADLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791587044 1077492524 /nfs/dbraw/zinc/49/25/24/1077492524.db2.gz FHGMZZTWALMRTL-OAHLLOKOSA-N 1 2 403.504 2.892 20 0 HFADLO CCCS(=O)(=O)NC1CC[NH+]([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000789313418 1077510927 /nfs/dbraw/zinc/51/09/27/1077510927.db2.gz MIOUYFVYYUNQKA-IBGZPJMESA-N 1 2 407.580 2.511 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000791662233 1077516327 /nfs/dbraw/zinc/51/63/27/1077516327.db2.gz ORLZUHGTHHPQMT-IAISJRAMSA-N 1 2 415.317 2.777 20 0 HFADLO CC/C(=C/C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)c1ccc(OC)cc1 ZINC000746799680 1077529439 /nfs/dbraw/zinc/52/94/39/1077529439.db2.gz JIZKQEIBNDBBLK-MNDPQUGUSA-N 1 2 407.514 2.932 20 0 HFADLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789364392 1077539401 /nfs/dbraw/zinc/53/94/01/1077539401.db2.gz IWDMWDXCPYATBZ-HTAPYJJXSA-N 1 2 423.513 2.953 20 0 HFADLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789364392 1077539405 /nfs/dbraw/zinc/53/94/05/1077539405.db2.gz IWDMWDXCPYATBZ-HTAPYJJXSA-N 1 2 423.513 2.953 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)C1=O ZINC000789422579 1077552885 /nfs/dbraw/zinc/55/28/85/1077552885.db2.gz DDWOBZLHXAJEHV-SBUREZEXSA-N 1 2 420.598 2.953 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2cc(-c3ccco3)nn2C(C)C)c1C ZINC000789432335 1077570492 /nfs/dbraw/zinc/57/04/92/1077570492.db2.gz KLGOIOMHJFDAPC-UHFFFAOYSA-N 1 2 411.462 2.999 20 0 HFADLO Nc1cc(COC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc[nH+]1 ZINC000791868301 1077592200 /nfs/dbraw/zinc/59/22/00/1077592200.db2.gz CNNNPKUEEOMWTI-AWEZNQCLSA-N 1 2 423.256 2.919 20 0 HFADLO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000746823904 1077603251 /nfs/dbraw/zinc/60/32/51/1077603251.db2.gz GCMYKOKGSRIVEO-HKUYNNGSSA-N 1 2 405.539 2.507 20 0 HFADLO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000746823904 1077603254 /nfs/dbraw/zinc/60/32/54/1077603254.db2.gz GCMYKOKGSRIVEO-HKUYNNGSSA-N 1 2 405.539 2.507 20 0 HFADLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521564 1077616802 /nfs/dbraw/zinc/61/68/02/1077616802.db2.gz OEWLDFFGUQDBHX-BEFAXECRSA-N 1 2 412.465 2.595 20 0 HFADLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521564 1077616807 /nfs/dbraw/zinc/61/68/07/1077616807.db2.gz OEWLDFFGUQDBHX-BEFAXECRSA-N 1 2 412.465 2.595 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)[nH+]1 ZINC000789598965 1077703615 /nfs/dbraw/zinc/70/36/15/1077703615.db2.gz JQIMGCDAKPXTCM-UHFFFAOYSA-N 1 2 424.292 2.637 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)OCc3cc[nH+]c(N)c3)cn2)C1 ZINC000792135289 1077718614 /nfs/dbraw/zinc/71/86/14/1077718614.db2.gz YJSUOAQQCLWKHO-INIZCTEOSA-N 1 2 401.467 2.789 20 0 HFADLO C[C@H]([C@H](C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000792143066 1077721339 /nfs/dbraw/zinc/72/13/39/1077721339.db2.gz FEQKWYBNAAGECW-FRQCXROJSA-N 1 2 423.529 2.659 20 0 HFADLO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792210474 1077765804 /nfs/dbraw/zinc/76/58/04/1077765804.db2.gz WEUXWOJZXCYEKL-ZDUSSCGKSA-N 1 2 401.463 2.660 20 0 HFADLO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000792210474 1077765809 /nfs/dbraw/zinc/76/58/09/1077765809.db2.gz WEUXWOJZXCYEKL-ZDUSSCGKSA-N 1 2 401.463 2.660 20 0 HFADLO C[N@@H+]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000792217108 1077771090 /nfs/dbraw/zinc/77/10/90/1077771090.db2.gz DKTQDRDCJQTXBY-IBGZPJMESA-N 1 2 412.534 2.835 20 0 HFADLO C[N@H+]1CCN(C(=O)CCc2cnc3ccccc3c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000792217108 1077771095 /nfs/dbraw/zinc/77/10/95/1077771095.db2.gz DKTQDRDCJQTXBY-IBGZPJMESA-N 1 2 412.534 2.835 20 0 HFADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000792250070 1077779073 /nfs/dbraw/zinc/77/90/73/1077779073.db2.gz BQLLEPFAYBKQJM-IAGOWNOFSA-N 1 2 420.554 2.997 20 0 HFADLO COC(=O)c1csc(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC000792300122 1077796031 /nfs/dbraw/zinc/79/60/31/1077796031.db2.gz IKHFRXZJRLFLLO-UHFFFAOYSA-N 1 2 411.524 2.724 20 0 HFADLO C[N@@H+]1CCN(C(=O)NCc2ccc3ncccc3c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000792321858 1077806148 /nfs/dbraw/zinc/80/61/48/1077806148.db2.gz GKZWJQYSIQNLIS-GOSISDBHSA-N 1 2 413.522 2.585 20 0 HFADLO C[N@H+]1CCN(C(=O)NCc2ccc3ncccc3c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000792321858 1077806154 /nfs/dbraw/zinc/80/61/54/1077806154.db2.gz GKZWJQYSIQNLIS-GOSISDBHSA-N 1 2 413.522 2.585 20 0 HFADLO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000792421422 1077850560 /nfs/dbraw/zinc/85/05/60/1077850560.db2.gz QMTGGICODCGRHP-OAHLLOKOSA-N 1 2 415.494 2.573 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@H](C(C)C)[NH+]3C[C@H](C)O[C@@H](C)C3)C2=O)c(C)c1 ZINC000789894381 1077852591 /nfs/dbraw/zinc/85/25/91/1077852591.db2.gz IUUBOUKYTRXTEU-TUFLPTIASA-N 1 2 415.578 2.967 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)c3ccccc3C[NH+]3CCOCC3)C2=O)c(C)c1 ZINC000789894405 1077852881 /nfs/dbraw/zinc/85/28/81/1077852881.db2.gz JHVFSCJWZIGEOI-QFIPXVFZSA-N 1 2 421.541 2.979 20 0 HFADLO CC(C)(C)C[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000747076060 1077869134 /nfs/dbraw/zinc/86/91/34/1077869134.db2.gz JXSQZEBOXSZLNP-KKSFZXQISA-N 1 2 421.563 2.715 20 0 HFADLO CC(C)(C)C[C@@H]1CCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000747076060 1077869138 /nfs/dbraw/zinc/86/91/38/1077869138.db2.gz JXSQZEBOXSZLNP-KKSFZXQISA-N 1 2 421.563 2.715 20 0 HFADLO COc1ccc(CCS(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000790044749 1077909641 /nfs/dbraw/zinc/90/96/41/1077909641.db2.gz YGHFKUTUWLYUQO-WOJBJXKFSA-N 1 2 410.486 2.881 20 0 HFADLO COc1ccc(CCS(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000790044749 1077909642 /nfs/dbraw/zinc/90/96/42/1077909642.db2.gz YGHFKUTUWLYUQO-WOJBJXKFSA-N 1 2 410.486 2.881 20 0 HFADLO Nc1[nH+]ccc2c1CN(C(=O)[C@H]1CCN(c3cc(Cl)ccc3Cl)C1=O)CC2 ZINC001170258567 1077920270 /nfs/dbraw/zinc/92/02/70/1077920270.db2.gz QHKZYGSOHPDCQI-CYBMUJFWSA-N 1 2 405.285 2.908 20 0 HFADLO O=C(C[N@@H+]1CCOCC12CCCCC2)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001170315748 1077941562 /nfs/dbraw/zinc/94/15/62/1077941562.db2.gz QIBVYPYESSAOOP-UHFFFAOYSA-N 1 2 403.479 2.531 20 0 HFADLO O=C(C[N@H+]1CCOCC12CCCCC2)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC001170315748 1077941564 /nfs/dbraw/zinc/94/15/64/1077941564.db2.gz QIBVYPYESSAOOP-UHFFFAOYSA-N 1 2 403.479 2.531 20 0 HFADLO O=C(NC[C@H](O)c1ccccc1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000772811673 1077944546 /nfs/dbraw/zinc/94/45/46/1077944546.db2.gz SMOQBGVMKAOLLI-FQEVSTJZSA-N 1 2 404.470 2.675 20 0 HFADLO Cc1csc([C@@](O)(CC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C(F)(F)F)n1 ZINC000790154171 1077960425 /nfs/dbraw/zinc/96/04/25/1077960425.db2.gz UULFDVRUUUMGIC-CJNGLKHVSA-N 1 2 401.410 2.666 20 0 HFADLO Cc1csc([C@](O)(CC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C(F)(F)F)n1 ZINC000790154177 1077960484 /nfs/dbraw/zinc/96/04/84/1077960484.db2.gz UULFDVRUUUMGIC-CZUORRHYSA-N 1 2 401.410 2.666 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)cc2C1 ZINC000790156955 1077961160 /nfs/dbraw/zinc/96/11/60/1077961160.db2.gz FKYXZFBNFRGGHY-GOSISDBHSA-N 1 2 422.312 2.899 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)cc2C1 ZINC000790156955 1077961162 /nfs/dbraw/zinc/96/11/62/1077961162.db2.gz FKYXZFBNFRGGHY-GOSISDBHSA-N 1 2 422.312 2.899 20 0 HFADLO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000790157695 1077961174 /nfs/dbraw/zinc/96/11/74/1077961174.db2.gz JJRHJVLQLXRGPH-UHFFFAOYSA-N 1 2 423.904 2.930 20 0 HFADLO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000790157695 1077961177 /nfs/dbraw/zinc/96/11/77/1077961177.db2.gz JJRHJVLQLXRGPH-UHFFFAOYSA-N 1 2 423.904 2.930 20 0 HFADLO CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000790152613 1077965774 /nfs/dbraw/zinc/96/57/74/1077965774.db2.gz COLJTQGUYUMKAX-QFIPXVFZSA-N 1 2 418.538 2.552 20 0 HFADLO CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000790152613 1077965775 /nfs/dbraw/zinc/96/57/75/1077965775.db2.gz COLJTQGUYUMKAX-QFIPXVFZSA-N 1 2 418.538 2.552 20 0 HFADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000790290975 1077986821 /nfs/dbraw/zinc/98/68/21/1077986821.db2.gz RSDXZYSOPROWFG-GOSISDBHSA-N 1 2 424.586 2.530 20 0 HFADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000790290975 1077986823 /nfs/dbraw/zinc/98/68/23/1077986823.db2.gz RSDXZYSOPROWFG-GOSISDBHSA-N 1 2 424.586 2.530 20 0 HFADLO O=C1c2cc(Br)ccc2S(=O)(=O)N1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000790264779 1077989886 /nfs/dbraw/zinc/98/98/86/1077989886.db2.gz NBRPQEVRCOEQLW-UHFFFAOYSA-N 1 2 418.272 2.980 20 0 HFADLO C[C@H]1C[N@H+](CCNC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)CCO1 ZINC000790270647 1077991945 /nfs/dbraw/zinc/99/19/45/1077991945.db2.gz SXLLGOBFZSZUHG-SFHVURJKSA-N 1 2 424.586 2.530 20 0 HFADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)CCO1 ZINC000790270647 1077991947 /nfs/dbraw/zinc/99/19/47/1077991947.db2.gz SXLLGOBFZSZUHG-SFHVURJKSA-N 1 2 424.586 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000792849156 1078014035 /nfs/dbraw/zinc/01/40/35/1078014035.db2.gz PKGKQSJNGYYQJS-IBGZPJMESA-N 1 2 417.550 2.781 20 0 HFADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000792884478 1078016908 /nfs/dbraw/zinc/01/69/08/1078016908.db2.gz PBUQPWDTAZTHMQ-GFCCVEGCSA-N 1 2 408.474 2.665 20 0 HFADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000792884478 1078016912 /nfs/dbraw/zinc/01/69/12/1078016912.db2.gz PBUQPWDTAZTHMQ-GFCCVEGCSA-N 1 2 408.474 2.665 20 0 HFADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792911245 1078023575 /nfs/dbraw/zinc/02/35/75/1078023575.db2.gz QXDGMLHRXRFIPO-WMLDXEAASA-N 1 2 418.390 2.729 20 0 HFADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792911245 1078023580 /nfs/dbraw/zinc/02/35/80/1078023580.db2.gz QXDGMLHRXRFIPO-WMLDXEAASA-N 1 2 418.390 2.729 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)ccc1Cl ZINC000790461808 1078027654 /nfs/dbraw/zinc/02/76/54/1078027654.db2.gz XLRYNCHNOMSSIW-MRXNPFEDSA-N 1 2 422.934 2.674 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)ccc1Cl ZINC000790461808 1078027658 /nfs/dbraw/zinc/02/76/58/1078027658.db2.gz XLRYNCHNOMSSIW-MRXNPFEDSA-N 1 2 422.934 2.674 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(C(=O)NCc3ccc(F)cc3)CC1)C2 ZINC000790439243 1078031860 /nfs/dbraw/zinc/03/18/60/1078031860.db2.gz UPUAEVXYDYXEET-UHFFFAOYSA-N 1 2 411.477 2.776 20 0 HFADLO Cc1ccc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)nc1Br ZINC000792968065 1078038449 /nfs/dbraw/zinc/03/84/49/1078038449.db2.gz FTSMSRGQCXLPNL-UHFFFAOYSA-N 1 2 414.263 2.593 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F ZINC000806219934 1079504704 /nfs/dbraw/zinc/50/47/04/1079504704.db2.gz QMGDQOWNPFZDNQ-UKRRQHHQSA-N 1 2 424.427 2.613 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3cnc(C4CC4)nc3)C2)CC1 ZINC000806256211 1079523740 /nfs/dbraw/zinc/52/37/40/1079523740.db2.gz IFHUOBLLQMEDDJ-QGZVFWFLSA-N 1 2 416.526 2.513 20 0 HFADLO CCCCOCCCNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806286692 1079549049 /nfs/dbraw/zinc/54/90/49/1079549049.db2.gz HONALDTXUQQEAD-SFHVURJKSA-N 1 2 412.575 2.530 20 0 HFADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N[C@H]3CCCc4cn(C(C)C)nc43)CC2)c1 ZINC000806300296 1079553555 /nfs/dbraw/zinc/55/35/55/1079553555.db2.gz GLFBSAKPZYVDLW-NRFANRHFSA-N 1 2 423.561 2.610 20 0 HFADLO Cc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000806288600 1079573780 /nfs/dbraw/zinc/57/37/80/1079573780.db2.gz ZCDZGLZRZIBVQM-IBGZPJMESA-N 1 2 402.539 2.832 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000806332245 1079602545 /nfs/dbraw/zinc/60/25/45/1079602545.db2.gz LLOFQFATLIONAF-OKCBSYDYSA-N 1 2 405.442 2.641 20 0 HFADLO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C)n1 ZINC000806352001 1079623669 /nfs/dbraw/zinc/62/36/69/1079623669.db2.gz XDMAZEVGAMPWCB-MRXNPFEDSA-N 1 2 419.526 2.558 20 0 HFADLO COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000806388155 1079638135 /nfs/dbraw/zinc/63/81/35/1079638135.db2.gz BEANZSKYYGUEMG-INIZCTEOSA-N 1 2 402.451 2.657 20 0 HFADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCCC[C@@H]1COC(=O)NC(C)C ZINC000806357934 1079646099 /nfs/dbraw/zinc/64/60/99/1079646099.db2.gz LIUICHRRHFCBIW-QGZVFWFLSA-N 1 2 419.526 2.748 20 0 HFADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000806360681 1079648419 /nfs/dbraw/zinc/64/84/19/1079648419.db2.gz BBHDGUQGCHLIIV-SFHVURJKSA-N 1 2 403.527 2.834 20 0 HFADLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c(C)c1 ZINC001170507142 1079648443 /nfs/dbraw/zinc/64/84/43/1079648443.db2.gz NRDUVAOZAYHKHF-LJQANCHMSA-N 1 2 417.937 2.985 20 0 HFADLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)c(C)c1 ZINC001170507142 1079648447 /nfs/dbraw/zinc/64/84/47/1079648447.db2.gz NRDUVAOZAYHKHF-LJQANCHMSA-N 1 2 417.937 2.985 20 0 HFADLO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000806361900 1079648971 /nfs/dbraw/zinc/64/89/71/1079648971.db2.gz KNJOHOXLXXSHQC-SFHVURJKSA-N 1 2 403.527 2.881 20 0 HFADLO Cc1cc(=O)c(C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)cn1C1CC1 ZINC000806366802 1079654100 /nfs/dbraw/zinc/65/41/00/1079654100.db2.gz CSZXCIXRLLAKQA-UHFFFAOYSA-N 1 2 402.498 2.998 20 0 HFADLO COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000806453242 1079723095 /nfs/dbraw/zinc/72/30/95/1079723095.db2.gz IWBMKYMSAMLDBK-HNNXBMFYSA-N 1 2 402.451 2.657 20 0 HFADLO COCc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000806463727 1079736369 /nfs/dbraw/zinc/73/63/69/1079736369.db2.gz SJHXHUSWZOBALW-LJQANCHMSA-N 1 2 418.538 2.992 20 0 HFADLO C[C@@]1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC(c2ccccc2Cl)=NO1 ZINC000806554120 1079817664 /nfs/dbraw/zinc/81/76/64/1079817664.db2.gz KRJXDKRAQZJRBA-PMACEKPBSA-N 1 2 423.966 2.547 20 0 HFADLO COCCCOc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1OC ZINC000806623630 1079882418 /nfs/dbraw/zinc/88/24/18/1079882418.db2.gz RJLQSZNSAFYPFZ-KRWDZBQOSA-N 1 2 400.479 2.906 20 0 HFADLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000806670975 1079905838 /nfs/dbraw/zinc/90/58/38/1079905838.db2.gz KZTTVINUTFFCCH-INDMIFKZSA-N 1 2 424.586 2.527 20 0 HFADLO CC1(C)C[N@H+](CCNC(=O)N2CCCC[C@H]2COC(=O)NC2CCCCC2)CCO1 ZINC000806665787 1079928608 /nfs/dbraw/zinc/92/86/08/1079928608.db2.gz GPWMZNCAHKMOAQ-IBGZPJMESA-N 1 2 424.586 2.720 20 0 HFADLO CC1(C)C[N@@H+](CCNC(=O)N2CCCC[C@H]2COC(=O)NC2CCCCC2)CCO1 ZINC000806665787 1079928611 /nfs/dbraw/zinc/92/86/11/1079928611.db2.gz GPWMZNCAHKMOAQ-IBGZPJMESA-N 1 2 424.586 2.720 20 0 HFADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000806753665 1079968774 /nfs/dbraw/zinc/96/87/74/1079968774.db2.gz XHNLFPSNUVFETG-REWPJTCUSA-N 1 2 410.562 2.568 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCc3cc(F)ccc3F)CC2)C1 ZINC000806740854 1079995945 /nfs/dbraw/zinc/99/59/45/1079995945.db2.gz NWOFQMRUZUPOMU-KRWDZBQOSA-N 1 2 424.492 2.801 20 0 HFADLO COC(=O)c1cc(C)c(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(Cl)c1 ZINC000806842188 1080054853 /nfs/dbraw/zinc/05/48/53/1080054853.db2.gz HAWBNUQRFLYWTE-OAHLLOKOSA-N 1 2 420.897 2.801 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000806888318 1080085235 /nfs/dbraw/zinc/08/52/35/1080085235.db2.gz GQGVCDVOCXETCD-QZTJIDSGSA-N 1 2 413.534 2.866 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000806888318 1080085246 /nfs/dbraw/zinc/08/52/46/1080085246.db2.gz GQGVCDVOCXETCD-QZTJIDSGSA-N 1 2 413.534 2.866 20 0 HFADLO Cc1cnc([C@H](C)NC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC000806923534 1080091477 /nfs/dbraw/zinc/09/14/77/1080091477.db2.gz MHMFFBGQDOGDJY-JKSUJKDBSA-N 1 2 423.583 2.849 20 0 HFADLO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C[C@H]1C ZINC000806925954 1080094944 /nfs/dbraw/zinc/09/49/44/1080094944.db2.gz TVJYISOJQSDDQI-ZHALLVOQSA-N 1 2 400.567 2.779 20 0 HFADLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCN3C(=O)C(F)(F)F)CC2)s1 ZINC000806894610 1080100834 /nfs/dbraw/zinc/10/08/34/1080100834.db2.gz CANYLXNOZSHTLO-OAHLLOKOSA-N 1 2 403.470 2.508 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000806992119 1080172128 /nfs/dbraw/zinc/17/21/28/1080172128.db2.gz BHOKFSFXFHQQDU-CVEARBPZSA-N 1 2 416.513 2.901 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)N[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000806980829 1080189638 /nfs/dbraw/zinc/18/96/38/1080189638.db2.gz WDMXVJJROGIOQK-CABCVRRESA-N 1 2 402.486 2.511 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCC3(C4CC4)CCC3)CC2)C1 ZINC000807012525 1080210166 /nfs/dbraw/zinc/21/01/66/1080210166.db2.gz VTXHEGJNOTXKLY-GOSISDBHSA-N 1 2 406.571 2.903 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)CCSC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807059083 1080241394 /nfs/dbraw/zinc/24/13/94/1080241394.db2.gz HCHJCUQUKRZGRT-ZLIFDBKOSA-N 1 2 415.962 2.988 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)CCSC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807059083 1080241404 /nfs/dbraw/zinc/24/14/04/1080241404.db2.gz HCHJCUQUKRZGRT-ZLIFDBKOSA-N 1 2 415.962 2.988 20 0 HFADLO C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCO1 ZINC000807103542 1080282854 /nfs/dbraw/zinc/28/28/54/1080282854.db2.gz NMBIVOWJBLSMRZ-CEXWTWQISA-N 1 2 424.586 2.528 20 0 HFADLO CC[N@H+](CC(=O)N1CCC([C@@H](O)c2nccn2C)CC1)Cc1ccccc1Cl ZINC000807113421 1080291147 /nfs/dbraw/zinc/29/11/47/1080291147.db2.gz DUMIYSDQKFFCBV-HXUWFJFHSA-N 1 2 404.942 2.868 20 0 HFADLO CC[N@@H+](CC(=O)N1CCC([C@@H](O)c2nccn2C)CC1)Cc1ccccc1Cl ZINC000807113421 1080291156 /nfs/dbraw/zinc/29/11/56/1080291156.db2.gz DUMIYSDQKFFCBV-HXUWFJFHSA-N 1 2 404.942 2.868 20 0 HFADLO CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000807149506 1080307572 /nfs/dbraw/zinc/30/75/72/1080307572.db2.gz DCBYHONUACRBRX-ZWKOTPCHSA-N 1 2 403.527 2.631 20 0 HFADLO CNC(=O)OC[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000807161135 1080317638 /nfs/dbraw/zinc/31/76/38/1080317638.db2.gz DFNHLRXQHKUUBB-MRXNPFEDSA-N 1 2 408.930 2.618 20 0 HFADLO CNC(=O)OC[C@H]1CCCCN1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000807161135 1080317644 /nfs/dbraw/zinc/31/76/44/1080317644.db2.gz DFNHLRXQHKUUBB-MRXNPFEDSA-N 1 2 408.930 2.618 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000807182915 1080375831 /nfs/dbraw/zinc/37/58/31/1080375831.db2.gz KPOQPQLIENALQV-NEWSRXKRSA-N 1 2 424.586 2.575 20 0 HFADLO CC1(C)C[N@@H+](C2(CNC(=O)CSc3n[nH]c(=S)s3)CCCCC2)CCO1 ZINC000747385796 1080456530 /nfs/dbraw/zinc/45/65/30/1080456530.db2.gz CPMYVWHRYZZELS-UHFFFAOYSA-N 1 2 416.638 2.849 20 0 HFADLO CC1(C)C[N@H+](C2(CNC(=O)CSc3n[nH]c(=S)s3)CCCCC2)CCO1 ZINC000747385796 1080456534 /nfs/dbraw/zinc/45/65/34/1080456534.db2.gz CPMYVWHRYZZELS-UHFFFAOYSA-N 1 2 416.638 2.849 20 0 HFADLO Cc1cc(C)cc(CCNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000807427468 1080589050 /nfs/dbraw/zinc/58/90/50/1080589050.db2.gz VWXMWXGJJLHKBZ-UHFFFAOYSA-N 1 2 422.573 2.813 20 0 HFADLO COC(=O)Nc1cccc(CNC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000807491748 1080681869 /nfs/dbraw/zinc/68/18/69/1080681869.db2.gz BGXWTJWGEOUVHK-UHFFFAOYSA-N 1 2 412.490 2.901 20 0 HFADLO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000747399546 1080728438 /nfs/dbraw/zinc/72/84/38/1080728438.db2.gz APTIHTSWJADTTE-RBSFLKMASA-N 1 2 400.479 2.561 20 0 HFADLO COC[C@@]1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807551043 1080766834 /nfs/dbraw/zinc/76/68/34/1080766834.db2.gz MHRDFEYBHIWWGQ-NRFANRHFSA-N 1 2 421.542 2.646 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807518306 1080771036 /nfs/dbraw/zinc/77/10/36/1080771036.db2.gz SIRNDWSMYYEKTF-OALUTQOASA-N 1 2 405.420 2.590 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807518306 1080771045 /nfs/dbraw/zinc/77/10/45/1080771045.db2.gz SIRNDWSMYYEKTF-OALUTQOASA-N 1 2 405.420 2.590 20 0 HFADLO C[C@H](CNC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000747400908 1080777161 /nfs/dbraw/zinc/77/71/61/1080777161.db2.gz PKCXZCDLDBWOLV-BKAYVGFPSA-N 1 2 403.446 2.580 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000807526140 1080778526 /nfs/dbraw/zinc/77/85/26/1080778526.db2.gz SINYJXWGCVSYCR-UXHICEINSA-N 1 2 411.506 2.889 20 0 HFADLO COC[C@@]1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554222 1080803937 /nfs/dbraw/zinc/80/39/37/1080803937.db2.gz RYBYQPMUHKBHHV-IERDGZPVSA-N 1 2 421.542 2.715 20 0 HFADLO COC[C@@]1(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554674 1080805705 /nfs/dbraw/zinc/80/57/05/1080805705.db2.gz ZCWSLWRBNLIZAH-UWJYYQICSA-N 1 2 421.542 2.646 20 0 HFADLO CN(C)c1cc(Cl)nc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)n1 ZINC001164677623 719562894 /nfs/dbraw/zinc/56/28/94/719562894.db2.gz POQZDOHJWZCIHH-UHFFFAOYSA-N 1 2 409.828 2.536 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2c(Cl)ccnc2cn1 ZINC001164700191 719860297 /nfs/dbraw/zinc/86/02/97/719860297.db2.gz HDRAKIIRNGZGBT-XOBRGWDASA-N 1 2 404.898 2.516 20 0 HFADLO CCc1nc(Cl)nc(Cl)c1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164701377 719878344 /nfs/dbraw/zinc/87/83/44/719878344.db2.gz NLEXBEQKJQRPCG-XIKOKIGWSA-N 1 2 417.337 2.579 20 0 HFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)ncc(Cl)c3Cl)C2)C1 ZINC001164718686 720254445 /nfs/dbraw/zinc/25/44/45/720254445.db2.gz HAEYFXQPZDSLJH-KRWDZBQOSA-N 1 2 421.756 2.707 20 0 HFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)ncc(Cl)c3Cl)C2)C1 ZINC001164718686 720254457 /nfs/dbraw/zinc/25/44/57/720254457.db2.gz HAEYFXQPZDSLJH-KRWDZBQOSA-N 1 2 421.756 2.707 20 0 HFADLO CCCc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164819766 720379264 /nfs/dbraw/zinc/37/92/64/720379264.db2.gz IIAOMJSNWOTLQO-UHFFFAOYSA-N 1 2 414.579 2.507 20 0 HFADLO CCCc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164819766 720379274 /nfs/dbraw/zinc/37/92/74/720379274.db2.gz IIAOMJSNWOTLQO-UHFFFAOYSA-N 1 2 414.579 2.507 20 0 HFADLO CCOC[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)Cc2cnn(C)c21 ZINC001164790310 721476275 /nfs/dbraw/zinc/47/62/75/721476275.db2.gz DJBBRQYXYLMSOO-FQEVSTJZSA-N 1 2 418.545 2.909 20 0 HFADLO CCOC[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)Cc2cnn(C)c21 ZINC001164790310 721476279 /nfs/dbraw/zinc/47/62/79/721476279.db2.gz DJBBRQYXYLMSOO-FQEVSTJZSA-N 1 2 418.545 2.909 20 0 HFADLO CCOC(=O)c1nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)ccc1Cl ZINC001165009012 721710513 /nfs/dbraw/zinc/71/05/13/721710513.db2.gz MWAKMUDVMOEYDC-UHFFFAOYSA-N 1 2 406.918 2.754 20 0 HFADLO CCOC(=O)c1nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)ccc1Cl ZINC001165009012 721710514 /nfs/dbraw/zinc/71/05/14/721710514.db2.gz MWAKMUDVMOEYDC-UHFFFAOYSA-N 1 2 406.918 2.754 20 0 HFADLO Clc1cc(C2CC2)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914881 721784421 /nfs/dbraw/zinc/78/44/21/721784421.db2.gz GXJAFPQCBXLZSB-OAQYLSRUSA-N 1 2 415.925 2.510 20 0 HFADLO Clc1cc(C2CC2)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914881 721784428 /nfs/dbraw/zinc/78/44/28/721784428.db2.gz GXJAFPQCBXLZSB-OAQYLSRUSA-N 1 2 415.925 2.510 20 0 HFADLO c1csc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914625 721787412 /nfs/dbraw/zinc/78/74/12/721787412.db2.gz FOQLEIKFIYPBAS-QFIPXVFZSA-N 1 2 423.542 2.708 20 0 HFADLO c1csc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914625 721787416 /nfs/dbraw/zinc/78/74/16/721787416.db2.gz FOQLEIKFIYPBAS-QFIPXVFZSA-N 1 2 423.542 2.708 20 0 HFADLO COc1ccc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164915571 721787855 /nfs/dbraw/zinc/78/78/55/721787855.db2.gz LIJJIUYXRVGQRA-DEOSSOPVSA-N 1 2 420.513 2.746 20 0 HFADLO COc1ccc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164915571 721787858 /nfs/dbraw/zinc/78/78/58/721787858.db2.gz LIJJIUYXRVGQRA-DEOSSOPVSA-N 1 2 420.513 2.746 20 0 HFADLO CCSc1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913708 721799001 /nfs/dbraw/zinc/79/90/01/721799001.db2.gz GHGIIAXNOPIMEO-NRFANRHFSA-N 1 2 400.548 2.696 20 0 HFADLO CCSc1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913708 721799004 /nfs/dbraw/zinc/79/90/04/721799004.db2.gz GHGIIAXNOPIMEO-NRFANRHFSA-N 1 2 400.548 2.696 20 0 HFADLO c1cc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cs1 ZINC001164913451 721799364 /nfs/dbraw/zinc/79/93/64/721799364.db2.gz DGLYRGASSRJLTA-QFIPXVFZSA-N 1 2 423.542 2.708 20 0 HFADLO c1cc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cs1 ZINC001164913451 721799367 /nfs/dbraw/zinc/79/93/67/721799367.db2.gz DGLYRGASSRJLTA-QFIPXVFZSA-N 1 2 423.542 2.708 20 0 HFADLO CN(C)c1cc(C(F)(F)N2CC[NH+](CCOc3ccccc3)CC2)nc(Cl)n1 ZINC001165044870 721961976 /nfs/dbraw/zinc/96/19/76/721961976.db2.gz PTJGYSLIPPJJPB-UHFFFAOYSA-N 1 2 411.884 2.942 20 0 HFADLO Cc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc2ccccc12 ZINC001164946890 721973311 /nfs/dbraw/zinc/97/33/11/721973311.db2.gz YPRQBBSFENUFSX-UHFFFAOYSA-N 1 2 401.514 2.909 20 0 HFADLO Cc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc2ccccc12 ZINC001164946890 721973313 /nfs/dbraw/zinc/97/33/13/721973313.db2.gz YPRQBBSFENUFSX-UHFFFAOYSA-N 1 2 401.514 2.909 20 0 HFADLO COc1cccc2cnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc21 ZINC001164947730 721974241 /nfs/dbraw/zinc/97/42/41/721974241.db2.gz RQVCOIDZSWNXQX-UHFFFAOYSA-N 1 2 417.513 2.609 20 0 HFADLO COc1cccc2cnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc21 ZINC001164947730 721974243 /nfs/dbraw/zinc/97/42/43/721974243.db2.gz RQVCOIDZSWNXQX-UHFFFAOYSA-N 1 2 417.513 2.609 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccccn3)nn1)CC2 ZINC001164949406 721979441 /nfs/dbraw/zinc/97/94/41/721979441.db2.gz PNAKEGGKSGUOBM-UHFFFAOYSA-N 1 2 414.513 2.510 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccccn3)nn1)CC2 ZINC001164949406 721979443 /nfs/dbraw/zinc/97/94/43/721979443.db2.gz PNAKEGGKSGUOBM-UHFFFAOYSA-N 1 2 414.513 2.510 20 0 HFADLO CC(C)C(=O)N1CC[N@@H+](C(C)(C)c2ccnc(Cl)c2)C[C@]2(CCCC(=O)N2)C1 ZINC001164976857 722088811 /nfs/dbraw/zinc/08/88/11/722088811.db2.gz TYQSYZUUXRYYIH-NRFANRHFSA-N 1 2 406.958 2.809 20 0 HFADLO CC(C)C(=O)N1CC[N@H+](C(C)(C)c2ccnc(Cl)c2)C[C@]2(CCCC(=O)N2)C1 ZINC001164976857 722088813 /nfs/dbraw/zinc/08/88/13/722088813.db2.gz TYQSYZUUXRYYIH-NRFANRHFSA-N 1 2 406.958 2.809 20 0 HFADLO CCN(CC)c1cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc[nH+]1 ZINC001164987218 722184197 /nfs/dbraw/zinc/18/41/97/722184197.db2.gz HKJOPDCMJRTTEC-RBUKOAKNSA-N 1 2 416.595 2.958 20 0 HFADLO CCN(CC)c1cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)[nH+]cn1 ZINC001164987218 722184198 /nfs/dbraw/zinc/18/41/98/722184198.db2.gz HKJOPDCMJRTTEC-RBUKOAKNSA-N 1 2 416.595 2.958 20 0 HFADLO CCN(CC)c1cc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc[nH+]1 ZINC001164987217 722184213 /nfs/dbraw/zinc/18/42/13/722184213.db2.gz HKJOPDCMJRTTEC-OALUTQOASA-N 1 2 416.595 2.958 20 0 HFADLO CCN(CC)c1cc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)[nH+]cn1 ZINC001164987217 722184214 /nfs/dbraw/zinc/18/42/14/722184214.db2.gz HKJOPDCMJRTTEC-OALUTQOASA-N 1 2 416.595 2.958 20 0 HFADLO C[C@]1(C2CCCCC2)NC(=O)N(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)C1=O ZINC000790464902 1078044459 /nfs/dbraw/zinc/04/44/59/1078044459.db2.gz DPJARWHSEVMGSO-OAQYLSRUSA-N 1 2 404.486 2.912 20 0 HFADLO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(C[NH+]1CCC(Oc3ccc(F)nc3)CC1)C2=O ZINC000790466165 1078044535 /nfs/dbraw/zinc/04/45/35/1078044535.db2.gz RSLPYSIZQCYEIW-HUUCEWRRSA-N 1 2 404.486 2.768 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)c1cccc(Cl)c1 ZINC001170138774 1078048321 /nfs/dbraw/zinc/04/83/21/1078048321.db2.gz FDWFNISYKYBBQA-DLBZAZTESA-N 1 2 419.913 2.802 20 0 HFADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)Nc2cccc(Cl)n2)c2ccc(Cl)cc2)C1 ZINC000793016152 1078050109 /nfs/dbraw/zinc/05/01/09/1078050109.db2.gz UKCQUQJBFMMWSZ-YOEHRIQHSA-N 1 2 423.300 2.515 20 0 HFADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)Nc2cccc(Cl)n2)c2ccc(Cl)cc2)C1 ZINC000793016152 1078050118 /nfs/dbraw/zinc/05/01/18/1078050118.db2.gz UKCQUQJBFMMWSZ-YOEHRIQHSA-N 1 2 423.300 2.515 20 0 HFADLO O=C(c1cnc(Br)c(Cl)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000790546011 1078060312 /nfs/dbraw/zinc/06/03/12/1078060312.db2.gz YXVHPIWDQPBMIU-CYBMUJFWSA-N 1 2 402.720 2.824 20 0 HFADLO C[C@@]1(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793121097 1078070366 /nfs/dbraw/zinc/07/03/66/1078070366.db2.gz LLBYJRHXWBTGSZ-WMZHIEFXSA-N 1 2 423.517 2.761 20 0 HFADLO C[C@@H](CNC(=O)c1nc(Br)ccc1Br)Cn1cc[nH+]c1 ZINC000790663078 1078096451 /nfs/dbraw/zinc/09/64/51/1078096451.db2.gz ZKJBTGHCOOCMPJ-VIFPVBQESA-N 1 2 402.090 2.869 20 0 HFADLO CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCCc1c[nH+]cn1C ZINC000793256983 1078111745 /nfs/dbraw/zinc/11/17/45/1078111745.db2.gz RKFUHCPOHXHMDX-HXUWFJFHSA-N 1 2 415.515 2.662 20 0 HFADLO CC(C)Oc1ncccc1C(=O)OCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000793277159 1078117400 /nfs/dbraw/zinc/11/74/00/1078117400.db2.gz AONDHWVBFVMLIX-UHFFFAOYSA-N 1 2 407.511 2.968 20 0 HFADLO CC(C)Oc1ncccc1C(=O)OCC[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000793277159 1078117404 /nfs/dbraw/zinc/11/74/04/1078117404.db2.gz AONDHWVBFVMLIX-UHFFFAOYSA-N 1 2 407.511 2.968 20 0 HFADLO COCC1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793306225 1078123869 /nfs/dbraw/zinc/12/38/69/1078123869.db2.gz DMHHUYXCQGAMFG-UHFFFAOYSA-N 1 2 406.527 2.710 20 0 HFADLO CN(C[C@@H]1C[C@H](F)CN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)OC(C)(C)C ZINC000790779801 1078132270 /nfs/dbraw/zinc/13/22/70/1078132270.db2.gz AGEPBNLWBHPSRE-BBWFWOEESA-N 1 2 421.517 2.649 20 0 HFADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(F)(F)C2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000790834180 1078160930 /nfs/dbraw/zinc/16/09/30/1078160930.db2.gz MMFWNTLCHFVHDB-IRXDYDNUSA-N 1 2 402.869 2.890 20 0 HFADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(F)(F)C2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000790834180 1078160933 /nfs/dbraw/zinc/16/09/33/1078160933.db2.gz MMFWNTLCHFVHDB-IRXDYDNUSA-N 1 2 402.869 2.890 20 0 HFADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H](F)CC1CCCCC1 ZINC000793497753 1078203078 /nfs/dbraw/zinc/20/30/78/1078203078.db2.gz KOFOSGWBRBVUPJ-MOPGFXCFSA-N 1 2 419.545 2.707 20 0 HFADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H](F)CC1CCCCC1 ZINC000793497753 1078203080 /nfs/dbraw/zinc/20/30/80/1078203080.db2.gz KOFOSGWBRBVUPJ-MOPGFXCFSA-N 1 2 419.545 2.707 20 0 HFADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@H+](C)Cc3cccc(C)c3C)C2=O)cc1 ZINC000793542741 1078207282 /nfs/dbraw/zinc/20/72/82/1078207282.db2.gz KQDGOWLHFWLCEB-UHFFFAOYSA-N 1 2 409.486 2.735 20 0 HFADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@@H+](C)Cc3cccc(C)c3C)C2=O)cc1 ZINC000793542741 1078207285 /nfs/dbraw/zinc/20/72/85/1078207285.db2.gz KQDGOWLHFWLCEB-UHFFFAOYSA-N 1 2 409.486 2.735 20 0 HFADLO COCC1(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793652544 1078226246 /nfs/dbraw/zinc/22/62/46/1078226246.db2.gz UCAMNJKTCUHLMR-QZTJIDSGSA-N 1 2 420.554 2.956 20 0 HFADLO CN(CCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)C(=O)OCc1ccccc1 ZINC000793611766 1078227953 /nfs/dbraw/zinc/22/79/53/1078227953.db2.gz CFWIUQDLRYZBAC-UHFFFAOYSA-N 1 2 411.502 2.695 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)NCc2ccn3cc[nH+]c3c2)cs1 ZINC000793670540 1078247415 /nfs/dbraw/zinc/24/74/15/1078247415.db2.gz WIUFEXKXWRRAEN-UHFFFAOYSA-N 1 2 401.492 2.788 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000793673420 1078249070 /nfs/dbraw/zinc/24/90/70/1078249070.db2.gz KTSSCPDMXKPJIL-UGSOOPFHSA-N 1 2 405.401 2.567 20 0 HFADLO Cc1ccc(N2CCCN(C(=O)C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)cc1 ZINC000793715938 1078263238 /nfs/dbraw/zinc/26/32/38/1078263238.db2.gz AZSVKQOSVMQXIF-UHFFFAOYSA-N 1 2 417.513 2.536 20 0 HFADLO CC(C)C1(C(C)C)NC(=O)N(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793724492 1078266382 /nfs/dbraw/zinc/26/63/82/1078266382.db2.gz UEQBAMZXLSYJQU-SJORKVTESA-N 1 2 422.570 2.878 20 0 HFADLO CC(C)C1(C(C)C)NC(=O)N(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793724492 1078266386 /nfs/dbraw/zinc/26/63/86/1078266386.db2.gz UEQBAMZXLSYJQU-SJORKVTESA-N 1 2 422.570 2.878 20 0 HFADLO CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000793737343 1078285698 /nfs/dbraw/zinc/28/56/98/1078285698.db2.gz ZNSXASSRGNXIGF-QRQLOZEOSA-N 1 2 409.571 2.782 20 0 HFADLO CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000793737343 1078285703 /nfs/dbraw/zinc/28/57/03/1078285703.db2.gz ZNSXASSRGNXIGF-QRQLOZEOSA-N 1 2 409.571 2.782 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCCc2ccccc2C(F)(F)F)c1C ZINC000793789336 1078296795 /nfs/dbraw/zinc/29/67/95/1078296795.db2.gz JNMSSDCPIOCBBJ-UHFFFAOYSA-N 1 2 409.408 2.701 20 0 HFADLO C[C@H](Cc1ccsc1)NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000793785564 1078294036 /nfs/dbraw/zinc/29/40/36/1078294036.db2.gz AIPQPRQVPBVPLC-MRXNPFEDSA-N 1 2 414.575 2.647 20 0 HFADLO CN(C)c1cccc([C@H]2CCCN2C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000793870199 1078329014 /nfs/dbraw/zinc/32/90/14/1078329014.db2.gz XXKWPHMDOLQMEP-JOCHJYFZSA-N 1 2 406.530 2.548 20 0 HFADLO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)s1 ZINC000793855137 1078324659 /nfs/dbraw/zinc/32/46/59/1078324659.db2.gz XXJPDERSTQMOBU-INIZCTEOSA-N 1 2 415.563 2.804 20 0 HFADLO C[C@H](SCc1cnn(-c2ccccc2)n1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000793963604 1078348061 /nfs/dbraw/zinc/34/80/61/1078348061.db2.gz AXWUIVUATNHIAY-KRWDZBQOSA-N 1 2 408.531 2.633 20 0 HFADLO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCn2c(COc3ccccn3)nnc2C1 ZINC001170442369 1078367284 /nfs/dbraw/zinc/36/72/84/1078367284.db2.gz LOYNJKGMKSRIFS-QGZVFWFLSA-N 1 2 407.474 2.818 20 0 HFADLO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCn2c(COc3ccccn3)nnc2C1 ZINC001170442369 1078367287 /nfs/dbraw/zinc/36/72/87/1078367287.db2.gz LOYNJKGMKSRIFS-QGZVFWFLSA-N 1 2 407.474 2.818 20 0 HFADLO Brc1cccc(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000794255978 1078392664 /nfs/dbraw/zinc/39/26/64/1078392664.db2.gz VJQPLBBIKFTCBT-UHFFFAOYSA-N 1 2 404.308 2.933 20 0 HFADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000794208609 1078393670 /nfs/dbraw/zinc/39/36/70/1078393670.db2.gz VCHWATSWIVUAKC-SFHVURJKSA-N 1 2 406.421 2.583 20 0 HFADLO O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cc(Br)cnc2Br)CC1 ZINC000804429058 1078474525 /nfs/dbraw/zinc/47/45/25/1078474525.db2.gz CBSWHPVHXLXEPH-DGCLKSJQSA-N 1 2 405.134 2.642 20 0 HFADLO CCNc1nc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000804431683 1078477173 /nfs/dbraw/zinc/47/71/73/1078477173.db2.gz VHKGPATWGLHZEJ-CQSZACIVSA-N 1 2 407.563 2.629 20 0 HFADLO CCOC1CC(CNc2cc(C(F)(F)F)c(C(=O)OC)cn2)([NH+]2CCOCC2)C1 ZINC000804660540 1078497180 /nfs/dbraw/zinc/49/71/80/1078497180.db2.gz UNPSSVIWOKUIMO-UHFFFAOYSA-N 1 2 417.428 2.569 20 0 HFADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC001129857249 1078537311 /nfs/dbraw/zinc/53/73/11/1078537311.db2.gz OIWNJZSTINEKOS-UHFFFAOYSA-N 1 2 410.356 2.890 20 0 HFADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc2ncc(Br)cn2n1 ZINC001129588278 1078585409 /nfs/dbraw/zinc/58/54/09/1078585409.db2.gz RZAZWTSIYMMNTK-UHFFFAOYSA-N 1 2 411.263 2.667 20 0 HFADLO CCNc1nc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000804563563 1078599292 /nfs/dbraw/zinc/59/92/92/1078599292.db2.gz SPZPRJQTQISMKZ-KGLIPLIRSA-N 1 2 407.563 2.818 20 0 HFADLO Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804760773 1078613027 /nfs/dbraw/zinc/61/30/27/1078613027.db2.gz ONLSIYPFYIYGFR-MOPGFXCFSA-N 1 2 419.570 2.605 20 0 HFADLO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccnc1 ZINC000804760792 1078613074 /nfs/dbraw/zinc/61/30/74/1078613074.db2.gz OQWZXGSJCIUVKL-WOJBJXKFSA-N 1 2 416.566 2.975 20 0 HFADLO CC(=O)[C@H](C)CCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804763168 1078616336 /nfs/dbraw/zinc/61/63/36/1078616336.db2.gz MVDVLFJBEAHPAV-MJGOQNOKSA-N 1 2 409.571 2.926 20 0 HFADLO CC[C@](CNC(=O)c1ccccc1C[NH+]1CCOCC1)(C(=O)OC)c1ccccc1 ZINC001129668215 1078627829 /nfs/dbraw/zinc/62/78/29/1078627829.db2.gz LGQZOHYSLOGIOH-XMMPIXPASA-N 1 2 410.514 2.770 20 0 HFADLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001129649169 1078639171 /nfs/dbraw/zinc/63/91/71/1078639171.db2.gz WWPDRFBMEUIDKT-SJLPKXTDSA-N 1 2 408.424 2.707 20 0 HFADLO COCCNC(=O)[C@H](C)OC(=O)c1ccc(NCc2c[nH+]c3ccc(C)cn23)cc1 ZINC000804610178 1078657044 /nfs/dbraw/zinc/65/70/44/1078657044.db2.gz PZKRSORVDMZTDG-INIZCTEOSA-N 1 2 410.474 2.563 20 0 HFADLO Cc1cc(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)nc(-c2ccncc2)n1 ZINC000804833653 1078673975 /nfs/dbraw/zinc/67/39/75/1078673975.db2.gz FNBCYBWQCXTVRF-IBGZPJMESA-N 1 2 424.549 2.978 20 0 HFADLO CCOc1ccc(-c2nc(CC(=O)NC(C)(C)C[NH+]3CCOCC3)cs2)cc1 ZINC001129726391 1078676491 /nfs/dbraw/zinc/67/64/91/1078676491.db2.gz CJAOMCLWONHULY-UHFFFAOYSA-N 1 2 403.548 2.978 20 0 HFADLO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2nn[nH]c2C(=O)NC2CC2)c1 ZINC001129738246 1078686463 /nfs/dbraw/zinc/68/64/63/1078686463.db2.gz BNWSTFKGNONPHM-UHFFFAOYSA-N 1 2 404.474 2.581 20 0 HFADLO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2nn[nH]c2C(=O)NC2CC2)c1 ZINC001129738246 1078686468 /nfs/dbraw/zinc/68/64/68/1078686468.db2.gz BNWSTFKGNONPHM-UHFFFAOYSA-N 1 2 404.474 2.581 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3cccc(F)c3)C2)CC1 ZINC000804908756 1078730486 /nfs/dbraw/zinc/73/04/86/1078730486.db2.gz LGVHVQJIVYPDAV-SFHVURJKSA-N 1 2 406.502 2.662 20 0 HFADLO C[C@@H](Cc1ccco1)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804909877 1078731387 /nfs/dbraw/zinc/73/13/87/1078731387.db2.gz XHYRRVHCWBKDHZ-DLBZAZTESA-N 1 2 406.527 2.547 20 0 HFADLO Cc1ccc(N2CCN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC2=O)cc1 ZINC000804923440 1078754496 /nfs/dbraw/zinc/75/44/96/1078754496.db2.gz VWKLQCXHBSAIBC-UHFFFAOYSA-N 1 2 407.518 2.939 20 0 HFADLO Cc1ccsc1CNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804991260 1078795691 /nfs/dbraw/zinc/79/56/91/1078795691.db2.gz NKJFTVSJBRIDEM-INIZCTEOSA-N 1 2 408.568 2.893 20 0 HFADLO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000804985766 1078821621 /nfs/dbraw/zinc/82/16/21/1078821621.db2.gz YYTWFBDILYVTPN-QGZVFWFLSA-N 1 2 414.359 2.648 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000804985508 1078822266 /nfs/dbraw/zinc/82/22/66/1078822266.db2.gz UYJCBWMCVQIGHB-AABGKKOBSA-N 1 2 414.550 2.879 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000804985509 1078822335 /nfs/dbraw/zinc/82/23/35/1078822335.db2.gz UYJCBWMCVQIGHB-AQNXPRMDSA-N 1 2 414.550 2.879 20 0 HFADLO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)NCc2[nH+]cc(C)c(OC)c2C)s1 ZINC000805028627 1078840823 /nfs/dbraw/zinc/84/08/23/1078840823.db2.gz AMSKCCIFZBUWJW-WCQYABFASA-N 1 2 420.539 2.583 20 0 HFADLO CC(C)N(CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000805077021 1078907779 /nfs/dbraw/zinc/90/77/79/1078907779.db2.gz GSEHLLZAORMBFR-ROUUACIJSA-N 1 2 412.575 2.527 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000805153454 1078948520 /nfs/dbraw/zinc/94/85/20/1078948520.db2.gz AZVIPMZWEIERHA-YRXWBPOGSA-N 1 2 424.586 2.575 20 0 HFADLO CC(C)CSCCNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805232164 1078974855 /nfs/dbraw/zinc/97/48/55/1078974855.db2.gz OHLOQJXSMIRNRG-KRWDZBQOSA-N 1 2 414.616 2.712 20 0 HFADLO CC(C)[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C(F)(F)F ZINC000805330285 1079021020 /nfs/dbraw/zinc/02/10/20/1079021020.db2.gz KRCXOZKYFWAFFE-GJZGRUSLSA-N 1 2 422.492 2.910 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ccc1F ZINC000747240922 1079034684 /nfs/dbraw/zinc/03/46/84/1079034684.db2.gz NYNYEIPUXJIHET-UHFFFAOYSA-N 1 2 424.469 2.648 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1F ZINC000747240922 1079034689 /nfs/dbraw/zinc/03/46/89/1079034689.db2.gz NYNYEIPUXJIHET-UHFFFAOYSA-N 1 2 424.469 2.648 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000805424385 1079056811 /nfs/dbraw/zinc/05/68/11/1079056811.db2.gz ZEJFYLRAEDEEKL-JKSUJKDBSA-N 1 2 416.513 2.758 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000805473288 1079089456 /nfs/dbraw/zinc/08/94/56/1079089456.db2.gz FMCFVYLRUVEUTC-DYESRHJHSA-N 1 2 412.486 2.857 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000805473288 1079089462 /nfs/dbraw/zinc/08/94/62/1079089462.db2.gz FMCFVYLRUVEUTC-DYESRHJHSA-N 1 2 412.486 2.857 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000805473582 1079091323 /nfs/dbraw/zinc/09/13/23/1079091323.db2.gz HYNUOCHOMPJAKT-BEFAXECRSA-N 1 2 418.490 2.709 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000805473582 1079091329 /nfs/dbraw/zinc/09/13/29/1079091329.db2.gz HYNUOCHOMPJAKT-BEFAXECRSA-N 1 2 418.490 2.709 20 0 HFADLO CC[C@@H](C)C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C(=O)OC ZINC001130360730 1079230432 /nfs/dbraw/zinc/23/04/32/1079230432.db2.gz YBOBKZBXSFGUNQ-CRAIPNDOSA-N 1 2 400.479 2.620 20 0 HFADLO COC(=O)[C@H]1CN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c2ccc(F)cc2O1 ZINC001130372048 1079247032 /nfs/dbraw/zinc/24/70/32/1079247032.db2.gz GKYOSHBAFBHRPI-GOSISDBHSA-N 1 2 419.359 2.729 20 0 HFADLO CC(C)=C[C@H]1[C@@H](C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000805782857 1079251355 /nfs/dbraw/zinc/25/13/55/1079251355.db2.gz OYVAZBUOIRBGBH-UNMCSNQZSA-N 1 2 414.546 2.917 20 0 HFADLO Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c(C)c1 ZINC000805788110 1079254876 /nfs/dbraw/zinc/25/48/76/1079254876.db2.gz HPRMJLGBAUIVCT-MBGYTDRXSA-N 1 2 402.457 2.821 20 0 HFADLO Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c(C)c1 ZINC000805788110 1079254879 /nfs/dbraw/zinc/25/48/79/1079254879.db2.gz HPRMJLGBAUIVCT-MBGYTDRXSA-N 1 2 402.457 2.821 20 0 HFADLO C[C@H]1CC[N@@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788872 1079256633 /nfs/dbraw/zinc/25/66/33/1079256633.db2.gz PKJQSVRNUNXQJK-LAQRGFTBSA-N 1 2 411.468 2.955 20 0 HFADLO C[C@H]1CC[N@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788872 1079256638 /nfs/dbraw/zinc/25/66/38/1079256638.db2.gz PKJQSVRNUNXQJK-LAQRGFTBSA-N 1 2 411.468 2.955 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000805761898 1079264084 /nfs/dbraw/zinc/26/40/84/1079264084.db2.gz KXVPMSVIEVAAHD-MRXNPFEDSA-N 1 2 416.522 2.693 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000805761898 1079264088 /nfs/dbraw/zinc/26/40/88/1079264088.db2.gz KXVPMSVIEVAAHD-MRXNPFEDSA-N 1 2 416.522 2.693 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000805763779 1079265574 /nfs/dbraw/zinc/26/55/74/1079265574.db2.gz XFOVDTLAFKDHNR-KRWDZBQOSA-N 1 2 404.511 2.894 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000805763779 1079265579 /nfs/dbraw/zinc/26/55/79/1079265579.db2.gz XFOVDTLAFKDHNR-KRWDZBQOSA-N 1 2 404.511 2.894 20 0 HFADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000805827734 1079297014 /nfs/dbraw/zinc/29/70/14/1079297014.db2.gz OJHXPBFBHIOSFG-CQSZACIVSA-N 1 2 405.392 2.671 20 0 HFADLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000805827734 1079297017 /nfs/dbraw/zinc/29/70/17/1079297017.db2.gz OJHXPBFBHIOSFG-CQSZACIVSA-N 1 2 405.392 2.671 20 0 HFADLO CCOCC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805830075 1079300250 /nfs/dbraw/zinc/30/02/50/1079300250.db2.gz WUVRHYQOBJSBLD-HFTRVMKXSA-N 1 2 418.456 2.667 20 0 HFADLO CCOCC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805830075 1079300257 /nfs/dbraw/zinc/30/02/57/1079300257.db2.gz WUVRHYQOBJSBLD-HFTRVMKXSA-N 1 2 418.456 2.667 20 0 HFADLO CCc1nc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1-c1ccccc1Cl ZINC001130472234 1079398986 /nfs/dbraw/zinc/39/89/86/1079398986.db2.gz NZGNHZAZBVEDEI-SOUVJXGZSA-N 1 2 405.930 2.711 20 0 HFADLO CCc1nc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1-c1ccccc1Cl ZINC001130472234 1079398990 /nfs/dbraw/zinc/39/89/90/1079398990.db2.gz NZGNHZAZBVEDEI-SOUVJXGZSA-N 1 2 405.930 2.711 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccc4c(c3)CCO4)C2)CC1 ZINC000806196984 1079485015 /nfs/dbraw/zinc/48/50/15/1079485015.db2.gz QTGWSQOUTOAFQK-GOSISDBHSA-N 1 2 416.522 2.780 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000806180696 1079499374 /nfs/dbraw/zinc/49/93/74/1079499374.db2.gz HRYFACYSMOWCKS-GOEBONIOSA-N 1 2 406.914 2.794 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)n[nH]2)C1 ZINC000787310252 1076757710 /nfs/dbraw/zinc/75/77/10/1076757710.db2.gz OOJKTFHORWEQOG-HUUCEWRRSA-N 1 2 414.510 2.877 20 0 HFADLO COc1ccc(C(=O)NC(=O)C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)cc1 ZINC000787339923 1076784024 /nfs/dbraw/zinc/78/40/24/1076784024.db2.gz AJMWGPPFKFBOHT-UHFFFAOYSA-N 1 2 410.392 2.981 20 0 HFADLO COc1ccc(C(=O)NC(=O)C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)cc1 ZINC000787339923 1076784032 /nfs/dbraw/zinc/78/40/32/1076784032.db2.gz AJMWGPPFKFBOHT-UHFFFAOYSA-N 1 2 410.392 2.981 20 0 HFADLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787387426 1076804481 /nfs/dbraw/zinc/80/44/81/1076804481.db2.gz YSTSVQMSFNPXEC-YJBOKZPZSA-N 1 2 405.543 2.546 20 0 HFADLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787387426 1076804487 /nfs/dbraw/zinc/80/44/87/1076804487.db2.gz YSTSVQMSFNPXEC-YJBOKZPZSA-N 1 2 405.543 2.546 20 0 HFADLO Cc1ncc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c(C)n1 ZINC000787532131 1076850516 /nfs/dbraw/zinc/85/05/16/1076850516.db2.gz FSIPTRUXIYZPMV-UHFFFAOYSA-N 1 2 404.312 2.860 20 0 HFADLO CCc1nnsc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787532321 1076850539 /nfs/dbraw/zinc/85/05/39/1076850539.db2.gz IESKOYPUKZOKOS-UHFFFAOYSA-N 1 2 410.341 2.867 20 0 HFADLO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)nc(C)n1 ZINC000787532083 1076850571 /nfs/dbraw/zinc/85/05/71/1076850571.db2.gz FLPNFHRTVNLORJ-UHFFFAOYSA-N 1 2 404.312 2.860 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3cnc4n3CCCC4)cc2Br)CC1 ZINC000787534661 1076851654 /nfs/dbraw/zinc/85/16/54/1076851654.db2.gz BGOSSQYBAOPSFN-UHFFFAOYSA-N 1 2 418.339 2.986 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCc4n[nH]cc43)cc2Br)CC1 ZINC000787536962 1076852369 /nfs/dbraw/zinc/85/23/69/1076852369.db2.gz TXRGRFQJYWZYCC-CQSZACIVSA-N 1 2 418.339 2.983 20 0 HFADLO COc1ccc(-c2cc3ncn(CC(=O)OCc4cc[nH+]c(N)c4)c(=O)c3s2)cc1 ZINC000787591636 1076862768 /nfs/dbraw/zinc/86/27/68/1076862768.db2.gz MMIOJMQYPWDKNF-UHFFFAOYSA-N 1 2 422.466 2.854 20 0 HFADLO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)O[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787728040 1076932636 /nfs/dbraw/zinc/93/26/36/1076932636.db2.gz FXSBZHBZJVAMQQ-UXHICEINSA-N 1 2 424.488 2.792 20 0 HFADLO C[C@@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc(OC(F)F)c1 ZINC000787865501 1076986316 /nfs/dbraw/zinc/98/63/16/1076986316.db2.gz RRBBFVUPFPYKOJ-HIFRSBDPSA-N 1 2 406.433 2.605 20 0 HFADLO C[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000787933353 1077001958 /nfs/dbraw/zinc/00/19/58/1077001958.db2.gz PDXCSQOYZIBZLR-INIZCTEOSA-N 1 2 403.910 2.715 20 0 HFADLO C[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000787933353 1077001964 /nfs/dbraw/zinc/00/19/64/1077001964.db2.gz PDXCSQOYZIBZLR-INIZCTEOSA-N 1 2 403.910 2.715 20 0 HFADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788002709 1077024638 /nfs/dbraw/zinc/02/46/38/1077024638.db2.gz HRJHVPDXJYTFRM-ZDUSSCGKSA-N 1 2 413.465 2.643 20 0 HFADLO Cc1ccc(NC(=O)C[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)cc1Cl ZINC000788002414 1077024960 /nfs/dbraw/zinc/02/49/60/1077024960.db2.gz CBIVROFIZYQFHW-UHFFFAOYSA-N 1 2 411.930 2.939 20 0 HFADLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCSC[C@H]1c1nn[nH]n1 ZINC000788146270 1077064821 /nfs/dbraw/zinc/06/48/21/1077064821.db2.gz AKIFHHANBVLBCD-IBGZPJMESA-N 1 2 408.531 2.519 20 0 HFADLO COc1cc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cnc1Br ZINC000788174747 1077066941 /nfs/dbraw/zinc/06/69/41/1077066941.db2.gz KOBJEBLTBAGXDS-UHFFFAOYSA-N 1 2 419.323 2.852 20 0 HFADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CC2CCC3(CC2)OCCO3)CC1 ZINC000788152126 1077069642 /nfs/dbraw/zinc/06/96/42/1077069642.db2.gz RZADLRKQPVAUML-UHFFFAOYSA-N 1 2 402.535 2.971 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C ZINC000788153747 1077069786 /nfs/dbraw/zinc/06/97/86/1077069786.db2.gz HYMKLDQKIIATDD-QGZVFWFLSA-N 1 2 424.505 2.540 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000788153326 1077069926 /nfs/dbraw/zinc/06/99/26/1077069926.db2.gz GIJVGHMLBBVIBP-VSKRKVRLSA-N 1 2 419.481 2.924 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2cc(Br)cc(C)c2o1 ZINC000788157353 1077071147 /nfs/dbraw/zinc/07/11/47/1077071147.db2.gz WBLDRNLXTOUTMK-ZDUSSCGKSA-N 1 2 406.236 2.672 20 0 HFADLO O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788239199 1077084609 /nfs/dbraw/zinc/08/46/09/1077084609.db2.gz GIIRVRFGCGPUSR-KRWDZBQOSA-N 1 2 405.506 2.649 20 0 HFADLO O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788239199 1077084614 /nfs/dbraw/zinc/08/46/14/1077084614.db2.gz GIIRVRFGCGPUSR-KRWDZBQOSA-N 1 2 405.506 2.649 20 0 HFADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CC3CCC4(CC3)OCCO4)c2)CC1 ZINC000788242100 1077085433 /nfs/dbraw/zinc/08/54/33/1077085433.db2.gz DSHCCFONGXIJRT-UHFFFAOYSA-N 1 2 415.534 2.613 20 0 HFADLO COc1ccccc1C(=O)NCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788244254 1077085590 /nfs/dbraw/zinc/08/55/90/1077085590.db2.gz OJVQRVPZXWAHQR-INIZCTEOSA-N 1 2 410.518 2.870 20 0 HFADLO COc1ccccc1C(=O)NCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788244254 1077085596 /nfs/dbraw/zinc/08/55/96/1077085596.db2.gz OJVQRVPZXWAHQR-INIZCTEOSA-N 1 2 410.518 2.870 20 0 HFADLO Cn1ccc2cccc(NC(=O)N3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c21 ZINC000788311685 1077115863 /nfs/dbraw/zinc/11/58/63/1077115863.db2.gz XYJZASLUGVSPOZ-MRXNPFEDSA-N 1 2 401.511 2.851 20 0 HFADLO Cn1ccc2cccc(NC(=O)N3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c21 ZINC000788311685 1077115866 /nfs/dbraw/zinc/11/58/66/1077115866.db2.gz XYJZASLUGVSPOZ-MRXNPFEDSA-N 1 2 401.511 2.851 20 0 HFADLO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788474627 1077171842 /nfs/dbraw/zinc/17/18/42/1077171842.db2.gz ONYFGTBMLMXZSN-KRWDZBQOSA-N 1 2 407.312 2.865 20 0 HFADLO CC(C)(C)OC(=O)N1CCN(CCN2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000788484516 1077176827 /nfs/dbraw/zinc/17/68/27/1077176827.db2.gz ZCLJCEKPMGOSTA-YFHOEESVSA-N 1 2 414.594 2.870 20 0 HFADLO O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788587954 1077213564 /nfs/dbraw/zinc/21/35/64/1077213564.db2.gz DFEROOSTKVLCGQ-QGZVFWFLSA-N 1 2 412.471 2.962 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCOc1cccc(Cl)c1Cl ZINC000788602197 1077219847 /nfs/dbraw/zinc/21/98/47/1077219847.db2.gz AIWDWQWFZISSKG-CYBMUJFWSA-N 1 2 400.262 2.707 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1Cl ZINC000788650529 1077226222 /nfs/dbraw/zinc/22/62/22/1077226222.db2.gz TVKYBGORZDBSKB-JQWIXIFHSA-N 1 2 417.940 2.965 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(C)c1Cl ZINC000788680362 1077248037 /nfs/dbraw/zinc/24/80/37/1077248037.db2.gz OOAXFBIXVUQDHV-NSHDSACASA-N 1 2 417.940 2.798 20 0 HFADLO CN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788757265 1077278067 /nfs/dbraw/zinc/27/80/67/1077278067.db2.gz ZUSHPBISFGEBHA-NRFANRHFSA-N 1 2 403.486 2.815 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CN3CCc4ccccc4C3=O)CC2)cc1 ZINC000788764514 1077280308 /nfs/dbraw/zinc/28/03/08/1077280308.db2.gz UHZBHAQWFYCKFG-UHFFFAOYSA-N 1 2 406.530 2.536 20 0 HFADLO CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)c2)CC1 ZINC000788800107 1077292088 /nfs/dbraw/zinc/29/20/88/1077292088.db2.gz IVGDUFQTNBFAJX-IBGZPJMESA-N 1 2 414.550 2.630 20 0 HFADLO C[N@H+](CN1C(=O)C[C@H](Cc2ccccc2)C1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000788773056 1077295976 /nfs/dbraw/zinc/29/59/76/1077295976.db2.gz WNZYZEZTWCOJIH-ROUUACIJSA-N 1 2 401.507 2.503 20 0 HFADLO C[N@@H+](CN1C(=O)C[C@H](Cc2ccccc2)C1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000788773056 1077295981 /nfs/dbraw/zinc/29/59/81/1077295981.db2.gz WNZYZEZTWCOJIH-ROUUACIJSA-N 1 2 401.507 2.503 20 0 HFADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000788846081 1077318151 /nfs/dbraw/zinc/31/81/51/1077318151.db2.gz FRFVFVDXZHKSKS-UHFFFAOYSA-N 1 2 416.525 2.904 20 0 HFADLO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000788845763 1077318517 /nfs/dbraw/zinc/31/85/17/1077318517.db2.gz DMHMABMYHBROCG-CJNGLKHVSA-N 1 2 404.312 2.776 20 0 HFADLO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000788845763 1077318521 /nfs/dbraw/zinc/31/85/21/1077318521.db2.gz DMHMABMYHBROCG-CJNGLKHVSA-N 1 2 404.312 2.776 20 0 HFADLO COc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1-n1cnnn1 ZINC000791271409 1077355259 /nfs/dbraw/zinc/35/52/59/1077355259.db2.gz IEBWEPDVLPNNCT-MRXNPFEDSA-N 1 2 421.505 2.729 20 0 HFADLO COc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1-n1cnnn1 ZINC000791271409 1077355265 /nfs/dbraw/zinc/35/52/65/1077355265.db2.gz IEBWEPDVLPNNCT-MRXNPFEDSA-N 1 2 421.505 2.729 20 0 HFADLO C[C@@H](NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000788973745 1077366958 /nfs/dbraw/zinc/36/69/58/1077366958.db2.gz GQTOCJUTUNSJEF-CVEARBPZSA-N 1 2 410.946 2.645 20 0 HFADLO O=C(Cc1cnc2ccccc2c1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000788990754 1077374928 /nfs/dbraw/zinc/37/49/28/1077374928.db2.gz SZZQWOKXJWDAMN-UHFFFAOYSA-N 1 2 409.511 2.726 20 0 HFADLO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000789182451 1077427692 /nfs/dbraw/zinc/42/76/92/1077427692.db2.gz SJWOZYKZJXUGQU-GOSISDBHSA-N 1 2 401.507 2.714 20 0 HFADLO O=C(COC(=O)[C@@H]1CCCc2c(O)cccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000789247807 1077471607 /nfs/dbraw/zinc/47/16/07/1077471607.db2.gz HWQSCBFXPDCFNT-LJQANCHMSA-N 1 2 414.527 2.761 20 0 HFADLO O=C(COC(=O)[C@@H]1CCCc2c(O)cccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000789252267 1077474245 /nfs/dbraw/zinc/47/42/45/1077474245.db2.gz NQNWLVLUSPHLET-OAQYLSRUSA-N 1 2 424.497 2.826 20 0 HFADLO C/C=C(\CC)C(=O)OCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000789228324 1077484445 /nfs/dbraw/zinc/48/44/45/1077484445.db2.gz NHUSACOAKCSOEW-UBKPWBPPSA-N 1 2 404.507 2.556 20 0 HFADLO CC[C@H](C)n1ncc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1C ZINC000791673075 1077524268 /nfs/dbraw/zinc/52/42/68/1077524268.db2.gz SYSJSTCJDAAKFS-HNNXBMFYSA-N 1 2 404.536 2.725 20 0 HFADLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789364395 1077539448 /nfs/dbraw/zinc/53/94/48/1077539448.db2.gz IWDMWDXCPYATBZ-VGSWGCGISA-N 1 2 423.513 2.953 20 0 HFADLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789364395 1077539455 /nfs/dbraw/zinc/53/94/55/1077539455.db2.gz IWDMWDXCPYATBZ-VGSWGCGISA-N 1 2 423.513 2.953 20 0 HFADLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789373892 1077544166 /nfs/dbraw/zinc/54/41/66/1077544166.db2.gz HPYMYEHZZODTIB-LPHOPBHVSA-N 1 2 407.580 2.811 20 0 HFADLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789373892 1077544171 /nfs/dbraw/zinc/54/41/71/1077544171.db2.gz HPYMYEHZZODTIB-LPHOPBHVSA-N 1 2 407.580 2.811 20 0 HFADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789375880 1077545029 /nfs/dbraw/zinc/54/50/29/1077545029.db2.gz XTGZQCNZHCLRBQ-SFHVURJKSA-N 1 2 422.982 2.893 20 0 HFADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789375880 1077545037 /nfs/dbraw/zinc/54/50/37/1077545037.db2.gz XTGZQCNZHCLRBQ-SFHVURJKSA-N 1 2 422.982 2.893 20 0 HFADLO Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000789378114 1077546065 /nfs/dbraw/zinc/54/60/65/1077546065.db2.gz DSBRCORFBGAVOH-UHFFFAOYSA-N 1 2 404.873 2.856 20 0 HFADLO Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000789378114 1077546075 /nfs/dbraw/zinc/54/60/75/1077546075.db2.gz DSBRCORFBGAVOH-UHFFFAOYSA-N 1 2 404.873 2.856 20 0 HFADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(-c3ccccc3)cc2C)CC1 ZINC000746809877 1077551133 /nfs/dbraw/zinc/55/11/33/1077551133.db2.gz GGTHYJDDQCXWSK-GOSISDBHSA-N 1 2 423.513 2.696 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)C1=O ZINC000789440026 1077572896 /nfs/dbraw/zinc/57/28/96/1077572896.db2.gz FRRVRRAWSAIOIS-VGSWGCGISA-N 1 2 407.555 2.598 20 0 HFADLO CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O ZINC000789442471 1077574967 /nfs/dbraw/zinc/57/49/67/1077574967.db2.gz MGXRABXMOICKAJ-OAQYLSRUSA-N 1 2 406.477 2.935 20 0 HFADLO CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O ZINC000789442471 1077574973 /nfs/dbraw/zinc/57/49/73/1077574973.db2.gz MGXRABXMOICKAJ-OAQYLSRUSA-N 1 2 406.477 2.935 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)C1=O ZINC000789443843 1077575586 /nfs/dbraw/zinc/57/55/86/1077575586.db2.gz OZIODAACGMRLMR-DENIHFKCSA-N 1 2 407.555 2.741 20 0 HFADLO Cc1c(Cl)cccc1N1CCC[N@@H+](CN2C(=O)C(=O)N(CC(C)C)C2=O)CC1 ZINC000789452963 1077579760 /nfs/dbraw/zinc/57/97/60/1077579760.db2.gz HKYCBEYAKZGVLJ-UHFFFAOYSA-N 1 2 406.914 2.565 20 0 HFADLO Cc1c(Cl)cccc1N1CCC[N@H+](CN2C(=O)C(=O)N(CC(C)C)C2=O)CC1 ZINC000789452963 1077579767 /nfs/dbraw/zinc/57/97/67/1077579767.db2.gz HKYCBEYAKZGVLJ-UHFFFAOYSA-N 1 2 406.914 2.565 20 0 HFADLO CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)s1 ZINC001170111502 1077668214 /nfs/dbraw/zinc/66/82/14/1077668214.db2.gz GRQPDMIRCCGPCX-AWEZNQCLSA-N 1 2 405.524 2.640 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)[nH+]1 ZINC000789600229 1077703990 /nfs/dbraw/zinc/70/39/90/1077703990.db2.gz WUCIKZBTBJFPBY-UHFFFAOYSA-N 1 2 418.885 2.842 20 0 HFADLO C[C@H](NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000792143062 1077721386 /nfs/dbraw/zinc/72/13/86/1077721386.db2.gz FEQKWYBNAAGECW-BXWFABGCSA-N 1 2 423.529 2.659 20 0 HFADLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000792229503 1077753659 /nfs/dbraw/zinc/75/36/59/1077753659.db2.gz METRGGOAJCHLSS-XLIONFOSSA-N 1 2 400.519 2.646 20 0 HFADLO CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000792229498 1077753710 /nfs/dbraw/zinc/75/37/10/1077753710.db2.gz METRGGOAJCHLSS-PXNSSMCTSA-N 1 2 400.519 2.646 20 0 HFADLO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789767918 1077769786 /nfs/dbraw/zinc/76/97/86/1077769786.db2.gz FHBKOQNZLUVLQM-OAQYLSRUSA-N 1 2 415.925 2.997 20 0 HFADLO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789767918 1077769793 /nfs/dbraw/zinc/76/97/93/1077769793.db2.gz FHBKOQNZLUVLQM-OAQYLSRUSA-N 1 2 415.925 2.997 20 0 HFADLO C[N@@H+]1CCN(C(=O)c2ccn(C3CCCCC3)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000792217136 1077770907 /nfs/dbraw/zinc/77/09/07/1077770907.db2.gz DWQGSKNVZCYJBL-QGZVFWFLSA-N 1 2 405.543 2.669 20 0 HFADLO C[N@H+]1CCN(C(=O)c2ccn(C3CCCCC3)n2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000792217136 1077770917 /nfs/dbraw/zinc/77/09/17/1077770917.db2.gz DWQGSKNVZCYJBL-QGZVFWFLSA-N 1 2 405.543 2.669 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000789967035 1077874625 /nfs/dbraw/zinc/87/46/25/1077874625.db2.gz TZEIESSUQVWPNI-RTBURBONSA-N 1 2 419.485 2.708 20 0 HFADLO C[C@H](CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)NC(=O)OC(C)(C)C ZINC000792504981 1077893781 /nfs/dbraw/zinc/89/37/81/1077893781.db2.gz CJBMBKLTKMDCJR-OAHLLOKOSA-N 1 2 415.494 2.555 20 0 HFADLO CN(C[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1)S(C)(=O)=O ZINC001170184211 1077903398 /nfs/dbraw/zinc/90/33/98/1077903398.db2.gz MOYMDJPPQFOYCZ-INIZCTEOSA-N 1 2 414.531 2.993 20 0 HFADLO CN(C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1)S(C)(=O)=O ZINC001170184211 1077903400 /nfs/dbraw/zinc/90/34/00/1077903400.db2.gz MOYMDJPPQFOYCZ-INIZCTEOSA-N 1 2 414.531 2.993 20 0 HFADLO C[N@@H+]1CCc2ncnc(NC[C@@H]3C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O3)c2C1 ZINC001170207750 1077906733 /nfs/dbraw/zinc/90/67/33/1077906733.db2.gz GZRHKHHHYIDPIU-CABCVRRESA-N 1 2 406.527 2.518 20 0 HFADLO C[N@H+]1CCc2ncnc(NC[C@@H]3C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O3)c2C1 ZINC001170207750 1077906734 /nfs/dbraw/zinc/90/67/34/1077906734.db2.gz GZRHKHHHYIDPIU-CABCVRRESA-N 1 2 406.527 2.518 20 0 HFADLO C[C@@H](c1ccsc1)N1CC[NH+](CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000790081737 1077925486 /nfs/dbraw/zinc/92/54/86/1077925486.db2.gz KTIYWMHDSZPJCY-SFHVURJKSA-N 1 2 408.612 2.979 20 0 HFADLO C[C@@H](c1ccsc1)[NH+]1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000790081737 1077925491 /nfs/dbraw/zinc/92/54/91/1077925491.db2.gz KTIYWMHDSZPJCY-SFHVURJKSA-N 1 2 408.612 2.979 20 0 HFADLO Cc1nsc(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)n1 ZINC000790053414 1077932841 /nfs/dbraw/zinc/93/28/41/1077932841.db2.gz HYDPAPKJDQGQFC-UHFFFAOYSA-N 1 2 412.494 2.637 20 0 HFADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001170281356 1077936886 /nfs/dbraw/zinc/93/68/86/1077936886.db2.gz ZTHRRDOHALFYBB-STQMWFEESA-N 1 2 403.832 2.930 20 0 HFADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001170281356 1077936888 /nfs/dbraw/zinc/93/68/88/1077936888.db2.gz ZTHRRDOHALFYBB-STQMWFEESA-N 1 2 403.832 2.930 20 0 HFADLO CCS(=O)(=O)c1ccc(CNc2ccc(I)c(N)[nH+]2)cc1 ZINC001170324495 1077943564 /nfs/dbraw/zinc/94/35/64/1077943564.db2.gz WLNOLKHIAMMLNS-UHFFFAOYSA-N 1 2 417.272 2.674 20 0 HFADLO CN(C)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000790130116 1077952249 /nfs/dbraw/zinc/95/22/49/1077952249.db2.gz SSMJYAOWOARLSQ-UHFFFAOYSA-N 1 2 416.472 2.817 20 0 HFADLO CC(C)(C)OC(=O)NC1(CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CCC1 ZINC000746883209 1077956108 /nfs/dbraw/zinc/95/61/08/1077956108.db2.gz ACZGJRHFQZNWKF-UHFFFAOYSA-N 1 2 403.523 2.874 20 0 HFADLO Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000790158668 1077961748 /nfs/dbraw/zinc/96/17/48/1077961748.db2.gz QNAYKHAWSNSKLC-UHFFFAOYSA-N 1 2 408.433 2.885 20 0 HFADLO Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000790158668 1077961750 /nfs/dbraw/zinc/96/17/50/1077961750.db2.gz QNAYKHAWSNSKLC-UHFFFAOYSA-N 1 2 408.433 2.885 20 0 HFADLO CCCOCc1ccccc1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000790247134 1077976402 /nfs/dbraw/zinc/97/64/02/1077976402.db2.gz OBTFYKIEJZAIRC-UHFFFAOYSA-N 1 2 406.486 2.732 20 0 HFADLO C[C@H]1CSCC[N@H+](Cn2nc(N3CCOCC3)n(-c3ccccc3)c2=S)C1 ZINC000792725960 1077978600 /nfs/dbraw/zinc/97/86/00/1077978600.db2.gz MSOGUTGOZXRBRS-MRXNPFEDSA-N 1 2 405.593 2.882 20 0 HFADLO C[C@H]1CSCC[N@@H+](Cn2nc(N3CCOCC3)n(-c3ccccc3)c2=S)C1 ZINC000792725960 1077978602 /nfs/dbraw/zinc/97/86/02/1077978602.db2.gz MSOGUTGOZXRBRS-MRXNPFEDSA-N 1 2 405.593 2.882 20 0 HFADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790318679 1077995972 /nfs/dbraw/zinc/99/59/72/1077995972.db2.gz NZWABAKZDBMWFL-CDNPAEQRSA-N 1 2 414.594 2.702 20 0 HFADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790318679 1077995973 /nfs/dbraw/zinc/99/59/73/1077995973.db2.gz NZWABAKZDBMWFL-CDNPAEQRSA-N 1 2 414.594 2.702 20 0 HFADLO C[C@]12CCN(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C[C@H]1C2(Cl)Cl ZINC000792897433 1078018885 /nfs/dbraw/zinc/01/88/85/1078018885.db2.gz AXKGFNJJKFUVCZ-MJGOQNOKSA-N 1 2 412.361 2.973 20 0 HFADLO C[N@@H+]1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C[C@@H]1Cc1ccccc1 ZINC000790462489 1078028129 /nfs/dbraw/zinc/02/81/29/1078028129.db2.gz YYVLYWPJMFBQJN-INIZCTEOSA-N 1 2 416.934 2.831 20 0 HFADLO C[N@H+]1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C[C@@H]1Cc1ccccc1 ZINC000790462489 1078028132 /nfs/dbraw/zinc/02/81/32/1078028132.db2.gz YYVLYWPJMFBQJN-INIZCTEOSA-N 1 2 416.934 2.831 20 0 HFADLO CCOC(=O)c1cc(NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)c(F)cc1C ZINC000792972563 1078029771 /nfs/dbraw/zinc/02/97/71/1078029771.db2.gz FICYZCYBBBWPPO-UHFFFAOYSA-N 1 2 417.437 2.586 20 0 HFADLO COc1ccc2c(c1)C(=O)N(CN1CC[NH+](Cc3c(C)nc4cc(C)ccn43)CC1)C2 ZINC000790440129 1078031514 /nfs/dbraw/zinc/03/15/14/1078031514.db2.gz WBDFPPUPPAOGBZ-UHFFFAOYSA-N 1 2 419.529 2.691 20 0 HFADLO CCOC(=O)c1cc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(F)cc1C ZINC000792957229 1078035307 /nfs/dbraw/zinc/03/53/07/1078035307.db2.gz QWLOWSNUXMBNOX-KRWDZBQOSA-N 1 2 418.469 2.677 20 0 HFADLO Cn1c2ccncc2n(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c1=O ZINC000790453465 1078036402 /nfs/dbraw/zinc/03/64/02/1078036402.db2.gz WVDRIGOBCYDEAI-UHFFFAOYSA-N 1 2 415.538 2.806 20 0 HFADLO COCC[N@H+](Cn1nc2n(c1=S)c1ccccc1c(=O)n2C)[C@@H]1CC[C@@H](C)C1 ZINC000790476725 1078040362 /nfs/dbraw/zinc/04/03/62/1078040362.db2.gz CONJHJOFWASGGO-HUUCEWRRSA-N 1 2 401.536 2.812 20 0 HFADLO COCC[N@@H+](Cn1nc2n(c1=S)c1ccccc1c(=O)n2C)[C@@H]1CC[C@@H](C)C1 ZINC000790476725 1078040368 /nfs/dbraw/zinc/04/03/68/1078040368.db2.gz CONJHJOFWASGGO-HUUCEWRRSA-N 1 2 401.536 2.812 20 0 HFADLO C[C@]1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCN(C(=O)OCc2ccccc2)C1 ZINC000792994451 1078043167 /nfs/dbraw/zinc/04/31/67/1078043167.db2.gz FJFDXMQSRJGNDS-QHCPKHFHSA-N 1 2 410.518 2.927 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCCc3ccccc3)CC2)C1 ZINC000806273364 1079536589 /nfs/dbraw/zinc/53/65/89/1079536589.db2.gz WBQQSXITNMEKNU-IBGZPJMESA-N 1 2 402.539 2.566 20 0 HFADLO Cc1ccccc1CCNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806313235 1079565836 /nfs/dbraw/zinc/56/58/36/1079565836.db2.gz KUVCEYBOEMMTHK-HXUWFJFHSA-N 1 2 416.566 2.874 20 0 HFADLO COc1cccc(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000806289002 1079573826 /nfs/dbraw/zinc/57/38/26/1079573826.db2.gz BLOSNSNBUHBFDD-SFHVURJKSA-N 1 2 418.538 2.532 20 0 HFADLO COc1ncc(C)cc1NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806326797 1079599392 /nfs/dbraw/zinc/59/93/92/1079599392.db2.gz VTKRHNCEURLENI-MRXNPFEDSA-N 1 2 419.526 2.558 20 0 HFADLO Cc1ccc(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(Cl)n1 ZINC000806366159 1079652458 /nfs/dbraw/zinc/65/24/58/1079652458.db2.gz LRPAJQQYZKIDIL-UHFFFAOYSA-N 1 2 400.910 2.805 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)N[C@@H]3CCCc4occc43)CC2)C1 ZINC000806427662 1079673049 /nfs/dbraw/zinc/67/30/49/1079673049.db2.gz MUEBTINCJJCUOW-FUHWJXTLSA-N 1 2 418.538 2.994 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)N[C@H]3CCCc4occc43)CC2)C1 ZINC000806427661 1079673107 /nfs/dbraw/zinc/67/31/07/1079673107.db2.gz MUEBTINCJJCUOW-AEFFLSMTSA-N 1 2 418.538 2.994 20 0 HFADLO CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000806427986 1079673292 /nfs/dbraw/zinc/67/32/92/1079673292.db2.gz POOIRUFGXFSPIF-SFHVURJKSA-N 1 2 403.527 2.749 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCCc3ccsc3)CC2)C1 ZINC000806405810 1079694334 /nfs/dbraw/zinc/69/43/34/1079694334.db2.gz RBECWSXYVADHTP-QGZVFWFLSA-N 1 2 408.568 2.627 20 0 HFADLO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000806453243 1079723203 /nfs/dbraw/zinc/72/32/03/1079723203.db2.gz IWBMKYMSAMLDBK-OAHLLOKOSA-N 1 2 402.451 2.657 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCCOC3CCCCC3)C2)CC1 ZINC000806499201 1079749144 /nfs/dbraw/zinc/74/91/44/1079749144.db2.gz DAMJWZHVRVKWGG-GOSISDBHSA-N 1 2 424.586 2.672 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NC[C@@H]3Cc4ccccc43)CC2)C1 ZINC000806506651 1079757763 /nfs/dbraw/zinc/75/77/63/1079757763.db2.gz BYKXEOWAAQGPFB-RBUKOAKNSA-N 1 2 414.550 2.663 20 0 HFADLO C[C@]1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC(c2ccccc2Cl)=NO1 ZINC000806554121 1079817918 /nfs/dbraw/zinc/81/79/18/1079817918.db2.gz KRJXDKRAQZJRBA-UXHICEINSA-N 1 2 423.966 2.547 20 0 HFADLO C[C@@H]1CN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001130668040 1079818622 /nfs/dbraw/zinc/81/86/22/1079818622.db2.gz AYZPXFRTURIARI-RMJJICAUSA-N 1 2 404.576 2.711 20 0 HFADLO C[C@@H]1CN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001130668040 1079818637 /nfs/dbraw/zinc/81/86/37/1079818637.db2.gz AYZPXFRTURIARI-RMJJICAUSA-N 1 2 404.576 2.711 20 0 HFADLO Cc1ccc(CC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c(Cl)n1 ZINC000806611201 1079854749 /nfs/dbraw/zinc/85/47/49/1079854749.db2.gz POCHEBFHPAQDNT-UHFFFAOYSA-N 1 2 403.910 2.613 20 0 HFADLO COCCCOc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1OC ZINC000806623631 1079882593 /nfs/dbraw/zinc/88/25/93/1079882593.db2.gz RJLQSZNSAFYPFZ-QGZVFWFLSA-N 1 2 400.479 2.906 20 0 HFADLO Cc1ccc(CC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c(Cl)n1 ZINC000806668424 1079929165 /nfs/dbraw/zinc/92/91/65/1079929165.db2.gz KNXJBCIGQJMLEP-UHFFFAOYSA-N 1 2 403.910 2.613 20 0 HFADLO C[C@H]([C@H](C)NC(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1)[NH+]1CCOCC1 ZINC000806741462 1079942147 /nfs/dbraw/zinc/94/21/47/1079942147.db2.gz KCYZOXGRTYCJKW-ZCNNSNEGSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806801786 1080018086 /nfs/dbraw/zinc/01/80/86/1080018086.db2.gz CLTLCDLGBRNJCS-SNVBAGLBSA-N 1 2 424.265 2.620 20 0 HFADLO CC[C@@H](NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1nccs1 ZINC000806839470 1080051956 /nfs/dbraw/zinc/05/19/56/1080051956.db2.gz DRWAOQQDRFJCTA-JKSUJKDBSA-N 1 2 423.583 2.931 20 0 HFADLO COC(=O)c1cc(C)c(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(Cl)c1 ZINC000806842187 1080054677 /nfs/dbraw/zinc/05/46/77/1080054677.db2.gz HAWBNUQRFLYWTE-HNNXBMFYSA-N 1 2 420.897 2.801 20 0 HFADLO CS[C@@H]1CC[C@@H](NC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000806876423 1080076107 /nfs/dbraw/zinc/07/61/07/1080076107.db2.gz VTYHYXABOJRVQL-IXDOHACOSA-N 1 2 412.600 2.607 20 0 HFADLO CS[C@@H]1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000806876422 1080076205 /nfs/dbraw/zinc/07/62/05/1080076205.db2.gz VTYHYXABOJRVQL-GVDBMIGSSA-N 1 2 412.600 2.607 20 0 HFADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000806880907 1080079724 /nfs/dbraw/zinc/07/97/24/1080079724.db2.gz BMMOTNZPGHGBPX-OALUTQOASA-N 1 2 413.522 2.966 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000806883849 1080080625 /nfs/dbraw/zinc/08/06/25/1080080625.db2.gz CDOVOXBDLHIDMK-UHFFFAOYSA-N 1 2 406.596 2.965 20 0 HFADLO COC1CCC(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000806923561 1080091439 /nfs/dbraw/zinc/09/14/39/1080091439.db2.gz MZERHGJLPWMCBR-XBMUEBEBSA-N 1 2 424.586 2.528 20 0 HFADLO CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCOCC1 ZINC000806895695 1080101444 /nfs/dbraw/zinc/10/14/44/1080101444.db2.gz INVLFNMZSPNLQN-RTBURBONSA-N 1 2 424.586 2.528 20 0 HFADLO COCCC1(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCC1 ZINC000806965700 1080133952 /nfs/dbraw/zinc/13/39/52/1080133952.db2.gz VNOOWUXLQCCDKV-GOSISDBHSA-N 1 2 424.586 2.530 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000806952628 1080161438 /nfs/dbraw/zinc/16/14/38/1080161438.db2.gz AFLUOQDZLJWHEU-RBUKOAKNSA-N 1 2 417.456 2.692 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000806952628 1080161441 /nfs/dbraw/zinc/16/14/41/1080161441.db2.gz AFLUOQDZLJWHEU-RBUKOAKNSA-N 1 2 417.456 2.692 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@]3(C)CCCS3)CC2)C1 ZINC000806955537 1080166250 /nfs/dbraw/zinc/16/62/50/1080166250.db2.gz ASMMCAHOSSOORR-JXFKEZNVSA-N 1 2 412.600 2.609 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)N[C@H]3CCCC(F)(F)C3)CC2)C1 ZINC000806992465 1080170758 /nfs/dbraw/zinc/17/07/58/1080170758.db2.gz GRXSARKNWQNUGC-HOTGVXAUSA-N 1 2 416.513 2.901 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CC4CCC3CC4)C2)CC1 ZINC000806992030 1080171390 /nfs/dbraw/zinc/17/13/90/1080171390.db2.gz ZZNWXQMQDAOMFL-BTRQGYIVSA-N 1 2 406.571 2.902 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000806992124 1080172159 /nfs/dbraw/zinc/17/21/59/1080172159.db2.gz BHOKFSFXFHQQDU-JKSUJKDBSA-N 1 2 416.513 2.901 20 0 HFADLO CCOCCC1(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000807012891 1080210180 /nfs/dbraw/zinc/21/01/80/1080210180.db2.gz XRSGYPWXZSKOHH-GOSISDBHSA-N 1 2 424.586 2.530 20 0 HFADLO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000807020431 1080215555 /nfs/dbraw/zinc/21/55/55/1080215555.db2.gz WTVWLOLZEICYSA-QZTJIDSGSA-N 1 2 403.527 2.751 20 0 HFADLO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001130833335 1080253893 /nfs/dbraw/zinc/25/38/93/1080253893.db2.gz YFXGMLWXLCPAMA-LBPRGKRZSA-N 1 2 405.239 2.597 20 0 HFADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089168 1080268738 /nfs/dbraw/zinc/26/87/38/1080268738.db2.gz VZFOJAGITQEFJU-FGZHOGPDSA-N 1 2 407.514 2.573 20 0 HFADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089168 1080268748 /nfs/dbraw/zinc/26/87/48/1080268748.db2.gz VZFOJAGITQEFJU-FGZHOGPDSA-N 1 2 407.514 2.573 20 0 HFADLO C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1nccs1 ZINC000807108886 1080286541 /nfs/dbraw/zinc/28/65/41/1080286541.db2.gz VPTLSCDOTCMGTH-CVEARBPZSA-N 1 2 423.583 2.583 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000807279353 1080437657 /nfs/dbraw/zinc/43/76/57/1080437657.db2.gz CABFRLWBODWFMK-CYBMUJFWSA-N 1 2 424.404 2.997 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000807282258 1080440851 /nfs/dbraw/zinc/44/08/51/1080440851.db2.gz HNUUZACGEFMZEJ-FQEVSTJZSA-N 1 2 405.454 2.871 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC000807282169 1080440932 /nfs/dbraw/zinc/44/09/32/1080440932.db2.gz FTPDMLASJADZLN-WBMJQRKESA-N 1 2 418.906 2.923 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC000807282168 1080441023 /nfs/dbraw/zinc/44/10/23/1080441023.db2.gz FTPDMLASJADZLN-MLGOLLRUSA-N 1 2 418.906 2.923 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000807283595 1080443175 /nfs/dbraw/zinc/44/31/75/1080443175.db2.gz CQHQOFKYPBKZAJ-MRXNPFEDSA-N 1 2 420.897 2.883 20 0 HFADLO Cc1cc2c(cc1C)N(C(=O)C(=O)Nc1cccc(C[NH+]3CCN(C)CC3)c1)CC2 ZINC000807308805 1080502325 /nfs/dbraw/zinc/50/23/25/1080502325.db2.gz TZYSOUPADVMUGF-UHFFFAOYSA-N 1 2 406.530 2.579 20 0 HFADLO Cc1cn2cc(NC(=O)C(=O)N3CCC([C@@H](O)c4ccccc4C)CC3)ccc2[nH+]1 ZINC000807351900 1080558457 /nfs/dbraw/zinc/55/84/57/1080558457.db2.gz JOTZAXHPMHPEPU-OAQYLSRUSA-N 1 2 406.486 2.862 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCC3(C(F)(F)F)CC3)CC2)C1 ZINC000807490866 1080679789 /nfs/dbraw/zinc/67/97/89/1080679789.db2.gz PHRPIEHLRILNDG-CQSZACIVSA-N 1 2 420.476 2.666 20 0 HFADLO CSCc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000807537811 1080753088 /nfs/dbraw/zinc/75/30/88/1080753088.db2.gz RHUICNDDOYYITO-GOSISDBHSA-N 1 2 422.595 2.900 20 0 HFADLO CSCc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000807537811 1080753095 /nfs/dbraw/zinc/75/30/95/1080753095.db2.gz RHUICNDDOYYITO-GOSISDBHSA-N 1 2 422.595 2.900 20 0 HFADLO Cc1ccc(NC(=O)C(=O)NCc2ccncc2OCCC(C)(C)C)c(N(C)C)[nH+]1 ZINC000807539613 1080755058 /nfs/dbraw/zinc/75/50/58/1080755058.db2.gz LIDSZCVFHUKMAI-UHFFFAOYSA-N 1 2 413.522 2.921 20 0 HFADLO COC[C@]1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807551044 1080766809 /nfs/dbraw/zinc/76/68/09/1080766809.db2.gz MHRDFEYBHIWWGQ-OAQYLSRUSA-N 1 2 421.542 2.646 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000807521947 1080774729 /nfs/dbraw/zinc/77/47/29/1080774729.db2.gz QCDOYOYVIUSQHS-RTBURBONSA-N 1 2 403.885 2.965 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000807521947 1080774736 /nfs/dbraw/zinc/77/47/36/1080774736.db2.gz QCDOYOYVIUSQHS-RTBURBONSA-N 1 2 403.885 2.965 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000807556245 1080806450 /nfs/dbraw/zinc/80/64/50/1080806450.db2.gz MMCKAFJGXVFYJW-UHFFFAOYSA-N 1 2 418.900 2.533 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000807556245 1080806456 /nfs/dbraw/zinc/80/64/56/1080806456.db2.gz MMCKAFJGXVFYJW-UHFFFAOYSA-N 1 2 418.900 2.533 20 0 HFADLO CCOC(=O)[C@]12CCO[C@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164434839 718973649 /nfs/dbraw/zinc/97/36/49/718973649.db2.gz WCIGXQHLTRJEID-URXFXBBRSA-N 1 2 422.529 2.583 20 0 HFADLO CCOC(=O)[C@]12CCO[C@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164434839 718973654 /nfs/dbraw/zinc/97/36/54/718973654.db2.gz WCIGXQHLTRJEID-URXFXBBRSA-N 1 2 422.529 2.583 20 0 HFADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164678003 719566276 /nfs/dbraw/zinc/56/62/76/719566276.db2.gz UTIDOUJANWUJBO-UHFFFAOYSA-N 1 2 423.807 2.862 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(OC)cc2cc1C ZINC001164705752 719839016 /nfs/dbraw/zinc/83/90/16/719839016.db2.gz VEUAGZLORZCKJI-FDDCHVKYSA-N 1 2 413.518 2.785 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2cccc(Cl)c2n1 ZINC001164699398 719845708 /nfs/dbraw/zinc/84/57/08/719845708.db2.gz IGWHPVQFWJCMJZ-XOBRGWDASA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2cc(Cl)ccc2n1 ZINC001164697969 719849915 /nfs/dbraw/zinc/84/99/15/719849915.db2.gz CWTJEODWRMXEAG-MGPUTAFESA-N 1 2 404.898 2.516 20 0 HFADLO CCc1nc(Cl)c(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(Cl)n1 ZINC001164707229 719871190 /nfs/dbraw/zinc/87/11/90/719871190.db2.gz RQBXJHMHBMWADD-KPZWWZAWSA-N 1 2 417.337 2.579 20 0 HFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3ccc(Cl)cc3n1)CC2 ZINC001164709169 719915074 /nfs/dbraw/zinc/91/50/74/719915074.db2.gz PUMFOASSMPHHDF-UHFFFAOYSA-N 1 2 424.936 2.572 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCO[C@@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001164713918 720087846 /nfs/dbraw/zinc/08/78/46/720087846.db2.gz VEGGGUKHARSMJS-QKLQHJQFSA-N 1 2 407.942 2.841 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCO[C@@H]2[C@H](OCC(=O)N3CCCC3)CC[C@@H]21 ZINC001164713918 720087851 /nfs/dbraw/zinc/08/78/51/720087851.db2.gz VEGGGUKHARSMJS-QKLQHJQFSA-N 1 2 407.942 2.841 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5ccccc54)CC3)C2=O)cs1 ZINC001164825692 720360184 /nfs/dbraw/zinc/36/01/84/720360184.db2.gz TWCKPVBSDUBBOQ-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5ccccc54)CC3)C2=O)cs1 ZINC001164825692 720360189 /nfs/dbraw/zinc/36/01/89/720360189.db2.gz TWCKPVBSDUBBOQ-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO FC(F)(c1cnc(Cl)nc1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164765396 721272398 /nfs/dbraw/zinc/27/23/98/721272398.db2.gz KUIURQJLMNXODX-ZDUSSCGKSA-N 1 2 406.824 2.982 20 0 HFADLO F[C@H](Oc1ccc(Cl)nn1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770013 721276129 /nfs/dbraw/zinc/27/61/29/721276129.db2.gz RUQSDKIMKMGXCZ-ACJLOTCBSA-N 1 2 404.833 2.564 20 0 HFADLO CCN1CC[C@]2(CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2C)C1=O ZINC001164777935 721317258 /nfs/dbraw/zinc/31/72/58/721317258.db2.gz NHICXVFAFQQRQF-MHECFPHRSA-N 1 2 405.546 2.730 20 0 HFADLO CCN1CC[C@]2(CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2C)C1=O ZINC001164777935 721317261 /nfs/dbraw/zinc/31/72/61/721317261.db2.gz NHICXVFAFQQRQF-MHECFPHRSA-N 1 2 405.546 2.730 20 0 HFADLO CCOC(=O)c1cc2cccnc2nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009810 721704023 /nfs/dbraw/zinc/70/40/23/721704023.db2.gz DVJWKHLKTSJFCI-UHFFFAOYSA-N 1 2 423.521 2.649 20 0 HFADLO CCOC(=O)c1cc2cccnc2nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009810 721704024 /nfs/dbraw/zinc/70/40/24/721704024.db2.gz DVJWKHLKTSJFCI-UHFFFAOYSA-N 1 2 423.521 2.649 20 0 HFADLO CCc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)nc1C ZINC001164915710 721801097 /nfs/dbraw/zinc/80/10/97/721801097.db2.gz YRFGTAXZVRYBPK-NRFANRHFSA-N 1 2 417.941 2.504 20 0 HFADLO CCc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)nc1C ZINC001164915710 721801098 /nfs/dbraw/zinc/80/10/98/721801098.db2.gz YRFGTAXZVRYBPK-NRFANRHFSA-N 1 2 417.941 2.504 20 0 HFADLO CCCN(CCC)c1cc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@@H]3C2)nc[nH+]1 ZINC001164944761 721951253 /nfs/dbraw/zinc/95/12/53/721951253.db2.gz KOBGPLUGLBVQOX-WOJBJXKFSA-N 1 2 414.554 2.797 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(-c3ccncc3)ncn1)CC2 ZINC001164949311 721979141 /nfs/dbraw/zinc/97/91/41/721979141.db2.gz ONAMGOMTHLYKHI-UHFFFAOYSA-N 1 2 414.513 2.510 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(-c3ccncc3)ncn1)CC2 ZINC001164949311 721979142 /nfs/dbraw/zinc/97/91/42/721979142.db2.gz ONAMGOMTHLYKHI-UHFFFAOYSA-N 1 2 414.513 2.510 20 0 HFADLO COc1ccnc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947678 721980422 /nfs/dbraw/zinc/98/04/22/721980422.db2.gz ILNKCHTWTIZBRI-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO COc1ccnc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947678 721980424 /nfs/dbraw/zinc/98/04/24/721980424.db2.gz ILNKCHTWTIZBRI-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165055966 722014117 /nfs/dbraw/zinc/01/41/17/722014117.db2.gz PACZVJRRRBWHQY-UHFFFAOYSA-N 1 2 410.852 2.826 20 0 HFADLO Cc1cccc2c1C[C@H](C(=O)N1CC[NH2+][C@@H](c3cn[nH]c3)C1)N2C(=O)OC(C)(C)C ZINC001170138784 1078048364 /nfs/dbraw/zinc/04/83/64/1078048364.db2.gz FJDXXBNSIPTDOL-IEBWSBKVSA-N 1 2 411.506 2.557 20 0 HFADLO Cn1cc[nH+]c1C[C@H](NC(=O)N(CCO)Cc1cccnc1Cl)c1ccccc1 ZINC000793064022 1078060394 /nfs/dbraw/zinc/06/03/94/1078060394.db2.gz YGLSCBSRJNRULH-SFHVURJKSA-N 1 2 413.909 2.956 20 0 HFADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)Nc1cccc(F)n1 ZINC000793057469 1078068472 /nfs/dbraw/zinc/06/84/72/1078068472.db2.gz LIJOQNBCKDTFQH-QAPCUYQASA-N 1 2 413.497 2.622 20 0 HFADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)Nc1cccc(F)n1 ZINC000793057469 1078068475 /nfs/dbraw/zinc/06/84/75/1078068475.db2.gz LIJOQNBCKDTFQH-QAPCUYQASA-N 1 2 413.497 2.622 20 0 HFADLO CC[C@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C[C@]2(CCOC2)O1 ZINC000793060281 1078069567 /nfs/dbraw/zinc/06/95/67/1078069567.db2.gz XIXXLIXJLSDNNY-GMAHTHKFSA-N 1 2 416.566 2.701 20 0 HFADLO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cn(-c4ccccc4)nn3)cc2)C1=O ZINC000790611149 1078074948 /nfs/dbraw/zinc/07/49/48/1078074948.db2.gz UPVXDCBEJZBKPQ-QHCPKHFHSA-N 1 2 416.485 2.782 20 0 HFADLO Cc1cc(=O)c(C(=O)OCCc2c[nH+]cn2C)nn1-c1ccccc1C(F)(F)F ZINC000793240807 1078108463 /nfs/dbraw/zinc/10/84/63/1078108463.db2.gz GWCBHGGIQRKLCB-UHFFFAOYSA-N 1 2 406.364 2.693 20 0 HFADLO C[C@H]1CCc2c(sc3nc(CCC(=O)OCCc4c[nH+]cn4C)[nH]c(=O)c32)C1 ZINC000793258668 1078111984 /nfs/dbraw/zinc/11/19/84/1078111984.db2.gz QVZGRXXARCPPGV-LBPRGKRZSA-N 1 2 400.504 2.974 20 0 HFADLO C[C@@H]1OCC[C@@]12CN(C(=O)NC1CC[NH+](c3ccc(N(C)C)cc3)CC1)C[C@@H](C)O2 ZINC000790759715 1078112702 /nfs/dbraw/zinc/11/27/02/1078112702.db2.gz HDJVTLIGVQVYPV-IEGUWTFLSA-N 1 2 416.566 2.699 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC000793260057 1078112733 /nfs/dbraw/zinc/11/27/33/1078112733.db2.gz ZNTCODZVYLWFJR-QGZVFWFLSA-N 1 2 403.483 2.588 20 0 HFADLO COc1ncc(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC000793277275 1078117325 /nfs/dbraw/zinc/11/73/25/1078117325.db2.gz BXWCCUGSNICSNO-UHFFFAOYSA-N 1 2 413.902 2.843 20 0 HFADLO COc1ncc(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC000793277275 1078117327 /nfs/dbraw/zinc/11/73/27/1078117327.db2.gz BXWCCUGSNICSNO-UHFFFAOYSA-N 1 2 413.902 2.843 20 0 HFADLO COCC1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793384360 1078162632 /nfs/dbraw/zinc/16/26/32/1078162632.db2.gz VOHBTASIMIIBIW-INIZCTEOSA-N 1 2 406.527 2.779 20 0 HFADLO C[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000793483719 1078189347 /nfs/dbraw/zinc/18/93/47/1078189347.db2.gz RVQXZVNLOLGVBT-FHWLQOOXSA-N 1 2 409.571 2.735 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C3CCC(NC(=O)C4CC4)CC3)CC2)cc1 ZINC000793563170 1078210934 /nfs/dbraw/zinc/21/09/34/1078210934.db2.gz VJROVWTWPMTBLH-UHFFFAOYSA-N 1 2 412.578 2.923 20 0 HFADLO C[C@]12CC[N@H+](CN3C(=O)N[C@](C)(CCc4ccc5c(c4)OCO5)C3=O)C[C@H]1C2(F)F ZINC000793531209 1078212166 /nfs/dbraw/zinc/21/21/66/1078212166.db2.gz PTQRSKCXZZHREK-LSTHTHJFSA-N 1 2 421.444 2.593 20 0 HFADLO C[C@]12CC[N@@H+](CN3C(=O)N[C@](C)(CCc4ccc5c(c4)OCO5)C3=O)C[C@H]1C2(F)F ZINC000793531209 1078212167 /nfs/dbraw/zinc/21/21/67/1078212167.db2.gz PTQRSKCXZZHREK-LSTHTHJFSA-N 1 2 421.444 2.593 20 0 HFADLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cnn(Cc4ccccc4)c3Cl)C2)nn1 ZINC000793589560 1078217004 /nfs/dbraw/zinc/21/70/04/1078217004.db2.gz IMTGWRLMITUGKI-QGZVFWFLSA-N 1 2 414.897 2.800 20 0 HFADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cnn(Cc4ccccc4)c3Cl)C2)nn1 ZINC000793589560 1078217006 /nfs/dbraw/zinc/21/70/06/1078217006.db2.gz IMTGWRLMITUGKI-QGZVFWFLSA-N 1 2 414.897 2.800 20 0 HFADLO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000793594495 1078218547 /nfs/dbraw/zinc/21/85/47/1078218547.db2.gz FBATUMGJVTVEFL-FQEVSTJZSA-N 1 2 414.556 2.993 20 0 HFADLO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=S)N=NC2Cc2cccs2)C1 ZINC000793594495 1078218551 /nfs/dbraw/zinc/21/85/51/1078218551.db2.gz FBATUMGJVTVEFL-FQEVSTJZSA-N 1 2 414.556 2.993 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000793608586 1078227189 /nfs/dbraw/zinc/22/71/89/1078227189.db2.gz IHLDZOUKJQNQCM-NHCUHLMSSA-N 1 2 404.470 2.525 20 0 HFADLO C[N@@H+]1CCN(C(=O)c2cc(C3CC3)cnc2Cl)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793634778 1078235673 /nfs/dbraw/zinc/23/56/73/1078235673.db2.gz BAPZXLDHYUPKSU-HNNXBMFYSA-N 1 2 408.930 2.893 20 0 HFADLO C[N@H+]1CCN(C(=O)c2cc(C3CC3)cnc2Cl)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793634778 1078235676 /nfs/dbraw/zinc/23/56/76/1078235676.db2.gz BAPZXLDHYUPKSU-HNNXBMFYSA-N 1 2 408.930 2.893 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000793664089 1078244532 /nfs/dbraw/zinc/24/45/32/1078244532.db2.gz OKSMDMFGEIPUFT-KKSFZXQISA-N 1 2 415.440 2.974 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N[C@@H](C)C[C@H](O)c2cccs2)[C@@H]1c1c[nH+]cn1C ZINC000793723862 1078266692 /nfs/dbraw/zinc/26/66/92/1078266692.db2.gz PETFQUUYIKJNLU-NVALYEJGSA-N 1 2 418.563 2.800 20 0 HFADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000793726067 1078267475 /nfs/dbraw/zinc/26/74/75/1078267475.db2.gz MVKAWPKBDJVIQP-MRXNPFEDSA-N 1 2 408.424 2.814 20 0 HFADLO CC[C@]1(C(C)C)NC(=O)N(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793725606 1078267917 /nfs/dbraw/zinc/26/79/17/1078267917.db2.gz XGOAZURSQPTBBV-CKJXQJPGSA-N 1 2 408.543 2.632 20 0 HFADLO CC[C@]1(C(C)C)NC(=O)N(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793725606 1078267919 /nfs/dbraw/zinc/26/79/19/1078267919.db2.gz XGOAZURSQPTBBV-CKJXQJPGSA-N 1 2 408.543 2.632 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@@H+]1CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C1)C2 ZINC000793708426 1078277231 /nfs/dbraw/zinc/27/72/31/1078277231.db2.gz PCRNXVUKJTYFMK-QFBILLFUSA-N 1 2 401.507 2.940 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@H+]1CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C1)C2 ZINC000793708426 1078277234 /nfs/dbraw/zinc/27/72/34/1078277234.db2.gz PCRNXVUKJTYFMK-QFBILLFUSA-N 1 2 401.507 2.940 20 0 HFADLO CC(C)Cn1c(=S)n(C[N@@H+]2CCOC[C@H](C3CCC3)C2)nc1N1CCOCC1 ZINC000793740906 1078287176 /nfs/dbraw/zinc/28/71/76/1078287176.db2.gz GQEUUTDWVLEKLW-GOSISDBHSA-N 1 2 409.600 2.613 20 0 HFADLO CC(C)Cn1c(=S)n(C[N@H+]2CCOC[C@H](C3CCC3)C2)nc1N1CCOCC1 ZINC000793740906 1078287181 /nfs/dbraw/zinc/28/71/81/1078287181.db2.gz GQEUUTDWVLEKLW-GOSISDBHSA-N 1 2 409.600 2.613 20 0 HFADLO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)C2=O)cn1 ZINC000793787864 1078296514 /nfs/dbraw/zinc/29/65/14/1078296514.db2.gz FTJNYFPDQTVNDK-MAUKXSAKSA-N 1 2 418.950 2.815 20 0 HFADLO Cn1cc(C[C@H]2CC(=O)N(C[N@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)C2=O)cn1 ZINC000793787864 1078296518 /nfs/dbraw/zinc/29/65/18/1078296518.db2.gz FTJNYFPDQTVNDK-MAUKXSAKSA-N 1 2 418.950 2.815 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc3c(c2)C[C@H](OC)C3)[C@@H]1c1c[nH+]cn1C ZINC000793807245 1078305500 /nfs/dbraw/zinc/30/55/00/1078305500.db2.gz FPQBRVPDRMDQNR-WOIUINJBSA-N 1 2 410.518 2.862 20 0 HFADLO CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000793863517 1078326629 /nfs/dbraw/zinc/32/66/29/1078326629.db2.gz SZBVAPUADHABLU-GXTWGEPZSA-N 1 2 408.449 2.996 20 0 HFADLO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)c(F)c1)CCC2 ZINC000793915702 1078336853 /nfs/dbraw/zinc/33/68/53/1078336853.db2.gz QOTLEIDKTJBSHL-SFHVURJKSA-N 1 2 424.480 2.599 20 0 HFADLO COC(=O)c1ccc(CS[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000793953955 1078346677 /nfs/dbraw/zinc/34/66/77/1078346677.db2.gz WSKHDXKEAVGTIO-HNNXBMFYSA-N 1 2 417.506 2.978 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)CCc3cnccn3)cc2Br)CC1 ZINC000793944283 1078353802 /nfs/dbraw/zinc/35/38/02/1078353802.db2.gz WABAEVRIYKPXJV-UHFFFAOYSA-N 1 2 404.312 2.562 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC000804436987 1078481208 /nfs/dbraw/zinc/48/12/08/1078481208.db2.gz UXBWUHDRAGUZFV-DEPCRRQNSA-N 1 2 421.582 2.876 20 0 HFADLO CO[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)c1ccc(Br)s1 ZINC001129774116 1078484187 /nfs/dbraw/zinc/48/41/87/1078484187.db2.gz JEWVIFQXFHVMIL-AWEZNQCLSA-N 1 2 405.358 2.767 20 0 HFADLO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804438210 1078483089 /nfs/dbraw/zinc/48/30/89/1078483089.db2.gz LKVMTPXNWSMEGQ-QAPCUYQASA-N 1 2 402.926 2.828 20 0 HFADLO CN(C(=O)c1nn(C(C)(C)C)cc1Br)C(C)(C)C[NH+]1CCOCC1 ZINC001129772700 1078483174 /nfs/dbraw/zinc/48/31/74/1078483174.db2.gz JOZMYQDDULLJEI-UHFFFAOYSA-N 1 2 401.349 2.583 20 0 HFADLO CO[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)c1ccc(Br)s1 ZINC001129774117 1078484701 /nfs/dbraw/zinc/48/47/01/1078484701.db2.gz JEWVIFQXFHVMIL-CQSZACIVSA-N 1 2 405.358 2.767 20 0 HFADLO Cc1nn(-c2ccccc2)c2ncc(C(=O)N3C[C@H]([NH+]4CCOCC4)C[C@@H]3C)cc12 ZINC000804438548 1078503898 /nfs/dbraw/zinc/50/38/98/1078503898.db2.gz QNFLUTVQEPUCNI-OXJNMPFZSA-N 1 2 405.502 2.664 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1CSC1=NCCS1 ZINC000804439918 1078504781 /nfs/dbraw/zinc/50/47/81/1078504781.db2.gz NHTYOCKMISEIMJ-DOTOQJQBSA-N 1 2 405.589 2.958 20 0 HFADLO Cc1nc2c(Cl)cccc2cc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001129555146 1078545481 /nfs/dbraw/zinc/54/54/81/1078545481.db2.gz HIGFGAZCPZFDGB-UHFFFAOYSA-N 1 2 403.910 2.808 20 0 HFADLO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001129585948 1078584103 /nfs/dbraw/zinc/58/41/03/1078584103.db2.gz XVUQQDQPAGSVRJ-UHFFFAOYSA-N 1 2 403.426 2.724 20 0 HFADLO Cc1cccnc1/C=C\C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760237 1078610049 /nfs/dbraw/zinc/61/00/49/1078610049.db2.gz IEOJWUUTVNCEHJ-ZEVQVBBLSA-N 1 2 400.523 2.557 20 0 HFADLO CC[C@@](CNC(=O)c1ccccc1C[NH+]1CCOCC1)(C(=O)OC)c1ccccc1 ZINC001129668214 1078627893 /nfs/dbraw/zinc/62/78/93/1078627893.db2.gz LGQZOHYSLOGIOH-DEOSSOPVSA-N 1 2 410.514 2.770 20 0 HFADLO COC(=O)Nc1cccc(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000804606466 1078650487 /nfs/dbraw/zinc/65/04/87/1078650487.db2.gz OSBVBEFPMMOKCN-INIZCTEOSA-N 1 2 414.481 2.831 20 0 HFADLO COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NCc2c[nH+]c3ccc(C)cn23)cc1 ZINC000804610181 1078656988 /nfs/dbraw/zinc/65/69/88/1078656988.db2.gz PZKRSORVDMZTDG-MRXNPFEDSA-N 1 2 410.474 2.563 20 0 HFADLO Cc1cc(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(C)s1 ZINC000804596612 1078665085 /nfs/dbraw/zinc/66/50/85/1078665085.db2.gz PFEUTYPBZQLLBO-UHFFFAOYSA-N 1 2 402.516 2.670 20 0 HFADLO Cc1cc(C)c(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c[nH+]1 ZINC001129713850 1078669039 /nfs/dbraw/zinc/66/90/39/1078669039.db2.gz HZTQSGAKBOAJEH-KRWDZBQOSA-N 1 2 400.866 2.873 20 0 HFADLO CCN(C)c1ccccc1CNC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000804833329 1078674364 /nfs/dbraw/zinc/67/43/64/1078674364.db2.gz QIHBGCSNOIDVFN-UHFFFAOYSA-N 1 2 411.550 2.674 20 0 HFADLO Cc1noc(-c2ccc(N3CC[C@@H]([NH+]4CCN(C(=O)OC(C)(C)C)CC4)C3)nc2)n1 ZINC000804834119 1078675975 /nfs/dbraw/zinc/67/59/75/1078675975.db2.gz XWBQVJMATYKQPM-QGZVFWFLSA-N 1 2 414.510 2.571 20 0 HFADLO CC(C)(C)OC(=O)NC1[C@@H]2CCC[C@H]1CC(C(=O)NC(C)(C)C[NH+]1CCOCC1)C2 ZINC001129727951 1078678058 /nfs/dbraw/zinc/67/80/58/1078678058.db2.gz PNHWFFDBZSRXSJ-LPOKXYRGSA-N 1 2 423.598 2.933 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)C2 ZINC000804860320 1078685977 /nfs/dbraw/zinc/68/59/77/1078685977.db2.gz YTONVBJOUIMADS-JOCHJYFZSA-N 1 2 424.586 2.530 20 0 HFADLO CC[C@H](C(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000804876600 1078699762 /nfs/dbraw/zinc/69/97/62/1078699762.db2.gz IJXNZKFIENOIHN-VAMGGRTRSA-N 1 2 409.571 2.926 20 0 HFADLO CC[C@H](C(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000804876600 1078699767 /nfs/dbraw/zinc/69/97/67/1078699767.db2.gz IJXNZKFIENOIHN-VAMGGRTRSA-N 1 2 409.571 2.926 20 0 HFADLO COC(=O)c1cncnc1Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000804646731 1078703998 /nfs/dbraw/zinc/70/39/98/1078703998.db2.gz OKXORUPFBRZYDW-UHFFFAOYSA-N 1 2 406.284 2.521 20 0 HFADLO Cn1ccnc1[C@@H]1CCCN(c2cncc(N3CCC[C@@H](c4[nH+]ccn4C)C3)n2)C1 ZINC000804662296 1078731108 /nfs/dbraw/zinc/73/11/08/1078731108.db2.gz SQLFHCKMLOOBOC-QZTJIDSGSA-N 1 2 406.538 2.712 20 0 HFADLO O=C1c2ccc(Br)cc2S(=O)(=O)N1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000804920048 1078742239 /nfs/dbraw/zinc/74/22/39/1078742239.db2.gz IWPHVCHHQUPKEX-UHFFFAOYSA-N 1 2 418.272 2.980 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCCSC(C)(C)C)C2)CC1 ZINC000805054115 1078867936 /nfs/dbraw/zinc/86/79/36/1078867936.db2.gz HIYZNQSUQAAMKG-MRXNPFEDSA-N 1 2 414.616 2.855 20 0 HFADLO Cc1cccc(CCNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000805033181 1078880598 /nfs/dbraw/zinc/88/05/98/1078880598.db2.gz FTWCPKXWWJKELK-FQEVSTJZSA-N 1 2 416.566 2.874 20 0 HFADLO CCCC[C@H](COC)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805135866 1078932290 /nfs/dbraw/zinc/93/22/90/1078932290.db2.gz YXJJRXKGZMZFQO-MSOLQXFVSA-N 1 2 412.575 2.528 20 0 HFADLO CCc1cnc(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC000805160793 1078951889 /nfs/dbraw/zinc/95/18/89/1078951889.db2.gz DUWBXVLGQXZTBJ-OAHLLOKOSA-N 1 2 423.583 2.542 20 0 HFADLO O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000805226635 1078972772 /nfs/dbraw/zinc/97/27/72/1078972772.db2.gz IOOJFGMWSONERH-OALUTQOASA-N 1 2 415.538 2.893 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC[C@@]3(C)CCCS3)C2)CC1 ZINC000805199865 1078972002 /nfs/dbraw/zinc/97/20/02/1078972002.db2.gz GUQYCUSCKBRBDW-OXJNMPFZSA-N 1 2 412.600 2.609 20 0 HFADLO CC(C)CSCCNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805232166 1078974783 /nfs/dbraw/zinc/97/47/83/1078974783.db2.gz OHLOQJXSMIRNRG-QGZVFWFLSA-N 1 2 414.616 2.712 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000805213956 1078989327 /nfs/dbraw/zinc/98/93/27/1078989327.db2.gz XWUFQRVFQPXMSN-HUUCEWRRSA-N 1 2 402.486 2.511 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc(Cl)cn3)C2)CC1 ZINC000805260615 1079001408 /nfs/dbraw/zinc/00/14/08/1079001408.db2.gz VXPCORZURPCUIB-QGZVFWFLSA-N 1 2 423.945 2.572 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000805272415 1079003963 /nfs/dbraw/zinc/00/39/63/1079003963.db2.gz NAXSZMUCHCGNOB-IRXDYDNUSA-N 1 2 424.586 2.669 20 0 HFADLO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000805279891 1079006319 /nfs/dbraw/zinc/00/63/19/1079006319.db2.gz RPVOWCQKVWZMTP-UHFFFAOYSA-N 1 2 402.564 2.949 20 0 HFADLO CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C(F)(F)F ZINC000805329868 1079021335 /nfs/dbraw/zinc/02/13/35/1079021335.db2.gz CSFUUWSROADYTM-KGLIPLIRSA-N 1 2 408.465 2.664 20 0 HFADLO C[C@H](CC(F)(F)F)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805292203 1079013711 /nfs/dbraw/zinc/01/37/11/1079013711.db2.gz JWLIFSBQGVHNSC-ZIAGYGMSSA-N 1 2 408.465 2.664 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)N[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000805314160 1079033329 /nfs/dbraw/zinc/03/33/29/1079033329.db2.gz LMUJLFDPYCLPKJ-IERDGZPVSA-N 1 2 403.527 2.631 20 0 HFADLO C[C@H](CNC(=O)c1cccc(F)c1I)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259532 1079148338 /nfs/dbraw/zinc/14/83/38/1079148338.db2.gz GGRROGBXDLXXRO-UTUOFQBUSA-N 1 2 420.266 2.658 20 0 HFADLO C[C@H](CNC(=O)c1cccc(F)c1I)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259532 1079148342 /nfs/dbraw/zinc/14/83/42/1079148342.db2.gz GGRROGBXDLXXRO-UTUOFQBUSA-N 1 2 420.266 2.658 20 0 HFADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000805753605 1079231261 /nfs/dbraw/zinc/23/12/61/1079231261.db2.gz HAPKRRPRMKYTLD-OAHLLOKOSA-N 1 2 403.483 2.878 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000805776375 1079248893 /nfs/dbraw/zinc/24/88/93/1079248893.db2.gz PHTGOMQZFDYYJL-QGZVFWFLSA-N 1 2 400.516 2.980 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000805776375 1079248897 /nfs/dbraw/zinc/24/88/97/1079248897.db2.gz PHTGOMQZFDYYJL-QGZVFWFLSA-N 1 2 400.516 2.980 20 0 HFADLO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788551 1079254490 /nfs/dbraw/zinc/25/44/90/1079254490.db2.gz KAVUYKLSVWUQHB-CUSZFKRNSA-N 1 2 402.457 2.821 20 0 HFADLO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788551 1079254493 /nfs/dbraw/zinc/25/44/93/1079254493.db2.gz KAVUYKLSVWUQHB-CUSZFKRNSA-N 1 2 402.457 2.821 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000805763876 1079265555 /nfs/dbraw/zinc/26/55/55/1079265555.db2.gz YAGCLSKOLDISCD-KRWDZBQOSA-N 1 2 400.516 2.932 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCCS(=O)(=O)c1ccc(F)cc1 ZINC000805763876 1079265558 /nfs/dbraw/zinc/26/55/58/1079265558.db2.gz YAGCLSKOLDISCD-KRWDZBQOSA-N 1 2 400.516 2.932 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1CC[C@@H]1CCOC1=O ZINC000805829590 1079298272 /nfs/dbraw/zinc/29/82/72/1079298272.db2.gz JRQAEAJGCLWKOO-KMFMINBZSA-N 1 2 414.424 2.832 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1CC[C@@H]1CCOC1=O ZINC000805829590 1079298277 /nfs/dbraw/zinc/29/82/77/1079298277.db2.gz JRQAEAJGCLWKOO-KMFMINBZSA-N 1 2 414.424 2.832 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000805830696 1079299424 /nfs/dbraw/zinc/29/94/24/1079299424.db2.gz FGSBVQZGLFJKNV-QGZVFWFLSA-N 1 2 403.527 2.587 20 0 HFADLO C[C@H]1C[N@H+](CCCOc2c(Br)cccc2Br)CC(=O)N1 ZINC001170491767 1079329884 /nfs/dbraw/zinc/32/98/84/1079329884.db2.gz YHVMIXXFGPIPLR-JTQLQIEISA-N 1 2 406.118 2.801 20 0 HFADLO C[C@H]1C[N@@H+](CCCOc2c(Br)cccc2Br)CC(=O)N1 ZINC001170491767 1079329890 /nfs/dbraw/zinc/32/98/90/1079329890.db2.gz YHVMIXXFGPIPLR-JTQLQIEISA-N 1 2 406.118 2.801 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC001130492382 1079401902 /nfs/dbraw/zinc/40/19/02/1079401902.db2.gz JMYDMWJBEBRZDL-SFHVURJKSA-N 1 2 419.432 2.556 20 0 HFADLO CCn1c(=O)c2ccc(C(=O)NCc3ccc(CC[NH+](C)C)cc3)cc2[nH]c1=S ZINC000787338034 1076782805 /nfs/dbraw/zinc/78/28/05/1076782805.db2.gz XNKKVWWBWNANNM-UHFFFAOYSA-N 1 2 410.543 2.739 20 0 HFADLO CN(C)c1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)ccn1 ZINC000787531484 1076850809 /nfs/dbraw/zinc/85/08/09/1076850809.db2.gz BVMMPRJNWWYHFY-UHFFFAOYSA-N 1 2 418.339 2.914 20 0 HFADLO Cc1cc(=O)[nH]cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787535131 1076851380 /nfs/dbraw/zinc/85/13/80/1076851380.db2.gz FMURVHNQKKLARN-UHFFFAOYSA-N 1 2 405.296 2.862 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(C(N)=O)c3)cc2Br)CC1 ZINC000787534583 1076851678 /nfs/dbraw/zinc/85/16/78/1076851678.db2.gz YRKUQYUMOJZYFG-UHFFFAOYSA-N 1 2 417.307 2.552 20 0 HFADLO C[N@H+](Cc1nc2ccsc2c(=O)[nH]1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787729390 1076932934 /nfs/dbraw/zinc/93/29/34/1076932934.db2.gz IYXBZDZVDXTHOZ-DJJJIMSYSA-N 1 2 408.524 2.589 20 0 HFADLO C[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787729390 1076932935 /nfs/dbraw/zinc/93/29/35/1076932935.db2.gz IYXBZDZVDXTHOZ-DJJJIMSYSA-N 1 2 408.524 2.589 20 0 HFADLO CC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787883537 1076976186 /nfs/dbraw/zinc/97/61/86/1076976186.db2.gz YJBQDHQIDZELAW-OAHLLOKOSA-N 1 2 423.355 2.540 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000788154883 1077070209 /nfs/dbraw/zinc/07/02/09/1077070209.db2.gz PLUUVUNACAXNIU-KRWDZBQOSA-N 1 2 416.528 2.912 20 0 HFADLO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c(C)o1 ZINC000788251539 1077087089 /nfs/dbraw/zinc/08/70/89/1077087089.db2.gz YHEFGOPPVLZTOL-AWEZNQCLSA-N 1 2 420.535 2.554 20 0 HFADLO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c(C)o1 ZINC000788251539 1077087092 /nfs/dbraw/zinc/08/70/92/1077087092.db2.gz YHEFGOPPVLZTOL-AWEZNQCLSA-N 1 2 420.535 2.554 20 0 HFADLO O=C1C[C@]2(CC[N@H+](Cn3nc(N4CCCCC4)n(-c4ccccc4)c3=S)C2)CN1 ZINC000788383989 1077137854 /nfs/dbraw/zinc/13/78/54/1077137854.db2.gz VFXUCHSGIWOCKH-OAQYLSRUSA-N 1 2 412.563 2.563 20 0 HFADLO O=C1C[C@]2(CC[N@@H+](Cn3nc(N4CCCCC4)n(-c4ccccc4)c3=S)C2)CN1 ZINC000788383989 1077137857 /nfs/dbraw/zinc/13/78/57/1077137857.db2.gz VFXUCHSGIWOCKH-OAQYLSRUSA-N 1 2 412.563 2.563 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCCC3CCCCC3)CC2)cc1 ZINC000788432297 1077145133 /nfs/dbraw/zinc/14/51/33/1077145133.db2.gz NUFDRCKIJZFAOY-UHFFFAOYSA-N 1 2 400.567 2.924 20 0 HFADLO CS(=O)(=O)c1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1Cl ZINC000788446420 1077162522 /nfs/dbraw/zinc/16/25/22/1077162522.db2.gz WQUGHIOCTIGYHF-UHFFFAOYSA-N 1 2 403.891 2.918 20 0 HFADLO O=C(c1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)ccn1)N1CCCCC1 ZINC000788449518 1077163161 /nfs/dbraw/zinc/16/31/61/1077163161.db2.gz OPAAYJFYDZXBTH-LJQANCHMSA-N 1 2 400.548 2.677 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@@H]2CCSc3c(F)cccc32)c1C ZINC000788461621 1077167304 /nfs/dbraw/zinc/16/73/04/1077167304.db2.gz FMSDGCMCHNKXPR-OAHLLOKOSA-N 1 2 403.479 2.816 20 0 HFADLO CC[C@@H]1CN(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C[C@H](C)S1(=O)=O ZINC001170085016 1077169631 /nfs/dbraw/zinc/16/96/31/1077169631.db2.gz FCKFRLZIIQFUGP-FXAWDEMLSA-N 1 2 414.015 2.750 20 0 HFADLO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3cc4ccccc4c(Cl)n3)CC2)cc1 ZINC000788474965 1077171833 /nfs/dbraw/zinc/17/18/33/1077171833.db2.gz MQWYZVPOWZXHLR-UHFFFAOYSA-N 1 2 416.934 2.858 20 0 HFADLO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H](CO)c2c(F)cccc2F)CCN1C(=O)OC(C)(C)C ZINC000788647502 1077224727 /nfs/dbraw/zinc/22/47/27/1077224727.db2.gz VHWUCPBPEYZGJF-INMHGKMJSA-N 1 2 414.449 2.529 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C)c1Cl ZINC000788648785 1077225060 /nfs/dbraw/zinc/22/50/60/1077225060.db2.gz CDNWCITZYTZMGR-SNVBAGLBSA-N 1 2 403.913 2.788 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1Cl ZINC000788650534 1077226148 /nfs/dbraw/zinc/22/61/48/1077226148.db2.gz TVKYBGORZDBSKB-ZYHUDNBSSA-N 1 2 417.940 2.965 20 0 HFADLO O=C(c1ccnc(F)c1F)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000788640770 1077243903 /nfs/dbraw/zinc/24/39/03/1077243903.db2.gz FSFUEUDMAJMHIY-UHFFFAOYSA-N 1 2 419.457 2.862 20 0 HFADLO O=S(=O)(c1cc(Br)cnc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788703495 1077264182 /nfs/dbraw/zinc/26/41/82/1077264182.db2.gz QUYIXUBXEGKBEF-GFCCVEGCSA-N 1 2 418.700 2.735 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)cc2C1 ZINC000791026509 1077274854 /nfs/dbraw/zinc/27/48/54/1077274854.db2.gz CXJUWOIPWQZQKV-UHFFFAOYSA-N 1 2 412.799 2.850 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccc(Cl)nc3C(F)(F)F)cc2C1 ZINC000791026509 1077274859 /nfs/dbraw/zinc/27/48/59/1077274859.db2.gz CXJUWOIPWQZQKV-UHFFFAOYSA-N 1 2 412.799 2.850 20 0 HFADLO CN(C[C@@H]1CCC[N@@H+]1CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000788770994 1077284032 /nfs/dbraw/zinc/28/40/32/1077284032.db2.gz OXQYIURXNUKJBZ-MOPGFXCFSA-N 1 2 415.534 2.893 20 0 HFADLO CN(C[C@@H]1CCC[N@H+]1CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000788770994 1077284039 /nfs/dbraw/zinc/28/40/39/1077284039.db2.gz OXQYIURXNUKJBZ-MOPGFXCFSA-N 1 2 415.534 2.893 20 0 HFADLO Cc1ccccc1C(=O)NC1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000788773001 1077296233 /nfs/dbraw/zinc/29/62/33/1077296233.db2.gz SXUDNLYQVKZXRC-HXUWFJFHSA-N 1 2 419.525 2.765 20 0 HFADLO O=C(CC1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1)NC1CCCC1 ZINC000788773682 1077297256 /nfs/dbraw/zinc/29/72/56/1077297256.db2.gz WWQOGIXKHVINHG-HXUWFJFHSA-N 1 2 411.546 2.723 20 0 HFADLO COC(=O)N1CCN(c2cc[nH+]cc2NS(=O)(=O)c2cc(Cl)ccc2C)CC1 ZINC000791108990 1077300634 /nfs/dbraw/zinc/30/06/34/1077300634.db2.gz JJCDNGKROHZQQH-UHFFFAOYSA-N 1 2 424.910 2.733 20 0 HFADLO COC(=O)N1CCN(c2cc[nH+]cc2NS(=O)(=O)c2ccc(Cl)cc2C)CC1 ZINC000791111717 1077300716 /nfs/dbraw/zinc/30/07/16/1077300716.db2.gz ZGBIBNFCGMVTSD-UHFFFAOYSA-N 1 2 424.910 2.733 20 0 HFADLO C[C@@H](C(=O)O[C@@H]1CCN(C2CCOCC2)C1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000746983743 1077309863 /nfs/dbraw/zinc/30/98/63/1077309863.db2.gz RNCMCWUITRNJRR-PGRDOPGGSA-N 1 2 414.546 2.653 20 0 HFADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000788836284 1077315301 /nfs/dbraw/zinc/31/53/01/1077315301.db2.gz DEOQXXCYGYMIHT-GOSISDBHSA-N 1 2 418.538 2.561 20 0 HFADLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000788835778 1077315604 /nfs/dbraw/zinc/31/56/04/1077315604.db2.gz ZQASTPLQNYNOMV-HZPDHXFCSA-N 1 2 411.449 2.954 20 0 HFADLO O=C(NCCOC(F)(F)F)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000788838282 1077315824 /nfs/dbraw/zinc/31/58/24/1077315824.db2.gz LMDMYOIYKWLNSF-UHFFFAOYSA-N 1 2 415.334 2.949 20 0 HFADLO C[C@@H](CNS(=O)(=O)C1=Cc2ccccc2OC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000788882337 1077328887 /nfs/dbraw/zinc/32/88/87/1077328887.db2.gz SKBYTLWNVTWWKY-SFHVURJKSA-N 1 2 413.543 2.550 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000791284765 1077369856 /nfs/dbraw/zinc/36/98/56/1077369856.db2.gz SMNROTVRMWONCY-UHFFFAOYSA-N 1 2 404.426 2.730 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CSc1nnnn1CC(F)(F)F ZINC000791371717 1077385028 /nfs/dbraw/zinc/38/50/28/1077385028.db2.gz MSGUFTLMDXSXRU-UHFFFAOYSA-N 1 2 412.397 2.565 20 0 HFADLO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791403930 1077399848 /nfs/dbraw/zinc/39/98/48/1077399848.db2.gz CRGHCGXVRAMHFD-UHFFFAOYSA-N 1 2 403.460 2.689 20 0 HFADLO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)OCc1cc[nH+]c(N)c1)C2=O ZINC000791478641 1077419809 /nfs/dbraw/zinc/41/98/09/1077419809.db2.gz QUISZGMFWSEQMI-UHFFFAOYSA-N 1 2 402.495 2.624 20 0 HFADLO CC(C)(C)OC(=O)NC[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000791461495 1077435344 /nfs/dbraw/zinc/43/53/44/1077435344.db2.gz WDOFBKJRPIQIIZ-SFHVURJKSA-N 1 2 423.529 2.661 20 0 HFADLO O=C(Nc1cccc(COc2ccccc2)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000746788797 1077444754 /nfs/dbraw/zinc/44/47/54/1077444754.db2.gz HKTJHORATMQHIP-JOCHJYFZSA-N 1 2 423.513 2.527 20 0 HFADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789224490 1077463929 /nfs/dbraw/zinc/46/39/29/1077463929.db2.gz VKCBBQXLTOVFAX-KBAYOESNSA-N 1 2 404.511 2.890 20 0 HFADLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789246797 1077470539 /nfs/dbraw/zinc/47/05/39/1077470539.db2.gz XFPNPYHOCKHWND-KBAYOESNSA-N 1 2 404.511 2.890 20 0 HFADLO CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000746813234 1077555536 /nfs/dbraw/zinc/55/55/36/1077555536.db2.gz OHFXXCAGFWZVTA-FLIBITNWSA-N 1 2 420.469 2.516 20 0 HFADLO Nc1cc(COC(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)cc[nH+]1 ZINC000791811303 1077563545 /nfs/dbraw/zinc/56/35/45/1077563545.db2.gz MSEOTLMCCMVTJA-OAHLLOKOSA-N 1 2 404.264 2.774 20 0 HFADLO COC(=O)c1cc(F)c(Cl)nc1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170161121 1077605656 /nfs/dbraw/zinc/60/56/56/1077605656.db2.gz CDEPQYBTESCLRV-UHFFFAOYSA-N 1 2 407.833 2.529 20 0 HFADLO C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)CC(C)(C)S(C)(=O)=O ZINC000789514205 1077605984 /nfs/dbraw/zinc/60/59/84/1077605984.db2.gz PZXPHXFQZYWWCI-UHFFFAOYSA-N 1 2 419.385 2.541 20 0 HFADLO C[N@@H+](Cc1ccc(Br)cc1N1CCOCC1)CC(C)(C)S(C)(=O)=O ZINC000789514205 1077605985 /nfs/dbraw/zinc/60/59/85/1077605985.db2.gz PZXPHXFQZYWWCI-UHFFFAOYSA-N 1 2 419.385 2.541 20 0 HFADLO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1C[NH+]1CCC2(CCOCC2)CC1 ZINC000789531924 1077626791 /nfs/dbraw/zinc/62/67/91/1077626791.db2.gz ROSNBQNVRFKMKV-IBGZPJMESA-N 1 2 411.424 2.846 20 0 HFADLO Cn1cc([C@H]2CN(C(=O)C[C@@H](O)c3ccc(OCc4ccccc4)cc3)CC[NH2+]2)cn1 ZINC001170111522 1077668145 /nfs/dbraw/zinc/66/81/45/1077668145.db2.gz GXUPDVMCRZHXCA-DHIUTWEWSA-N 1 2 420.513 2.596 20 0 HFADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1nc(Br)ccc1F ZINC000792048281 1077693760 /nfs/dbraw/zinc/69/37/60/1077693760.db2.gz INFYJHHAYIJJSB-UHFFFAOYSA-N 1 2 407.287 2.535 20 0 HFADLO CCC(C)(C)OCc1ccccc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000789599286 1077703302 /nfs/dbraw/zinc/70/33/02/1077703302.db2.gz NGYQHILKSIELMA-UHFFFAOYSA-N 1 2 406.874 2.698 20 0 HFADLO CC(C)COc1ccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)cc1Cl ZINC000789599564 1077704173 /nfs/dbraw/zinc/70/41/73/1077704173.db2.gz QHCCMPBZOGGBFT-UHFFFAOYSA-N 1 2 413.265 2.681 20 0 HFADLO CC/C(=C/C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(OC)cc1 ZINC000746838710 1077723247 /nfs/dbraw/zinc/72/32/47/1077723247.db2.gz AFZDKWYHOIGWJT-HNENSFHCSA-N 1 2 422.529 2.739 20 0 HFADLO Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000789691031 1077729458 /nfs/dbraw/zinc/72/94/58/1077729458.db2.gz QLDNZECEAYCHGC-RDJZCZTQSA-N 1 2 408.836 2.822 20 0 HFADLO Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000789691031 1077729463 /nfs/dbraw/zinc/72/94/63/1077729463.db2.gz QLDNZECEAYCHGC-RDJZCZTQSA-N 1 2 408.836 2.822 20 0 HFADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000746848423 1077736930 /nfs/dbraw/zinc/73/69/30/1077736930.db2.gz PEQDPZFZXQZPFC-KRWDZBQOSA-N 1 2 405.539 2.842 20 0 HFADLO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789767916 1077769690 /nfs/dbraw/zinc/76/96/90/1077769690.db2.gz FHBKOQNZLUVLQM-NRFANRHFSA-N 1 2 415.925 2.997 20 0 HFADLO CC(C)(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789767916 1077769699 /nfs/dbraw/zinc/76/96/99/1077769699.db2.gz FHBKOQNZLUVLQM-NRFANRHFSA-N 1 2 415.925 2.997 20 0 HFADLO C[N@@H+]1CCN(C(=O)c2ccn(C3CCCCC3)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000792217134 1077771015 /nfs/dbraw/zinc/77/10/15/1077771015.db2.gz DWQGSKNVZCYJBL-KRWDZBQOSA-N 1 2 405.543 2.669 20 0 HFADLO C[N@H+]1CCN(C(=O)c2ccn(C3CCCCC3)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000792217134 1077771022 /nfs/dbraw/zinc/77/10/22/1077771022.db2.gz DWQGSKNVZCYJBL-KRWDZBQOSA-N 1 2 405.543 2.669 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC[C@@H]2CC(=O)c2ccco2)CC1 ZINC000792218911 1077771361 /nfs/dbraw/zinc/77/13/61/1077771361.db2.gz AOUIFENMBLMNAC-QGZVFWFLSA-N 1 2 419.522 2.786 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+]3CCC[C@H]4CCC[C@H]43)nc(=O)c2c1C ZINC000772792404 1077772280 /nfs/dbraw/zinc/77/22/80/1077772280.db2.gz BGKIAOZYHVBJBJ-ZIAGYGMSSA-N 1 2 405.520 2.861 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@H+]3CCC[C@H]4CCC[C@H]43)nc(=O)c2c1C ZINC000772792404 1077772283 /nfs/dbraw/zinc/77/22/83/1077772283.db2.gz BGKIAOZYHVBJBJ-ZIAGYGMSSA-N 1 2 405.520 2.861 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)c2ccn(-c3ccccc3)n2)CC1 ZINC000789791652 1077798633 /nfs/dbraw/zinc/79/86/33/1077798633.db2.gz IDCDWLUABZVOAX-UHFFFAOYSA-N 1 2 414.506 2.972 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)c2ccn(-c3ccccc3)n2)CC1 ZINC000789791652 1077798637 /nfs/dbraw/zinc/79/86/37/1077798637.db2.gz IDCDWLUABZVOAX-UHFFFAOYSA-N 1 2 414.506 2.972 20 0 HFADLO O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789795809 1077802208 /nfs/dbraw/zinc/80/22/08/1077802208.db2.gz JJGDMMABRGODMV-MRXNPFEDSA-N 1 2 416.428 2.578 20 0 HFADLO COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789795807 1077802272 /nfs/dbraw/zinc/80/22/72/1077802272.db2.gz JIWJGSRAFAPJSX-QGZVFWFLSA-N 1 2 411.458 2.610 20 0 HFADLO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000789917636 1077846407 /nfs/dbraw/zinc/84/64/07/1077846407.db2.gz SJLPBMMVHOQPLE-HNNXBMFYSA-N 1 2 407.864 2.933 20 0 HFADLO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000792383609 1077847779 /nfs/dbraw/zinc/84/77/79/1077847779.db2.gz CQWAYDDVYVTTGO-UHFFFAOYSA-N 1 2 414.481 2.539 20 0 HFADLO COc1c(C)c[nH+]c(CN(C)C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)c1C ZINC000746864099 1077877663 /nfs/dbraw/zinc/87/76/63/1077877663.db2.gz MXNNDCVYJHSGKN-BQYQJAHWSA-N 1 2 409.490 2.998 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000789974341 1077902692 /nfs/dbraw/zinc/90/26/92/1077902692.db2.gz WRMGMFRSDUWYLD-HKUYNNGSSA-N 1 2 409.571 2.783 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000789974341 1077902694 /nfs/dbraw/zinc/90/26/94/1077902694.db2.gz WRMGMFRSDUWYLD-HKUYNNGSSA-N 1 2 409.571 2.783 20 0 HFADLO CC[C@H]1C[C@H]([N@@H+]2Cc3ncnn3C3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001170207885 1077907038 /nfs/dbraw/zinc/90/70/38/1077907038.db2.gz NIVMTCSTUQDKBE-SJORKVTESA-N 1 2 405.543 2.778 20 0 HFADLO CC[C@H]1C[C@H]([N@H+]2Cc3ncnn3C3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001170207885 1077907040 /nfs/dbraw/zinc/90/70/40/1077907040.db2.gz NIVMTCSTUQDKBE-SJORKVTESA-N 1 2 405.543 2.778 20 0 HFADLO COC(=O)c1c(OC)cc[nH+]c1NC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 ZINC001170208428 1077907475 /nfs/dbraw/zinc/90/74/75/1077907475.db2.gz GSXJOMCJFCMHCF-KGLIPLIRSA-N 1 2 424.494 2.931 20 0 HFADLO COc1ccc(CCS(=O)(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000790027853 1077919219 /nfs/dbraw/zinc/91/92/19/1077919219.db2.gz UUOQXWULKFTHFJ-UHFFFAOYSA-N 1 2 417.575 2.892 20 0 HFADLO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790131047 1077952508 /nfs/dbraw/zinc/95/25/08/1077952508.db2.gz DYJPPXACJNCCEI-LBPRGKRZSA-N 1 2 423.307 2.657 20 0 HFADLO CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)CC1 ZINC001170343255 1077953865 /nfs/dbraw/zinc/95/38/65/1077953865.db2.gz YFCUJPFUFIIWPZ-LJQANCHMSA-N 1 2 421.513 2.668 20 0 HFADLO CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)CC1 ZINC001170343255 1077953866 /nfs/dbraw/zinc/95/38/66/1077953866.db2.gz YFCUJPFUFIIWPZ-LJQANCHMSA-N 1 2 421.513 2.668 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C ZINC000790126623 1077959517 /nfs/dbraw/zinc/95/95/17/1077959517.db2.gz IVZPZMSCCNDKIH-HCXYKTFWSA-N 1 2 409.571 2.734 20 0 HFADLO C[C@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1nnnn1C1CC1 ZINC000790154893 1077960241 /nfs/dbraw/zinc/96/02/41/1077960241.db2.gz YWQBXACOJFMBGZ-BLLLJJGKSA-N 1 2 421.908 2.998 20 0 HFADLO CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000790157900 1077961207 /nfs/dbraw/zinc/96/12/07/1077961207.db2.gz PAYUZUATJCUMRQ-UHFFFAOYSA-N 1 2 418.538 2.561 20 0 HFADLO Cn1c(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)ccc1-c1ccc(F)cc1 ZINC000790157078 1077961389 /nfs/dbraw/zinc/96/13/89/1077961389.db2.gz HPEUAMPWQJGTMV-UHFFFAOYSA-N 1 2 406.461 2.927 20 0 HFADLO Cn1c(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)ccc1-c1ccc(F)cc1 ZINC000790157078 1077961390 /nfs/dbraw/zinc/96/13/90/1077961390.db2.gz HPEUAMPWQJGTMV-UHFFFAOYSA-N 1 2 406.461 2.927 20 0 HFADLO O=S(=O)(C[C@@H]1CCCOC1)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000792751331 1077984845 /nfs/dbraw/zinc/98/48/45/1077984845.db2.gz BHXZLWGNGJTTIK-QGZVFWFLSA-N 1 2 419.547 2.652 20 0 HFADLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCOC2)[C@H]1c1ccc(F)c(F)c1 ZINC000792770155 1077997419 /nfs/dbraw/zinc/99/74/19/1077997419.db2.gz PVJLFIHWACTGJG-ZOCIIQOWSA-N 1 2 402.507 2.835 20 0 HFADLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCOC2)[C@H]1c1ccc(F)c(F)c1 ZINC000792770155 1077997420 /nfs/dbraw/zinc/99/74/20/1077997420.db2.gz PVJLFIHWACTGJG-ZOCIIQOWSA-N 1 2 402.507 2.835 20 0 HFADLO O=C(COC(=O)c1n[nH]c2ccc(Cl)cc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000792810141 1078001297 /nfs/dbraw/zinc/00/12/97/1078001297.db2.gz XLZNVZHKRPUOKZ-UHFFFAOYSA-N 1 2 418.906 2.779 20 0 HFADLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)Nc1ccc(N3C[C@@H](C)O[C@@H](C)C3)cc1)C[C@H](C)O2 ZINC000790385009 1078010686 /nfs/dbraw/zinc/01/06/86/1078010686.db2.gz CZAZCKLNFMQVTE-CPXLJBANSA-N 1 2 417.550 2.507 20 0 HFADLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)Nc1ccc(N3C[C@@H](C)O[C@@H](C)C3)cc1)C[C@H](C)O2 ZINC000790385009 1078010689 /nfs/dbraw/zinc/01/06/89/1078010689.db2.gz CZAZCKLNFMQVTE-CPXLJBANSA-N 1 2 417.550 2.507 20 0 HFADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000792864229 1078010990 /nfs/dbraw/zinc/01/09/90/1078010990.db2.gz ZGTQQSHCIKXQMV-RBUKOAKNSA-N 1 2 417.550 2.649 20 0 HFADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000792864229 1078010996 /nfs/dbraw/zinc/01/09/96/1078010996.db2.gz ZGTQQSHCIKXQMV-RBUKOAKNSA-N 1 2 417.550 2.649 20 0 HFADLO COC(=O)c1c2cnn(C[NH+]3CCC(O)(C(F)F)CC3)c2ccc1Br ZINC000790442534 1078033105 /nfs/dbraw/zinc/03/31/05/1078033105.db2.gz YRLYFERXDNLYSL-UHFFFAOYSA-N 1 2 418.238 2.635 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2nnnn2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000790449996 1078035256 /nfs/dbraw/zinc/03/52/56/1078035256.db2.gz GGRXWAUAUQTVGP-NVGVWMPQSA-N 1 2 421.908 2.996 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2nnnn2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000790449996 1078035260 /nfs/dbraw/zinc/03/52/60/1078035260.db2.gz GGRXWAUAUQTVGP-NVGVWMPQSA-N 1 2 421.908 2.996 20 0 HFADLO Cn1c(CO)nn(C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c1=S ZINC000790453881 1078036317 /nfs/dbraw/zinc/03/63/17/1078036317.db2.gz ZBXJZMFFBKJHDJ-UHFFFAOYSA-N 1 2 411.572 2.514 20 0 HFADLO COC[C@]1(C)CC(=O)N(C[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)C1 ZINC000790455280 1078037098 /nfs/dbraw/zinc/03/70/98/1078037098.db2.gz AOCNKASGNNLABH-JOCHJYFZSA-N 1 2 414.506 2.767 20 0 HFADLO COc1ccccc1-c1nc(C2CC[NH+](CN3C[C@@]4(CCOC4)CC3=O)CC2)no1 ZINC000790456507 1078037452 /nfs/dbraw/zinc/03/74/52/1078037452.db2.gz YJODRXJRMFOPDW-JOCHJYFZSA-N 1 2 412.490 2.521 20 0 HFADLO C[N@@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1Cc1ccccc1 ZINC000790459961 1078038239 /nfs/dbraw/zinc/03/82/39/1078038239.db2.gz LJSNRYBDGCMGPT-CQSZACIVSA-N 1 2 400.331 2.936 20 0 HFADLO C[N@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1Cc1ccccc1 ZINC000790459961 1078038243 /nfs/dbraw/zinc/03/82/43/1078038243.db2.gz LJSNRYBDGCMGPT-CQSZACIVSA-N 1 2 400.331 2.936 20 0 HFADLO Cc1ccn(-c2ccc(NC(=O)C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2)n1 ZINC000792969273 1078038858 /nfs/dbraw/zinc/03/88/58/1078038858.db2.gz QBKGLHDDAIJJCC-UHFFFAOYSA-N 1 2 400.442 2.621 20 0 HFADLO COCC[N@H+](Cn1nc(-c2ccco2)n(CCC(N)=O)c1=S)[C@@H]1CC[C@H](C)C1 ZINC000790478802 1078040660 /nfs/dbraw/zinc/04/06/60/1078040660.db2.gz MHZOIDYLTBYAGS-LSDHHAIUSA-N 1 2 407.540 2.644 20 0 HFADLO COCC[N@@H+](Cn1nc(-c2ccco2)n(CCC(N)=O)c1=S)[C@@H]1CC[C@H](C)C1 ZINC000790478802 1078040664 /nfs/dbraw/zinc/04/06/64/1078040664.db2.gz MHZOIDYLTBYAGS-LSDHHAIUSA-N 1 2 407.540 2.644 20 0 HFADLO Cc1ccccc1CNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806313250 1079565774 /nfs/dbraw/zinc/56/57/74/1079565774.db2.gz LMBGXFXDODUAPV-LJQANCHMSA-N 1 2 402.539 2.832 20 0 HFADLO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C)n1 ZINC000806344795 1079616939 /nfs/dbraw/zinc/61/69/39/1079616939.db2.gz MAPGFMJCSXGJDI-KRWDZBQOSA-N 1 2 403.527 2.857 20 0 HFADLO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)Nc2ccc(C)[nH+]c2N(C)C)s1 ZINC000806360739 1079648399 /nfs/dbraw/zinc/64/83/99/1079648399.db2.gz JPACSSMHQPNLBU-NWDGAFQWSA-N 1 2 405.528 2.655 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806490309 1079739793 /nfs/dbraw/zinc/73/97/93/1079739793.db2.gz FKDVYNGZJUWCDG-IAGOWNOFSA-N 1 2 402.861 2.701 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806490309 1079739800 /nfs/dbraw/zinc/73/98/00/1079739800.db2.gz FKDVYNGZJUWCDG-IAGOWNOFSA-N 1 2 402.861 2.701 20 0 HFADLO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000806537583 1079775663 /nfs/dbraw/zinc/77/56/63/1079775663.db2.gz MJHOTVHCNHKHJZ-MRXNPFEDSA-N 1 2 403.458 2.774 20 0 HFADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000806603885 1079846043 /nfs/dbraw/zinc/84/60/43/1079846043.db2.gz AQYQYNHHQIEAMN-SJLPKXTDSA-N 1 2 421.328 2.609 20 0 HFADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000806603885 1079846055 /nfs/dbraw/zinc/84/60/55/1079846055.db2.gz AQYQYNHHQIEAMN-SJLPKXTDSA-N 1 2 421.328 2.609 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=S)NCc3cccs3)CC2)C1 ZINC000806609563 1079851720 /nfs/dbraw/zinc/85/17/20/1079851720.db2.gz RBYDKKRDKSYFLF-OAHLLOKOSA-N 1 2 410.609 2.750 20 0 HFADLO COc1ccccc1[C@@H](CNC(=O)CSc1n[nH]c(=S)s1)[NH+]1CCCC1 ZINC000747349059 1079975922 /nfs/dbraw/zinc/97/59/22/1079975922.db2.gz BPUQUSVJFAPHCN-CYBMUJFWSA-N 1 2 410.590 2.881 20 0 HFADLO C[C@]1(c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)cc2)NC(=O)NC1=O ZINC000747359698 1080031526 /nfs/dbraw/zinc/03/15/26/1080031526.db2.gz CXNCNDBBGKLEOX-AUSIDOKSSA-N 1 2 424.476 2.874 20 0 HFADLO C[C@]1(c2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)cc2)NC(=O)NC1=O ZINC000747359698 1080031534 /nfs/dbraw/zinc/03/15/34/1080031534.db2.gz CXNCNDBBGKLEOX-AUSIDOKSSA-N 1 2 424.476 2.874 20 0 HFADLO O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000747357619 1080043902 /nfs/dbraw/zinc/04/39/02/1080043902.db2.gz HQYZAFWNBLJVPM-UHFFFAOYSA-N 1 2 419.485 2.765 20 0 HFADLO CCCC[C@H](COC)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806833991 1080048003 /nfs/dbraw/zinc/04/80/03/1080048003.db2.gz RNOVNGBWQKTWOK-MSOLQXFVSA-N 1 2 412.575 2.528 20 0 HFADLO Cn1cc[nH+]c1C[C@H](NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)c1ccccc1 ZINC000806922074 1080091099 /nfs/dbraw/zinc/09/10/99/1080091099.db2.gz VOSDOYURVYIJCQ-IBGZPJMESA-N 1 2 406.486 2.686 20 0 HFADLO CCC1(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCOCC1 ZINC000806893978 1080101412 /nfs/dbraw/zinc/10/14/12/1080101412.db2.gz HSXYMZSOAFFKDT-SFHVURJKSA-N 1 2 424.586 2.530 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CCCC[C@@H]3COC(=O)NC(C)C)[nH+]c12 ZINC000806898746 1080104979 /nfs/dbraw/zinc/10/49/79/1080104979.db2.gz MENYUXWZGFSMFC-GOSISDBHSA-N 1 2 401.511 2.884 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCCC1CCC1 ZINC000807040242 1080200299 /nfs/dbraw/zinc/20/02/99/1080200299.db2.gz OJWQSXGIAPGQOT-UWJYYQICSA-N 1 2 400.567 2.755 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCCC1CCC1 ZINC000807040242 1080200308 /nfs/dbraw/zinc/20/03/08/1080200308.db2.gz OJWQSXGIAPGQOT-UWJYYQICSA-N 1 2 400.567 2.755 20 0 HFADLO Cc1ccncc1[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000807066413 1080248459 /nfs/dbraw/zinc/24/84/59/1080248459.db2.gz WUXHIHDKANTQST-MSOLQXFVSA-N 1 2 417.554 2.788 20 0 HFADLO Cc1ccsc1CCNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807070209 1080253166 /nfs/dbraw/zinc/25/31/66/1080253166.db2.gz KNHVJSGJYAUYHI-KRWDZBQOSA-N 1 2 422.595 2.936 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCc3ccc(Cl)cn3)CC2)C1 ZINC000807074430 1080256437 /nfs/dbraw/zinc/25/64/37/1080256437.db2.gz NXFJBIGPSUFRBM-KRWDZBQOSA-N 1 2 423.945 2.572 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000807104634 1080283290 /nfs/dbraw/zinc/28/32/90/1080283290.db2.gz JNRKHVAVZQAIES-JBYIUTFZSA-N 1 2 424.586 2.528 20 0 HFADLO COC1(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCCCC1 ZINC000807137181 1080298301 /nfs/dbraw/zinc/29/83/01/1080298301.db2.gz ZBMMLVBUJRDIQN-SFHVURJKSA-N 1 2 424.586 2.672 20 0 HFADLO CC/C(=C/C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1ccc(OC)cc1 ZINC000747378747 1080408779 /nfs/dbraw/zinc/40/87/79/1080408779.db2.gz BXOMBXSEDRORCD-SSZFMOIBSA-N 1 2 406.490 2.514 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000807282644 1080442176 /nfs/dbraw/zinc/44/21/76/1080442176.db2.gz PFLRYMMOVKSHFD-OAQYLSRUSA-N 1 2 418.453 2.915 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000807283358 1080443845 /nfs/dbraw/zinc/44/38/45/1080443845.db2.gz GZWPTECPQJCVOD-OXJNMPFZSA-N 1 2 405.454 2.576 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000807284368 1080445663 /nfs/dbraw/zinc/44/56/63/1080445663.db2.gz LYWVDNGIPKXUCZ-OAHLLOKOSA-N 1 2 422.272 2.656 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1csc2ccc(Br)cc12 ZINC000807285547 1080447721 /nfs/dbraw/zinc/44/77/21/1080447721.db2.gz XYXZUDRHFSKIPH-AWEZNQCLSA-N 1 2 422.304 2.761 20 0 HFADLO CC[C@@H](NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1nccs1 ZINC000807256389 1080461697 /nfs/dbraw/zinc/46/16/97/1080461697.db2.gz RGJRJFMNLODROY-GOSISDBHSA-N 1 2 415.563 2.562 20 0 HFADLO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000747399544 1080727992 /nfs/dbraw/zinc/72/79/92/1080727992.db2.gz APTIHTSWJADTTE-QLFBSQMISA-N 1 2 400.479 2.561 20 0 HFADLO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000747399549 1080729002 /nfs/dbraw/zinc/72/90/02/1080729002.db2.gz APTIHTSWJADTTE-RRFJBIMHSA-N 1 2 400.479 2.561 20 0 HFADLO CSCc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000807537812 1080753149 /nfs/dbraw/zinc/75/31/49/1080753149.db2.gz RHUICNDDOYYITO-SFHVURJKSA-N 1 2 422.595 2.900 20 0 HFADLO CSCc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000807537812 1080753157 /nfs/dbraw/zinc/75/31/57/1080753157.db2.gz RHUICNDDOYYITO-SFHVURJKSA-N 1 2 422.595 2.900 20 0 HFADLO C[C@H](CNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O)Cn1cc[nH+]c1 ZINC000747401525 1080764608 /nfs/dbraw/zinc/76/46/08/1080764608.db2.gz YZRNOMMKKWUMSX-OAHLLOKOSA-N 1 2 407.499 2.774 20 0 HFADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NCc3c(C)cccc3F)CC2)c1 ZINC000807519154 1080772355 /nfs/dbraw/zinc/77/23/55/1080772355.db2.gz YBVSMLVJHCLPIU-KRWDZBQOSA-N 1 2 413.493 2.664 20 0 HFADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001560100365 1126207692 /nfs/dbraw/zinc/20/76/92/1126207692.db2.gz JTUILVJOSNLMPY-VQIMIIECSA-N 1 2 405.424 2.903 20 0 HFADLO COC1(c2nc(C3CCOCC3)no2)CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000565436038 568417893 /nfs/dbraw/zinc/41/78/93/568417893.db2.gz HXJUWHOMDCQOKE-UHFFFAOYSA-N 1 2 415.450 2.744 20 0 HFADLO O=C(c1cccnc1N1CC[C@]2(CCOC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164389485 718807367 /nfs/dbraw/zinc/80/73/67/718807367.db2.gz JBYPCLWLPHZIAQ-DEOSSOPVSA-N 1 2 406.530 2.656 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C(C)C)nc(C(C)(C)C)n3)CC2)C1=O ZINC001164644961 719282017 /nfs/dbraw/zinc/28/20/17/719282017.db2.gz YAVYKWOFRAMXHS-UHFFFAOYSA-N 1 2 417.598 2.657 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C(C)C)nc(C(C)(C)C)n3)CC2)C1=O ZINC001164644961 719282019 /nfs/dbraw/zinc/28/20/19/719282019.db2.gz YAVYKWOFRAMXHS-UHFFFAOYSA-N 1 2 417.598 2.657 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4c(Cl)ccc(F)c4n3)CC2)C1=O ZINC001164644864 719284087 /nfs/dbraw/zinc/28/40/87/719284087.db2.gz UYZKZQYNUGJRFX-UHFFFAOYSA-N 1 2 420.916 2.787 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4c(Cl)ccc(F)c4n3)CC2)C1=O ZINC001164644864 719284090 /nfs/dbraw/zinc/28/40/90/719284090.db2.gz UYZKZQYNUGJRFX-UHFFFAOYSA-N 1 2 420.916 2.787 20 0 HFADLO COc1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1OC ZINC001164672990 719506388 /nfs/dbraw/zinc/50/63/88/719506388.db2.gz LWVYKOQBSHBLFK-UHFFFAOYSA-N 1 2 402.470 2.504 20 0 HFADLO COc1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1OC ZINC001164672990 719506396 /nfs/dbraw/zinc/50/63/96/719506396.db2.gz LWVYKOQBSHBLFK-UHFFFAOYSA-N 1 2 402.470 2.504 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2c(Cl)cccc2n1 ZINC001164701623 719849554 /nfs/dbraw/zinc/84/95/54/719849554.db2.gz MOHKNJIJFGDTNC-VBKZILBWSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(C)cc2)nn1 ZINC001164706767 719866971 /nfs/dbraw/zinc/86/69/71/719866971.db2.gz QLHGIEQFTIHZQX-CVDCTZTESA-N 1 2 410.518 2.685 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(C)(C)C)nc(Cl)c1C ZINC001164702301 719867335 /nfs/dbraw/zinc/86/73/35/719867335.db2.gz IDYPWTQXEFTMJS-YCRPNKLZSA-N 1 2 424.973 2.969 20 0 HFADLO CCc1nc(Cl)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(Cl)n1 ZINC001164707230 719871165 /nfs/dbraw/zinc/87/11/65/719871165.db2.gz RQBXJHMHBMWADD-KZULUSFZSA-N 1 2 417.337 2.579 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc(F)c2)nn1 ZINC001164699931 719872276 /nfs/dbraw/zinc/87/22/76/719872276.db2.gz CYUQEVXWGHMDPM-PGRDOPGGSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(-c2ccc(F)cc2)n1 ZINC001164707248 719877699 /nfs/dbraw/zinc/87/76/99/719877699.db2.gz RUGMOWUKUNSGHK-XMSQKQJNSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C2CCC2)nc(Cl)c1C ZINC001164699113 719877791 /nfs/dbraw/zinc/87/77/91/719877791.db2.gz ADTLAHLPCMPEEW-KKSFZXQISA-N 1 2 422.957 2.939 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)ncc4F)CC3)C2=O)cs1 ZINC001164824882 720367595 /nfs/dbraw/zinc/36/75/95/720367595.db2.gz PFWVNWWPSNVCPI-UHFFFAOYSA-N 1 2 423.945 2.952 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)ncc4F)CC3)C2=O)cs1 ZINC001164824882 720367602 /nfs/dbraw/zinc/36/76/02/720367602.db2.gz PFWVNWWPSNVCPI-UHFFFAOYSA-N 1 2 423.945 2.952 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5cccnc5n4)CC3)C2=O)cs1 ZINC001164824863 720368741 /nfs/dbraw/zinc/36/87/41/720368741.db2.gz OVLSBHDBVKJAJW-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5cccnc5n4)CC3)C2=O)cs1 ZINC001164824863 720368748 /nfs/dbraw/zinc/36/87/48/720368748.db2.gz OVLSBHDBVKJAJW-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(F)c4C)CC3)C2=O)cs1 ZINC001164820929 720372900 /nfs/dbraw/zinc/37/29/00/720372900.db2.gz USQQXTNQRLYBPG-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(F)c4C)CC3)C2=O)cs1 ZINC001164820929 720372905 /nfs/dbraw/zinc/37/29/05/720372905.db2.gz USQQXTNQRLYBPG-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO CCOc1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164822281 720383221 /nfs/dbraw/zinc/38/32/21/720383221.db2.gz LDOIKJWSUSOXAZ-UHFFFAOYSA-N 1 2 415.563 2.558 20 0 HFADLO CCOc1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164822281 720383223 /nfs/dbraw/zinc/38/32/23/720383223.db2.gz LDOIKJWSUSOXAZ-UHFFFAOYSA-N 1 2 415.563 2.558 20 0 HFADLO COc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc(Cl)n1 ZINC001164755819 720982055 /nfs/dbraw/zinc/98/20/55/720982055.db2.gz CACVPRWIOZAYRD-ZDUSSCGKSA-N 1 2 413.856 2.943 20 0 HFADLO FC(F)(c1cc(Cl)ncn1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164768490 721271333 /nfs/dbraw/zinc/27/13/33/721271333.db2.gz UWSLCACVRYRUQY-ZDUSSCGKSA-N 1 2 406.824 2.982 20 0 HFADLO CCCN(CCC)c1cncc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165009689 721709933 /nfs/dbraw/zinc/70/99/33/721709933.db2.gz VJZMLXFSPXCPBC-UHFFFAOYSA-N 1 2 400.575 2.945 20 0 HFADLO CCCN(CCC)c1cncc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165009689 721709938 /nfs/dbraw/zinc/70/99/38/721709938.db2.gz VJZMLXFSPXCPBC-UHFFFAOYSA-N 1 2 400.575 2.945 20 0 HFADLO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165009849 721710110 /nfs/dbraw/zinc/71/01/10/721710110.db2.gz WIXURFMHDRVTGG-SREVYHEPSA-N 1 2 423.521 2.591 20 0 HFADLO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165009849 721710115 /nfs/dbraw/zinc/71/01/15/721710115.db2.gz WIXURFMHDRVTGG-SREVYHEPSA-N 1 2 423.521 2.591 20 0 HFADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164912085 721778380 /nfs/dbraw/zinc/77/83/80/721778380.db2.gz KBOZGASSRUEUAR-DEOSSOPVSA-N 1 2 420.513 2.746 20 0 HFADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164912085 721778381 /nfs/dbraw/zinc/77/83/81/721778381.db2.gz KBOZGASSRUEUAR-DEOSSOPVSA-N 1 2 420.513 2.746 20 0 HFADLO CCOc1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164915145 721780847 /nfs/dbraw/zinc/78/08/47/721780847.db2.gz IOGQXIDYBNXETB-OAQYLSRUSA-N 1 2 418.925 2.637 20 0 HFADLO CCOc1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164915145 721780850 /nfs/dbraw/zinc/78/08/50/721780850.db2.gz IOGQXIDYBNXETB-OAQYLSRUSA-N 1 2 418.925 2.637 20 0 HFADLO c1csc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914623 721787878 /nfs/dbraw/zinc/78/78/78/721787878.db2.gz FOQLEIKFIYPBAS-JOCHJYFZSA-N 1 2 423.542 2.708 20 0 HFADLO c1csc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914623 721787880 /nfs/dbraw/zinc/78/78/80/721787880.db2.gz FOQLEIKFIYPBAS-JOCHJYFZSA-N 1 2 423.542 2.708 20 0 HFADLO CC(C)COc1cccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916073 721792005 /nfs/dbraw/zinc/79/20/05/721792005.db2.gz OUBWNCNHMDAETQ-QHCPKHFHSA-N 1 2 412.534 2.619 20 0 HFADLO CC(C)COc1cccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916073 721792007 /nfs/dbraw/zinc/79/20/07/721792007.db2.gz OUBWNCNHMDAETQ-QHCPKHFHSA-N 1 2 412.534 2.619 20 0 HFADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C(C)(C)C)n1 ZINC001164915243 721796071 /nfs/dbraw/zinc/79/60/71/721796071.db2.gz UNIAWQDSVROPGY-QHCPKHFHSA-N 1 2 411.550 2.585 20 0 HFADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C(C)(C)C)n1 ZINC001164915243 721796073 /nfs/dbraw/zinc/79/60/73/721796073.db2.gz UNIAWQDSVROPGY-QHCPKHFHSA-N 1 2 411.550 2.585 20 0 HFADLO COC(=O)c1cccc2nc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)ccc21 ZINC001164918136 721820589 /nfs/dbraw/zinc/82/05/89/721820589.db2.gz BUONWHXCJZYCMM-UHFFFAOYSA-N 1 2 405.502 2.967 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(C(N)=S)c3ccsc32)CC1 ZINC001164919909 721822233 /nfs/dbraw/zinc/82/22/33/721822233.db2.gz XTBVOPKYRRANPY-UHFFFAOYSA-N 1 2 412.588 2.877 20 0 HFADLO COc1cc2c[nH+]c(N3C[C@H]4OCCN(Cc5c(C)noc5C)[C@H]4C3)cc2cc1OC ZINC001164942866 721958227 /nfs/dbraw/zinc/95/82/27/721958227.db2.gz GEPITSGGXIHMTI-SIKLNZKXSA-N 1 2 424.501 2.946 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164943725 721971975 /nfs/dbraw/zinc/97/19/75/721971975.db2.gz CJDGZJMSINSVSB-FQEVSTJZSA-N 1 2 418.900 2.834 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN([C@H](F)Oc1ccnc(Cl)c1)CC2 ZINC001164943725 721971978 /nfs/dbraw/zinc/97/19/78/721971978.db2.gz CJDGZJMSINSVSB-FQEVSTJZSA-N 1 2 418.900 2.834 20 0 HFADLO COc1ccc2ncc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2c1 ZINC001164947734 721974411 /nfs/dbraw/zinc/97/44/11/721974411.db2.gz RSCKARQWOJBFDH-UHFFFAOYSA-N 1 2 417.513 2.609 20 0 HFADLO COc1ccc2ncc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2c1 ZINC001164947734 721974413 /nfs/dbraw/zinc/97/44/13/721974413.db2.gz RSCKARQWOJBFDH-UHFFFAOYSA-N 1 2 417.513 2.609 20 0 HFADLO COc1ccc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945799 721974556 /nfs/dbraw/zinc/97/45/56/721974556.db2.gz GDPLRDCGRUMOAE-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO COc1ccc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945799 721974558 /nfs/dbraw/zinc/97/45/58/721974558.db2.gz GDPLRDCGRUMOAE-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO CCOC(=O)c1c(C)ccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946056 721976966 /nfs/dbraw/zinc/97/69/66/721976966.db2.gz JECOFCPCCRWCMP-UHFFFAOYSA-N 1 2 422.529 2.538 20 0 HFADLO CCOC(=O)c1c(C)ccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946056 721976968 /nfs/dbraw/zinc/97/69/68/721976968.db2.gz JECOFCPCCRWCMP-UHFFFAOYSA-N 1 2 422.529 2.538 20 0 HFADLO COC(=O)c1ccc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)nc1Cl ZINC001165053217 722010228 /nfs/dbraw/zinc/01/02/28/722010228.db2.gz BMAWBURCSAYZBN-UHFFFAOYSA-N 1 2 410.852 2.826 20 0 HFADLO O=C1CN(/C=C/c2ccccc2)C(=O)N1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000790465763 1078044711 /nfs/dbraw/zinc/04/47/11/1078044711.db2.gz MLOSNMUBYOQLPO-MDWZMJQESA-N 1 2 410.449 2.957 20 0 HFADLO O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000790467555 1078045360 /nfs/dbraw/zinc/04/53/60/1078045360.db2.gz PFFDQJXWSOBWIU-QHCPKHFHSA-N 1 2 424.476 2.501 20 0 HFADLO CC[NH+](CC)Cc1nc(C2(NC(=O)C(F)(F)C3CCOCC3)CCCC2)no1 ZINC000790506453 1078047515 /nfs/dbraw/zinc/04/75/15/1078047515.db2.gz QQAOPEAMWACNQJ-UHFFFAOYSA-N 1 2 400.470 2.859 20 0 HFADLO C[C@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1nnnn1C1CC1 ZINC000790534544 1078053026 /nfs/dbraw/zinc/05/30/26/1078053026.db2.gz QPMTXNMVDAWXGL-LRDDRELGSA-N 1 2 408.428 2.869 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cn3ccc4ccccc4c3=O)CC2)cc1 ZINC000790557920 1078055563 /nfs/dbraw/zinc/05/55/63/1078055563.db2.gz CZFGDRUINYAEFA-UHFFFAOYSA-N 1 2 404.514 2.853 20 0 HFADLO O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@H]1CC(c2cccnc2)=NO1 ZINC000790584698 1078061813 /nfs/dbraw/zinc/06/18/13/1078061813.db2.gz WHADXWQMAPWHOP-HXUWFJFHSA-N 1 2 415.457 2.850 20 0 HFADLO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)C2=O)cc1OC ZINC000790587374 1078062254 /nfs/dbraw/zinc/06/22/54/1078062254.db2.gz SJNNNGKDJODRIG-XLWVJDPXSA-N 1 2 413.301 2.851 20 0 HFADLO COc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)C2=O)cc1OC ZINC000790587374 1078062259 /nfs/dbraw/zinc/06/22/59/1078062259.db2.gz SJNNNGKDJODRIG-XLWVJDPXSA-N 1 2 413.301 2.851 20 0 HFADLO C[C@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3cnn(-c4ccccc4)n3)c2)C1=O ZINC000790606780 1078062408 /nfs/dbraw/zinc/06/24/08/1078062408.db2.gz BJESNCDQDUZPBE-HSZRJFAPSA-N 1 2 416.485 2.782 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc3oc(=O)ccc3c2)[C@@H]1c1c[nH+]cn1C ZINC000793130242 1078073246 /nfs/dbraw/zinc/07/32/46/1078073246.db2.gz BTPAAGKVYSBLHG-IIBYNOLFSA-N 1 2 408.458 2.855 20 0 HFADLO CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)OCCc2c[nH+]cn2C)c1 ZINC000793243280 1078108862 /nfs/dbraw/zinc/10/88/62/1078108862.db2.gz SLSYNFICDGFSGL-UHFFFAOYSA-N 1 2 405.520 2.773 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)CCCOc1ccc(I)cc1 ZINC000793250681 1078110384 /nfs/dbraw/zinc/11/03/84/1078110384.db2.gz BBQYSWWMBJDFIA-UHFFFAOYSA-N 1 2 414.243 2.970 20 0 HFADLO COC(=O)CCc1c(C)nn(-c2ccc(C(=O)OCCc3c[nH+]cn3C)cc2)c1C ZINC000793255364 1078111740 /nfs/dbraw/zinc/11/17/40/1078111740.db2.gz JSKLQLGVXDXQEH-UHFFFAOYSA-N 1 2 410.474 2.728 20 0 HFADLO COc1ccc(S(=O)(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c(F)c1 ZINC000790850097 1078148628 /nfs/dbraw/zinc/14/86/28/1078148628.db2.gz DLSXKNCPUOLOGP-UHFFFAOYSA-N 1 2 407.511 2.848 20 0 HFADLO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001170431543 1078163839 /nfs/dbraw/zinc/16/38/39/1078163839.db2.gz KYCVVLDLFDYYQG-SFHVURJKSA-N 1 2 420.506 2.882 20 0 HFADLO CC(C)Oc1ncccc1C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793465067 1078180576 /nfs/dbraw/zinc/18/05/76/1078180576.db2.gz LGDJCTZLUFDMAR-UHFFFAOYSA-N 1 2 406.527 2.541 20 0 HFADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793492918 1078201047 /nfs/dbraw/zinc/20/10/47/1078201047.db2.gz YJPSQASFEZLRBW-ROUUACIJSA-N 1 2 401.426 2.865 20 0 HFADLO CCOC1(C)CC[NH+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000793543292 1078207130 /nfs/dbraw/zinc/20/71/30/1078207130.db2.gz QAWBAWYBOQLBOE-UHFFFAOYSA-N 1 2 424.295 2.593 20 0 HFADLO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)C1 ZINC000793597417 1078219836 /nfs/dbraw/zinc/21/98/36/1078219836.db2.gz KTVTXQYCPDLAGV-PNLZDCPESA-N 1 2 413.518 2.507 20 0 HFADLO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)C1 ZINC000793597417 1078219840 /nfs/dbraw/zinc/21/98/40/1078219840.db2.gz KTVTXQYCPDLAGV-PNLZDCPESA-N 1 2 413.518 2.507 20 0 HFADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000793616454 1078228909 /nfs/dbraw/zinc/22/89/09/1078228909.db2.gz VPBYNFUVTZGKRI-KRWDZBQOSA-N 1 2 423.579 2.695 20 0 HFADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000793616454 1078228913 /nfs/dbraw/zinc/22/89/13/1078228913.db2.gz VPBYNFUVTZGKRI-KRWDZBQOSA-N 1 2 423.579 2.695 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N[C@@H](C)C[C@H](O)c2ccccc2)[C@@H]1c1c[nH+]cn1C ZINC000793645087 1078240017 /nfs/dbraw/zinc/24/00/17/1078240017.db2.gz MXSDLQQXBWEGRU-PBNJOUANSA-N 1 2 412.534 2.738 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)[C@@H]1c1c[nH+]cn1C ZINC000793645082 1078240045 /nfs/dbraw/zinc/24/00/45/1078240045.db2.gz MXSDLQQXBWEGRU-HKBKIPCKSA-N 1 2 412.534 2.738 20 0 HFADLO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000793655461 1078259062 /nfs/dbraw/zinc/25/90/62/1078259062.db2.gz JBEVRVGVWSNVOZ-KPOBHBOGSA-N 1 2 415.921 2.571 20 0 HFADLO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000793655461 1078259064 /nfs/dbraw/zinc/25/90/64/1078259064.db2.gz JBEVRVGVWSNVOZ-KPOBHBOGSA-N 1 2 415.921 2.571 20 0 HFADLO C[C@@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793721936 1078265809 /nfs/dbraw/zinc/26/58/09/1078265809.db2.gz OFIAVJJSDYRQSK-AUSIDOKSSA-N 1 2 408.502 2.825 20 0 HFADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000793721575 1078266200 /nfs/dbraw/zinc/26/62/00/1078266200.db2.gz XWVFUNKAKOGOBM-QFIPXVFZSA-N 1 2 418.497 2.773 20 0 HFADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000793690826 1078269299 /nfs/dbraw/zinc/26/92/99/1078269299.db2.gz VTLRTCQPTNCGTJ-KRWDZBQOSA-N 1 2 404.511 2.811 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000793748655 1078290199 /nfs/dbraw/zinc/29/01/99/1078290199.db2.gz FTIRPQSBWVAZKW-SFHVURJKSA-N 1 2 412.440 2.930 20 0 HFADLO CN(C)c1cc[nH+]c(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 ZINC000793807250 1078305578 /nfs/dbraw/zinc/30/55/78/1078305578.db2.gz FUFDSTWARKKLHB-QZTJIDSGSA-N 1 2 405.458 2.678 20 0 HFADLO C[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)c1nc2ccccc2s1 ZINC000793859884 1078325933 /nfs/dbraw/zinc/32/59/33/1078325933.db2.gz HGVFNJCLLLIXBX-CYBMUJFWSA-N 1 2 414.556 2.710 20 0 HFADLO C[C@@H](NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)c1nc2ccccc2s1 ZINC000793859884 1078325936 /nfs/dbraw/zinc/32/59/36/1078325936.db2.gz HGVFNJCLLLIXBX-CYBMUJFWSA-N 1 2 414.556 2.710 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NCC[C@](C)(O)c2ccccc2)[C@@H]1c1c[nH+]cn1C ZINC000793884964 1078326284 /nfs/dbraw/zinc/32/62/84/1078326284.db2.gz LZEJHHRAFAJUDH-AAIMPIBUSA-N 1 2 412.534 2.524 20 0 HFADLO C[C@H]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000793938202 1078352103 /nfs/dbraw/zinc/35/21/03/1078352103.db2.gz RGVALHKKBDOFDC-ROUUACIJSA-N 1 2 400.567 2.780 20 0 HFADLO Cn1cc(S(=O)(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)nc1Cl ZINC000794068361 1078367994 /nfs/dbraw/zinc/36/79/94/1078367994.db2.gz CEEIOCWZLJFGGS-UHFFFAOYSA-N 1 2 403.895 2.832 20 0 HFADLO CON(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c1 ZINC000794214260 1078394296 /nfs/dbraw/zinc/39/42/96/1078394296.db2.gz RUZSOLVHGUEJNE-UHFFFAOYSA-N 1 2 400.460 2.819 20 0 HFADLO O=C(NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1)C1=COCC1 ZINC000794348815 1078422130 /nfs/dbraw/zinc/42/21/30/1078422130.db2.gz SYNYOZMAQPXWLJ-MRXNPFEDSA-N 1 2 412.271 2.676 20 0 HFADLO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1)C1=COCC1 ZINC000794348815 1078422132 /nfs/dbraw/zinc/42/21/32/1078422132.db2.gz SYNYOZMAQPXWLJ-MRXNPFEDSA-N 1 2 412.271 2.676 20 0 HFADLO CN(C(=O)c1ccc(F)c(S(C)(=O)=O)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129800692 1078476794 /nfs/dbraw/zinc/47/67/94/1078476794.db2.gz QYBLAMRFRNTYNL-UHFFFAOYSA-N 1 2 410.433 2.718 20 0 HFADLO CCOC(=O)N1[C@H](C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC[C@H]1c1ccc(C)o1 ZINC000804435990 1078479014 /nfs/dbraw/zinc/47/90/14/1078479014.db2.gz LBMKZBDDUIHLPM-NQYYFHDYSA-N 1 2 419.522 2.572 20 0 HFADLO CCOCCC(=O)Nc1ccccc1OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001129509791 1078502143 /nfs/dbraw/zinc/50/21/43/1078502143.db2.gz IFVXHWDPOMNEHR-UHFFFAOYSA-N 1 2 421.538 2.983 20 0 HFADLO CCNc1nc(N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000804693082 1078532736 /nfs/dbraw/zinc/53/27/36/1078532736.db2.gz BJBUGTMRLKUJLM-FQEVSTJZSA-N 1 2 407.563 2.677 20 0 HFADLO CCC[C@H](NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccn1 ZINC000804701325 1078543193 /nfs/dbraw/zinc/54/31/93/1078543193.db2.gz FJZSHMGEBKRJOT-QFIPXVFZSA-N 1 2 423.561 2.890 20 0 HFADLO Cn1c[nH+]c(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC001129538340 1078550356 /nfs/dbraw/zinc/55/03/56/1078550356.db2.gz NEPOPPOESOEFKM-UHFFFAOYSA-N 1 2 424.954 2.611 20 0 HFADLO Cc1cccnc1/C=C/C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760232 1078610028 /nfs/dbraw/zinc/61/00/28/1078610028.db2.gz IEOJWUUTVNCEHJ-DVBCCOPCSA-N 1 2 400.523 2.557 20 0 HFADLO C[C@@H]1CCCC[C@H]1OCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760785 1078613129 /nfs/dbraw/zinc/61/31/29/1078613129.db2.gz OQEZSPWPOXQMQX-CEXWTWQISA-N 1 2 409.571 2.735 20 0 HFADLO COc1cccc([C@H](CNC(=O)CSc2n[nH]c(=S)s2)[NH+]2CCCC2)c1 ZINC000747199961 1078638667 /nfs/dbraw/zinc/63/86/67/1078638667.db2.gz LCOYOJXYFJUZHH-AWEZNQCLSA-N 1 2 410.590 2.881 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC001129698297 1078657008 /nfs/dbraw/zinc/65/70/08/1078657008.db2.gz FROJGEACTCLUQK-UHFFFAOYSA-N 1 2 405.720 2.522 20 0 HFADLO CN(C(=O)C1(S(=O)(=O)c2ccccc2)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129678499 1078666119 /nfs/dbraw/zinc/66/61/19/1078666119.db2.gz ALLCGRMVUSAXAS-UHFFFAOYSA-N 1 2 418.481 2.868 20 0 HFADLO COC(=O)Nc1cccc(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000804869919 1078693292 /nfs/dbraw/zinc/69/32/92/1078693292.db2.gz IMRSUNNIBRBXQK-UHFFFAOYSA-N 1 2 412.490 2.697 20 0 HFADLO Cc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804892270 1078750624 /nfs/dbraw/zinc/75/06/24/1078750624.db2.gz BUMINDQENWFWTF-LJQANCHMSA-N 1 2 402.539 2.832 20 0 HFADLO Cc1noc(C)c1[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805112622 1078897766 /nfs/dbraw/zinc/89/77/66/1078897766.db2.gz NMKAHPZFQLWNTN-PBHICJAKSA-N 1 2 421.542 2.689 20 0 HFADLO CCc1nc(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cs1 ZINC000805087943 1078916155 /nfs/dbraw/zinc/91/61/55/1078916155.db2.gz RIFPOWSJIAMYOW-INIZCTEOSA-N 1 2 423.583 2.542 20 0 HFADLO C[C@H]([C@H](C)NC(=O)N1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)[NH+]1CCOCC1 ZINC000805136863 1078933191 /nfs/dbraw/zinc/93/31/91/1078933191.db2.gz KMHYEWZTSBLMNH-NJNPRVFISA-N 1 2 424.586 2.528 20 0 HFADLO Cc1cnc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC000805173032 1078958383 /nfs/dbraw/zinc/95/83/83/1078958383.db2.gz XISJBCPCKQXTNK-HOTGVXAUSA-N 1 2 423.583 2.849 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c(Cl)cc1Cl ZINC000747235150 1078980073 /nfs/dbraw/zinc/98/00/73/1078980073.db2.gz KEPPICJRWRUOPE-CYBMUJFWSA-N 1 2 421.302 2.954 20 0 HFADLO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000747235173 1078999828 /nfs/dbraw/zinc/99/98/28/1078999828.db2.gz KUDXIXGCRKXJLY-UZRURVBFSA-N 1 2 418.515 2.971 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)N[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000805314161 1079033447 /nfs/dbraw/zinc/03/34/47/1079033447.db2.gz LMUJLFDPYCLPKJ-IIBYNOLFSA-N 1 2 403.527 2.631 20 0 HFADLO C[C@@H](C[NH+](C)C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC000805428199 1079058804 /nfs/dbraw/zinc/05/88/04/1079058804.db2.gz FDAPCBALSPFJHW-HNNXBMFYSA-N 1 2 410.543 2.608 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000805476925 1079092213 /nfs/dbraw/zinc/09/22/13/1079092213.db2.gz AXLMYFSAHIHYHN-IINYFYTJSA-N 1 2 408.804 2.950 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000805476925 1079092214 /nfs/dbraw/zinc/09/22/14/1079092214.db2.gz AXLMYFSAHIHYHN-IINYFYTJSA-N 1 2 408.804 2.950 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(I)c(Cl)c2)C1 ZINC000805478127 1079092624 /nfs/dbraw/zinc/09/26/24/1079092624.db2.gz QWMDGHIWZBNERE-ZDUSSCGKSA-N 1 2 409.651 2.709 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(I)c(Cl)c2)C1 ZINC000805478127 1079092626 /nfs/dbraw/zinc/09/26/26/1079092626.db2.gz QWMDGHIWZBNERE-ZDUSSCGKSA-N 1 2 409.651 2.709 20 0 HFADLO CCc1ccc([C@H](NC(=O)COC(=O)[C@@H]2C[N@H+](CC)CCO2)c2cccs2)cc1 ZINC000805479107 1079093049 /nfs/dbraw/zinc/09/30/49/1079093049.db2.gz JRWJDODKXZKDDU-RXVVDRJESA-N 1 2 416.543 2.780 20 0 HFADLO CCc1ccc([C@H](NC(=O)COC(=O)[C@@H]2C[N@@H+](CC)CCO2)c2cccs2)cc1 ZINC000805479107 1079093054 /nfs/dbraw/zinc/09/30/54/1079093054.db2.gz JRWJDODKXZKDDU-RXVVDRJESA-N 1 2 416.543 2.780 20 0 HFADLO C[C@@H](CNC(=O)c1cccc(F)c1I)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259531 1079148288 /nfs/dbraw/zinc/14/82/88/1079148288.db2.gz GGRROGBXDLXXRO-SDDRHHMPSA-N 1 2 420.266 2.658 20 0 HFADLO C[C@@H](CNC(=O)c1cccc(F)c1I)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259531 1079148292 /nfs/dbraw/zinc/14/82/92/1079148292.db2.gz GGRROGBXDLXXRO-SDDRHHMPSA-N 1 2 420.266 2.658 20 0 HFADLO COc1ccc(OC)c([C@H](O)C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788410 1079255084 /nfs/dbraw/zinc/25/50/84/1079255084.db2.gz NFPGYKFRNVYJNW-VGWHQZGPSA-N 1 2 404.429 2.515 20 0 HFADLO COc1ccc(OC)c([C@H](O)C[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788410 1079255088 /nfs/dbraw/zinc/25/50/88/1079255088.db2.gz NFPGYKFRNVYJNW-VGWHQZGPSA-N 1 2 404.429 2.515 20 0 HFADLO CNC(=O)Cc1nc(C[N@@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cs1 ZINC000805795200 1079259807 /nfs/dbraw/zinc/25/98/07/1079259807.db2.gz IQVASUCONIGOQQ-FQEVSTJZSA-N 1 2 408.568 2.655 20 0 HFADLO CNC(=O)Cc1nc(C[N@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cs1 ZINC000805795200 1079259812 /nfs/dbraw/zinc/25/98/12/1079259812.db2.gz IQVASUCONIGOQQ-FQEVSTJZSA-N 1 2 408.568 2.655 20 0 HFADLO NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826642 1079296068 /nfs/dbraw/zinc/29/60/68/1079296068.db2.gz FUKWHRIORRNQOZ-QGZVFWFLSA-N 1 2 416.522 2.637 20 0 HFADLO NC(=O)c1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826642 1079296074 /nfs/dbraw/zinc/29/60/74/1079296074.db2.gz FUKWHRIORRNQOZ-QGZVFWFLSA-N 1 2 416.522 2.637 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1CCn1ccccc1=O ZINC000805829266 1079298794 /nfs/dbraw/zinc/29/87/94/1079298794.db2.gz JEARSZMDODLNOQ-LPHOPBHVSA-N 1 2 423.435 2.741 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1CCn1ccccc1=O ZINC000805829266 1079298798 /nfs/dbraw/zinc/29/87/98/1079298798.db2.gz JEARSZMDODLNOQ-LPHOPBHVSA-N 1 2 423.435 2.741 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1C[C@H](O)COC(C)C ZINC000805829936 1079300121 /nfs/dbraw/zinc/30/01/21/1079300121.db2.gz UIXBXMXDCODJRU-ZVZYQTTQSA-N 1 2 418.456 2.665 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1C[C@H](O)COC(C)C ZINC000805829936 1079300125 /nfs/dbraw/zinc/30/01/25/1079300125.db2.gz UIXBXMXDCODJRU-ZVZYQTTQSA-N 1 2 418.456 2.665 20 0 HFADLO Cc1csc2nc(COC(=O)C3CC[NH+](Cc4csc(C)n4)CC3)cc(=O)n12 ZINC000805863294 1079309288 /nfs/dbraw/zinc/30/92/88/1079309288.db2.gz YKWWLDLJATUYAQ-UHFFFAOYSA-N 1 2 418.544 2.785 20 0 HFADLO C[C@@H](CNC(=O)c1cnc(OC2CCOCC2)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472630 1079399207 /nfs/dbraw/zinc/39/92/07/1079399207.db2.gz XMLNPDCRIGHHPB-SOUVJXGZSA-N 1 2 411.930 2.520 20 0 HFADLO C[C@@H](CNC(=O)c1cnc(OC2CCOCC2)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472630 1079399213 /nfs/dbraw/zinc/39/92/13/1079399213.db2.gz XMLNPDCRIGHHPB-SOUVJXGZSA-N 1 2 411.930 2.520 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC001130492381 1079401875 /nfs/dbraw/zinc/40/18/75/1079401875.db2.gz JMYDMWJBEBRZDL-GOSISDBHSA-N 1 2 419.432 2.556 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@H]3CSc4ccccc43)CC2)cc1 ZINC000806153274 1079470003 /nfs/dbraw/zinc/47/00/03/1079470003.db2.gz MAUOKENXJOESRD-FQEVSTJZSA-N 1 2 424.570 2.801 20 0 HFADLO O=C(NCC1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1)OCc1ccccc1 ZINC000787318216 1076761852 /nfs/dbraw/zinc/76/18/52/1076761852.db2.gz JKENCVVRNHXGDQ-IBGZPJMESA-N 1 2 411.506 2.546 20 0 HFADLO C[C@@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1OC(F)F ZINC000787377087 1076779031 /nfs/dbraw/zinc/77/90/31/1076779031.db2.gz YRFLZWGDFZRYCT-KGLIPLIRSA-N 1 2 406.433 2.605 20 0 HFADLO COCc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)no1 ZINC000787384850 1076803200 /nfs/dbraw/zinc/80/32/00/1076803200.db2.gz WYYBSHXVCQMOBT-UHFFFAOYSA-N 1 2 409.284 2.588 20 0 HFADLO Cc1nn(C)c(C)c1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787384928 1076803421 /nfs/dbraw/zinc/80/34/21/1076803421.db2.gz YIFXZFZUTXPPMS-UHFFFAOYSA-N 1 2 420.355 2.732 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@H](C)c2ccccc2OC(F)F)c1C ZINC000787387652 1076804183 /nfs/dbraw/zinc/80/41/83/1076804183.db2.gz OIDJSBFHKLAXLV-CYBMUJFWSA-N 1 2 407.417 2.802 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCSc2nccn2Cc2ccccn2)CC1 ZINC000787491620 1076824554 /nfs/dbraw/zinc/82/45/54/1076824554.db2.gz ZOURWPKVVMIJPO-UHFFFAOYSA-N 1 2 403.552 2.971 20 0 HFADLO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000787598364 1076887097 /nfs/dbraw/zinc/88/70/97/1076887097.db2.gz MPABYBHQNWOZFE-UHFFFAOYSA-N 1 2 403.504 2.974 20 0 HFADLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1 ZINC000787679574 1076908890 /nfs/dbraw/zinc/90/88/90/1076908890.db2.gz TURIQGHZJJRQFG-OAHLLOKOSA-N 1 2 417.428 2.999 20 0 HFADLO C[N@H+]1CCO[C@@H](C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1 ZINC000787679574 1076908893 /nfs/dbraw/zinc/90/88/93/1076908893.db2.gz TURIQGHZJJRQFG-OAHLLOKOSA-N 1 2 417.428 2.999 20 0 HFADLO C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787873433 1076969801 /nfs/dbraw/zinc/96/98/01/1076969801.db2.gz GQMDFZMUCPXIEB-CQSZACIVSA-N 1 2 423.355 2.540 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000787880363 1076974340 /nfs/dbraw/zinc/97/43/40/1076974340.db2.gz XZZCFZDHEIBLPP-OAHLLOKOSA-N 1 2 424.501 2.549 20 0 HFADLO CCOC(CCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)OCC ZINC000787937912 1077017043 /nfs/dbraw/zinc/01/70/43/1077017043.db2.gz PNFROYSASJVJSG-UHFFFAOYSA-N 1 2 414.506 2.730 20 0 HFADLO Cn1cnc(-c2ccc(OC(=O)c3cccc(NC(=O)CCn4cc[nH+]c4)c3)cc2)n1 ZINC000787990118 1077020492 /nfs/dbraw/zinc/02/04/92/1077020492.db2.gz RRHQZDRIHODHBU-UHFFFAOYSA-N 1 2 416.441 2.927 20 0 HFADLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000787995740 1077022055 /nfs/dbraw/zinc/02/20/55/1077022055.db2.gz RCIBWKBGWHFSLR-NRFANRHFSA-N 1 2 423.579 2.912 20 0 HFADLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000787995740 1077022062 /nfs/dbraw/zinc/02/20/62/1077022062.db2.gz RCIBWKBGWHFSLR-NRFANRHFSA-N 1 2 423.579 2.912 20 0 HFADLO CC1(C)OCC(CO)([NH2+]CC(=O)Nc2ccccc2Sc2ccccc2)CO1 ZINC000787997909 1077023728 /nfs/dbraw/zinc/02/37/28/1077023728.db2.gz DVPOOPYIKWDQPV-UHFFFAOYSA-N 1 2 402.516 2.880 20 0 HFADLO O=C(COC(=O)c1cccnc1C(F)(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000788127676 1077060563 /nfs/dbraw/zinc/06/05/63/1077060563.db2.gz PHYOJQSZPYWAIG-UHFFFAOYSA-N 1 2 413.421 2.663 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000788154884 1077070187 /nfs/dbraw/zinc/07/01/87/1077070187.db2.gz PLUUVUNACAXNIU-QGZVFWFLSA-N 1 2 416.528 2.912 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCCCC3CCCC3)CC2)cc1 ZINC000788220379 1077082275 /nfs/dbraw/zinc/08/22/75/1077082275.db2.gz ORNDRYAPRPMXFH-UHFFFAOYSA-N 1 2 400.567 2.924 20 0 HFADLO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788239601 1077084433 /nfs/dbraw/zinc/08/44/33/1077084433.db2.gz ARDQRINZIYOMDX-CQSZACIVSA-N 1 2 409.490 2.893 20 0 HFADLO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788239601 1077084439 /nfs/dbraw/zinc/08/44/39/1077084439.db2.gz ARDQRINZIYOMDX-CQSZACIVSA-N 1 2 409.490 2.893 20 0 HFADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788471270 1077170367 /nfs/dbraw/zinc/17/03/67/1077170367.db2.gz LDGQBNHJPUBPGI-UTKZUKDTSA-N 1 2 422.533 2.985 20 0 HFADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788471269 1077170383 /nfs/dbraw/zinc/17/03/83/1077170383.db2.gz LDGQBNHJPUBPGI-LAUBAEHRSA-N 1 2 422.533 2.985 20 0 HFADLO O=C(C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1)N[C@H](c1nccs1)c1ccccc1 ZINC000788474147 1077171358 /nfs/dbraw/zinc/17/13/58/1077171358.db2.gz MCWYOROFMWYGRZ-RBUKOAKNSA-N 1 2 411.531 2.517 20 0 HFADLO O=C(C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000788474149 1077171408 /nfs/dbraw/zinc/17/14/08/1077171408.db2.gz MCWYOROFMWYGRZ-RTBURBONSA-N 1 2 411.531 2.517 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 ZINC000788607410 1077205660 /nfs/dbraw/zinc/20/56/60/1077205660.db2.gz ZWXGIIBTABYEMY-KRWDZBQOSA-N 1 2 423.498 2.623 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000788656593 1077255126 /nfs/dbraw/zinc/25/51/26/1077255126.db2.gz SFIQBSRBXBYWPF-WOJBJXKFSA-N 1 2 419.485 2.639 20 0 HFADLO COC(=O)c1ccc(F)c(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000788701338 1077263538 /nfs/dbraw/zinc/26/35/38/1077263538.db2.gz BVBGCROZTKWLSH-UHFFFAOYSA-N 1 2 421.494 2.713 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N[C@H](C)c3cccc(NS(C)(=O)=O)c3)[nH+]c12 ZINC000746758940 1077269992 /nfs/dbraw/zinc/26/99/92/1077269992.db2.gz YLYNWSWEJZDEEX-OAHLLOKOSA-N 1 2 415.519 2.617 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000788696962 1077275156 /nfs/dbraw/zinc/27/51/56/1077275156.db2.gz CCXQMFRJULTKCT-KPKJPENVSA-N 1 2 417.369 2.792 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000788696962 1077275164 /nfs/dbraw/zinc/27/51/64/1077275164.db2.gz CCXQMFRJULTKCT-KPKJPENVSA-N 1 2 417.369 2.792 20 0 HFADLO O=C(NC1CC[NH+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1)c1ccsc1 ZINC000788770196 1077283126 /nfs/dbraw/zinc/28/31/26/1077283126.db2.gz FVGNYQIXQJSBLL-SFHVURJKSA-N 1 2 411.527 2.518 20 0 HFADLO Cc1cc(C)c(N2CC[C@@H](NC(=O)NCCc3cn4c([nH+]3)CCCC4)C2=O)c(C)c1 ZINC000788732751 1077284865 /nfs/dbraw/zinc/28/48/65/1077284865.db2.gz FRHTYYPAMIURGA-LJQANCHMSA-N 1 2 409.534 2.792 20 0 HFADLO CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CC34CN(C(=O)OC(C)(C)C)C4)c2)CC1 ZINC000788800111 1077292023 /nfs/dbraw/zinc/29/20/23/1077292023.db2.gz IVGDUFQTNBFAJX-LJQANCHMSA-N 1 2 414.550 2.630 20 0 HFADLO Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2c(F)cc(O)cc2F)CC1 ZINC000746983591 1077310209 /nfs/dbraw/zinc/31/02/09/1077310209.db2.gz AVXJFFSSUXMGGS-UHFFFAOYSA-N 1 2 418.440 2.870 20 0 HFADLO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)c2c(F)cc(O)cc2F)CC1 ZINC000746983591 1077310217 /nfs/dbraw/zinc/31/02/17/1077310217.db2.gz AVXJFFSSUXMGGS-UHFFFAOYSA-N 1 2 418.440 2.870 20 0 HFADLO COc1ccccc1[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1nccn1C ZINC000788853967 1077316121 /nfs/dbraw/zinc/31/61/21/1077316121.db2.gz PDBKEKYZKWGGQK-XLIONFOSSA-N 1 2 407.474 2.776 20 0 HFADLO O=C(NCc1ccc(-n2ccnc2)nc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788853433 1077320754 /nfs/dbraw/zinc/32/07/54/1077320754.db2.gz KNNAZFWRJGAPDX-UHFFFAOYSA-N 1 2 405.506 2.889 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)[nH+]c12 ZINC000746774926 1077364148 /nfs/dbraw/zinc/36/41/48/1077364148.db2.gz ADLNGPNDIIGWEH-INIZCTEOSA-N 1 2 401.511 2.836 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)[nH+]c12 ZINC000746776428 1077368809 /nfs/dbraw/zinc/36/88/09/1077368809.db2.gz RXHFFIZPYNLHNF-MRXNPFEDSA-N 1 2 401.511 2.884 20 0 HFADLO O=C(NCc1ccnc(-n2ccnc2)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788940545 1077371370 /nfs/dbraw/zinc/37/13/70/1077371370.db2.gz XDJVGYXEXYQLIO-UHFFFAOYSA-N 1 2 405.506 2.889 20 0 HFADLO Cc1cc(NC(=O)CSCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)no1 ZINC000791290534 1077371934 /nfs/dbraw/zinc/37/19/34/1077371934.db2.gz SDFQDMQXIJNKKC-UHFFFAOYSA-N 1 2 400.460 2.892 20 0 HFADLO CC[NH+](CC)Cc1nc(C2(NC(=O)C(F)(F)C3(O)CCCC3)CCCC2)no1 ZINC000791334277 1077377634 /nfs/dbraw/zinc/37/76/34/1077377634.db2.gz ZMMOZYAFHWZIGT-UHFFFAOYSA-N 1 2 400.470 2.737 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 ZINC000791420595 1077395293 /nfs/dbraw/zinc/39/52/93/1077395293.db2.gz ZJQAAFSSOSJOMU-UHFFFAOYSA-N 1 2 402.476 2.553 20 0 HFADLO CC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1C ZINC000789132302 1077406038 /nfs/dbraw/zinc/40/60/38/1077406038.db2.gz JGKPFQUKZUFRTF-UHFFFAOYSA-N 1 2 410.470 2.825 20 0 HFADLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCc3cc[nH+]c(N)c3)cc2)C1 ZINC000791456899 1077413821 /nfs/dbraw/zinc/41/38/21/1077413821.db2.gz RJKHTOABKATPRI-GASCZTMLSA-N 1 2 403.504 2.687 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000791545405 1077472489 /nfs/dbraw/zinc/47/24/89/1077472489.db2.gz DHJRQDXFQRIQQO-NRFANRHFSA-N 1 2 406.442 2.699 20 0 HFADLO COc1cccc(C2=NO[C@H](C(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)C2)c1 ZINC000791602514 1077500881 /nfs/dbraw/zinc/50/08/81/1077500881.db2.gz JHGWUIKZAXVJHG-QFIPXVFZSA-N 1 2 409.486 2.968 20 0 HFADLO O=C(CN1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000789359087 1077516116 /nfs/dbraw/zinc/51/61/16/1077516116.db2.gz WLXJTBRPGTUYNW-UHFFFAOYSA-N 1 2 423.561 2.874 20 0 HFADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 ZINC000746810425 1077550848 /nfs/dbraw/zinc/55/08/48/1077550848.db2.gz JTECIXZBIWNQAR-HNNXBMFYSA-N 1 2 421.563 2.612 20 0 HFADLO CCOC(=O)N(C)C1CC[NH+](CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)CC1 ZINC000789423100 1077552525 /nfs/dbraw/zinc/55/25/25/1077552525.db2.gz GGQBSOSTMTWRGQ-OAQYLSRUSA-N 1 2 408.543 2.633 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000789424962 1077554319 /nfs/dbraw/zinc/55/43/19/1077554319.db2.gz LZMYMKGDUBEVKZ-KSFYIVLOSA-N 1 2 422.570 2.927 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000789424962 1077554326 /nfs/dbraw/zinc/55/43/26/1077554326.db2.gz LZMYMKGDUBEVKZ-KSFYIVLOSA-N 1 2 422.570 2.927 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1=O ZINC000789425894 1077555473 /nfs/dbraw/zinc/55/54/73/1077555473.db2.gz RIZJIPGOVWHVOX-HXOBKFHXSA-N 1 2 420.598 2.955 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1=O ZINC000789425894 1077555476 /nfs/dbraw/zinc/55/54/76/1077555476.db2.gz RIZJIPGOVWHVOX-HXOBKFHXSA-N 1 2 420.598 2.955 20 0 HFADLO CCC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O ZINC000789442470 1077574880 /nfs/dbraw/zinc/57/48/80/1077574880.db2.gz MGXRABXMOICKAJ-NRFANRHFSA-N 1 2 406.477 2.935 20 0 HFADLO CCC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O ZINC000789442470 1077574886 /nfs/dbraw/zinc/57/48/86/1077574886.db2.gz MGXRABXMOICKAJ-NRFANRHFSA-N 1 2 406.477 2.935 20 0 HFADLO COC(=O)Nc1ccc(OC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000792059684 1077665382 /nfs/dbraw/zinc/66/53/82/1077665382.db2.gz CMXRRQTYORHKPP-UHFFFAOYSA-N 1 2 407.467 2.713 20 0 HFADLO Cn1cc([C@@H]2CN(C(=O)C[C@@H](O)c3ccc(OCc4ccccc4)cc3)CC[NH2+]2)cn1 ZINC001170111530 1077669004 /nfs/dbraw/zinc/66/90/04/1077669004.db2.gz GXUPDVMCRZHXCA-XZOQPEGZSA-N 1 2 420.513 2.596 20 0 HFADLO Cn1cc([C@@H]2CN(C(=O)c3nc4ccccc4cc3Br)CC[NH2+]2)cn1 ZINC001170111542 1077669476 /nfs/dbraw/zinc/66/94/76/1077669476.db2.gz HECLUDHTJLNTSB-INIZCTEOSA-N 1 2 400.280 2.518 20 0 HFADLO Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000789556524 1077674719 /nfs/dbraw/zinc/67/47/19/1077674719.db2.gz BASXIBYHBGWWRS-UHFFFAOYSA-N 1 2 400.442 2.621 20 0 HFADLO Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000789558010 1077675678 /nfs/dbraw/zinc/67/56/78/1077675678.db2.gz SXDDHYXELCRRTB-UHFFFAOYSA-N 1 2 400.442 2.621 20 0 HFADLO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000789560382 1077680243 /nfs/dbraw/zinc/68/02/43/1077680243.db2.gz JUXWMNXLUJXKBF-GFCCVEGCSA-N 1 2 415.803 2.573 20 0 HFADLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)c(C)c1 ZINC000792230277 1077754305 /nfs/dbraw/zinc/75/43/05/1077754305.db2.gz ILYIQXDVGORUMZ-OALUTQOASA-N 1 2 400.519 2.701 20 0 HFADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789767512 1077768533 /nfs/dbraw/zinc/76/85/33/1077768533.db2.gz CLDLKEFIAYMSEN-GOSISDBHSA-N 1 2 408.289 2.662 20 0 HFADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789767512 1077768537 /nfs/dbraw/zinc/76/85/37/1077768537.db2.gz CLDLKEFIAYMSEN-GOSISDBHSA-N 1 2 408.289 2.662 20 0 HFADLO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792218701 1077771813 /nfs/dbraw/zinc/77/18/13/1077771813.db2.gz RVILZYULZAIMPX-INIZCTEOSA-N 1 2 407.308 2.693 20 0 HFADLO CC[NH+](CC)CCOC(=O)c1cccc(NS(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC000789749542 1077780688 /nfs/dbraw/zinc/78/06/88/1077780688.db2.gz FLINNKWXKWGSGZ-UHFFFAOYSA-N 1 2 408.524 2.763 20 0 HFADLO CSc1nc2ccc(NC(=O)C(=O)N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2s1 ZINC000789795434 1077801491 /nfs/dbraw/zinc/80/14/91/1077801491.db2.gz ADSAURWJUSJLMQ-BETUJISGSA-N 1 2 422.576 2.524 20 0 HFADLO CSc1nc2ccc(NC(=O)C(=O)N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2s1 ZINC000789795434 1077801504 /nfs/dbraw/zinc/80/15/04/1077801504.db2.gz ADSAURWJUSJLMQ-BETUJISGSA-N 1 2 422.576 2.524 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2=O)c(C)c1 ZINC000789894380 1077852636 /nfs/dbraw/zinc/85/26/36/1077852636.db2.gz IUUBOUKYTRXTEU-JSXRDJHFSA-N 1 2 415.578 2.967 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2=O)c(C)c1 ZINC000789894380 1077852640 /nfs/dbraw/zinc/85/26/40/1077852640.db2.gz IUUBOUKYTRXTEU-JSXRDJHFSA-N 1 2 415.578 2.967 20 0 HFADLO C[C@@H]([NH2+]CC(=O)N(CCc1ccccc1)Cc1ccccc1)c1nnnn1C1CC1 ZINC000792474276 1077873518 /nfs/dbraw/zinc/87/35/18/1077873518.db2.gz QEPCARXEYNDPRD-GOSISDBHSA-N 1 2 404.518 2.930 20 0 HFADLO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000772797041 1077879863 /nfs/dbraw/zinc/87/98/63/1077879863.db2.gz BTYDGGDDDXBNCK-VXGBXAGGSA-N 1 2 421.410 2.896 20 0 HFADLO COc1ccc(CCS(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000790044742 1077909693 /nfs/dbraw/zinc/90/96/93/1077909693.db2.gz YGHFKUTUWLYUQO-PMACEKPBSA-N 1 2 410.486 2.881 20 0 HFADLO COc1ccc(CCS(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000790044742 1077909696 /nfs/dbraw/zinc/90/96/96/1077909696.db2.gz YGHFKUTUWLYUQO-PMACEKPBSA-N 1 2 410.486 2.881 20 0 HFADLO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)c1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC001170238876 1077914565 /nfs/dbraw/zinc/91/45/65/1077914565.db2.gz XXJVYDZXHSBZLO-QEORTHHSSA-N 1 2 419.526 2.655 20 0 HFADLO CCn1c(SCC(=O)N2CCc3cc[nH+]c(N)c3C2)nnc1-c1ccccc1C ZINC001170259822 1077920545 /nfs/dbraw/zinc/92/05/45/1077920545.db2.gz WXKVGBICBAJJQI-UHFFFAOYSA-N 1 2 408.531 2.928 20 0 HFADLO Nc1ncc2c(n1)CCN(C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C2 ZINC000790066679 1077936939 /nfs/dbraw/zinc/93/69/39/1077936939.db2.gz UFGIKCJIAYPJGF-QGZVFWFLSA-N 1 2 416.323 2.543 20 0 HFADLO CCS(=O)(=O)c1ccc(CNc2nc[nH+]c3cc(N4CCOCC4)ccc32)cc1 ZINC001170322799 1077943339 /nfs/dbraw/zinc/94/33/39/1077943339.db2.gz PMBCKQXZIHHWRG-UHFFFAOYSA-N 1 2 412.515 2.872 20 0 HFADLO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Oc4ccc(F)nc4)CC3)C2=O)cc1 ZINC000790103442 1077949968 /nfs/dbraw/zinc/94/99/68/1077949968.db2.gz RAVHNYOEEGTSDT-LJQANCHMSA-N 1 2 413.449 2.795 20 0 HFADLO C[C@H](CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000790136396 1077953813 /nfs/dbraw/zinc/95/38/13/1077953813.db2.gz QTKHDXMGYPXHAM-GUDVDZBRSA-N 1 2 411.587 2.839 20 0 HFADLO CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001170343254 1077953919 /nfs/dbraw/zinc/95/39/19/1077953919.db2.gz YFCUJPFUFIIWPZ-IBGZPJMESA-N 1 2 421.513 2.668 20 0 HFADLO CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001170343254 1077953920 /nfs/dbraw/zinc/95/39/20/1077953920.db2.gz YFCUJPFUFIIWPZ-IBGZPJMESA-N 1 2 421.513 2.668 20 0 HFADLO CC(=O)N1CCc2ccc(S(=O)(=O)Oc3ccc(-n4cc[nH+]c4)cc3)cc2CC1 ZINC000790125275 1077959390 /nfs/dbraw/zinc/95/93/90/1077959390.db2.gz BFCDRJYPZOMJLW-UHFFFAOYSA-N 1 2 411.483 2.587 20 0 HFADLO COc1ccc(C2(C(=O)Nc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)CCC2)cc1OC ZINC000790157688 1077961191 /nfs/dbraw/zinc/96/11/91/1077961191.db2.gz JCMRGNXOARBQAJ-UHFFFAOYSA-N 1 2 423.513 2.608 20 0 HFADLO COc1ccc(C2(C(=O)Nc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)CCC2)cc1OC ZINC000790157688 1077961193 /nfs/dbraw/zinc/96/11/93/1077961193.db2.gz JCMRGNXOARBQAJ-UHFFFAOYSA-N 1 2 423.513 2.608 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3c(Cl)nccc3C(F)(F)F)cc2C1 ZINC000790157063 1077961467 /nfs/dbraw/zinc/96/14/67/1077961467.db2.gz HEZLVVSWRKUUKK-UHFFFAOYSA-N 1 2 412.799 2.850 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3c(Cl)nccc3C(F)(F)F)cc2C1 ZINC000790157063 1077961469 /nfs/dbraw/zinc/96/14/69/1077961469.db2.gz HEZLVVSWRKUUKK-UHFFFAOYSA-N 1 2 412.799 2.850 20 0 HFADLO O=C(COC(=O)[C@@H]1CCC(=O)c2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000792661147 1077962455 /nfs/dbraw/zinc/96/24/55/1077962455.db2.gz YUGXGULZBKNILO-LJQANCHMSA-N 1 2 412.511 2.696 20 0 HFADLO Cn1c(=O)c2ccc(C(=O)Nc3cccc4c3OCC[C@@H]4[NH+](C)C)cc2[nH]c1=S ZINC000790237451 1077973935 /nfs/dbraw/zinc/97/39/35/1077973935.db2.gz MKEFLRAGZAUBRL-KRWDZBQOSA-N 1 2 410.499 2.860 20 0 HFADLO C[C@H]1CSCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000792723494 1077974670 /nfs/dbraw/zinc/97/46/70/1077974670.db2.gz STABAUCYKANAAQ-BMIGLBTASA-N 1 2 418.382 2.920 20 0 HFADLO C[C@H]1CSCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000792723494 1077974672 /nfs/dbraw/zinc/97/46/72/1077974672.db2.gz STABAUCYKANAAQ-BMIGLBTASA-N 1 2 418.382 2.920 20 0 HFADLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)c2cc(Br)ccc2n1 ZINC001170130510 1077976010 /nfs/dbraw/zinc/97/60/10/1077976010.db2.gz OULOMEIYKPRCAS-QGZVFWFLSA-N 1 2 400.280 2.816 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000790253663 1077977615 /nfs/dbraw/zinc/97/76/15/1077977615.db2.gz JQYBYNCLGIWLFD-QGZVFWFLSA-N 1 2 400.429 2.801 20 0 HFADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000792771532 1077997566 /nfs/dbraw/zinc/99/75/66/1077997566.db2.gz ZMGHGULSCLWVAA-JEBQAFNWSA-N 1 2 404.935 2.960 20 0 HFADLO CC[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000792771532 1077997568 /nfs/dbraw/zinc/99/75/68/1077997568.db2.gz ZMGHGULSCLWVAA-JEBQAFNWSA-N 1 2 404.935 2.960 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Oc2ccc(-c3nnco3)cc2)[C@@H]1c1c[nH+]cn1C ZINC000792864437 1078011222 /nfs/dbraw/zinc/01/12/22/1078011222.db2.gz GDBWYEVHBJARBF-VQIMIIECSA-N 1 2 409.446 2.765 20 0 HFADLO COc1cc(OC)c(CNC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(OC)c1 ZINC000792912751 1078024231 /nfs/dbraw/zinc/02/42/31/1078024231.db2.gz ZLDPZTWHEAXZCU-AEFFLSMTSA-N 1 2 417.333 2.844 20 0 HFADLO COc1cc(OC)c(CNC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(OC)c1 ZINC000792912751 1078024238 /nfs/dbraw/zinc/02/42/38/1078024238.db2.gz ZLDPZTWHEAXZCU-AEFFLSMTSA-N 1 2 417.333 2.844 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1CCC(=O)NCC(=O)c1ccccc1)C(=O)OC(C)(C)C ZINC000792914787 1078024946 /nfs/dbraw/zinc/02/49/46/1078024946.db2.gz IATLYQGGCVVBNL-ROUUACIJSA-N 1 2 421.513 2.655 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1CCC(=O)NCC(=O)c1ccccc1)C(=O)OC(C)(C)C ZINC000792914787 1078024951 /nfs/dbraw/zinc/02/49/51/1078024951.db2.gz IATLYQGGCVVBNL-ROUUACIJSA-N 1 2 421.513 2.655 20 0 HFADLO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C2 ZINC000792921689 1078026177 /nfs/dbraw/zinc/02/61/77/1078026177.db2.gz LRLMEDXKETXMOO-QGZVFWFLSA-N 1 2 414.449 2.705 20 0 HFADLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C2 ZINC000792921689 1078026180 /nfs/dbraw/zinc/02/61/80/1078026180.db2.gz LRLMEDXKETXMOO-QGZVFWFLSA-N 1 2 414.449 2.705 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(C(=O)N3CCc4ccccc43)CC1)C2 ZINC000790437985 1078030903 /nfs/dbraw/zinc/03/09/03/1078030903.db2.gz FSKJZLGUUQTVIZ-UHFFFAOYSA-N 1 2 405.498 2.910 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(C(=O)NCc3ccc(C)cc3)CC1)C2 ZINC000790445350 1078034296 /nfs/dbraw/zinc/03/42/96/1078034296.db2.gz YZSJYWSXRVGIQV-UHFFFAOYSA-N 1 2 407.514 2.945 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2nnnn2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000790449997 1078035158 /nfs/dbraw/zinc/03/51/58/1078035158.db2.gz GGRXWAUAUQTVGP-ZTFRIQLXSA-N 1 2 421.908 2.996 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2nnnn2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000790449997 1078035163 /nfs/dbraw/zinc/03/51/63/1078035163.db2.gz GGRXWAUAUQTVGP-ZTFRIQLXSA-N 1 2 421.908 2.996 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000790449995 1078035276 /nfs/dbraw/zinc/03/52/76/1078035276.db2.gz GGRXWAUAUQTVGP-MZPVMMEZSA-N 1 2 421.908 2.996 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000790449995 1078035280 /nfs/dbraw/zinc/03/52/80/1078035280.db2.gz GGRXWAUAUQTVGP-MZPVMMEZSA-N 1 2 421.908 2.996 20 0 HFADLO COC[C@@]1(C)CC(=O)N(C[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)C1 ZINC000790455282 1078037053 /nfs/dbraw/zinc/03/70/53/1078037053.db2.gz AOCNKASGNNLABH-QFIPXVFZSA-N 1 2 414.506 2.767 20 0 HFADLO CC(C)Cn1cc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000806313252 1079565869 /nfs/dbraw/zinc/56/58/69/1079565869.db2.gz LOQYMOCGJXAPHC-SFHVURJKSA-N 1 2 420.558 2.698 20 0 HFADLO C[C@H](CCc1ccco1)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806317645 1079571736 /nfs/dbraw/zinc/57/17/36/1079571736.db2.gz LQUCHAWZLXKBKC-MSOLQXFVSA-N 1 2 420.554 2.937 20 0 HFADLO COC[C@]1(CNC(=O)Nc2ccc3[nH+]ccn3c2)CCCN1C(=O)OC(C)(C)C ZINC000806289189 1079573356 /nfs/dbraw/zinc/57/33/56/1079573356.db2.gz HGLYDUIMHOJFDH-HXUWFJFHSA-N 1 2 403.483 2.872 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3cccc(Cl)n3)C2)CC1 ZINC000806336792 1079609016 /nfs/dbraw/zinc/60/90/16/1079609016.db2.gz YNWJSDGRVKXNML-AWEZNQCLSA-N 1 2 409.918 2.894 20 0 HFADLO Cc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC000806368809 1079655174 /nfs/dbraw/zinc/65/51/74/1079655174.db2.gz HXYSLKZOXHCRDP-INIZCTEOSA-N 1 2 408.568 2.893 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806490308 1079739588 /nfs/dbraw/zinc/73/95/88/1079739588.db2.gz FKDVYNGZJUWCDG-DLBZAZTESA-N 1 2 402.861 2.701 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806490308 1079739596 /nfs/dbraw/zinc/73/95/96/1079739596.db2.gz FKDVYNGZJUWCDG-DLBZAZTESA-N 1 2 402.861 2.701 20 0 HFADLO O=C(Cc1ccc(F)cn1)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000806503373 1079753283 /nfs/dbraw/zinc/75/32/83/1079753283.db2.gz TXWYWTWZYUYKER-UHFFFAOYSA-N 1 2 423.467 2.940 20 0 HFADLO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000806486539 1079772996 /nfs/dbraw/zinc/77/29/96/1079772996.db2.gz XGGBRHCBFOQSEM-RBUKOAKNSA-N 1 2 418.925 2.555 20 0 HFADLO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000806486539 1079773002 /nfs/dbraw/zinc/77/30/02/1079773002.db2.gz XGGBRHCBFOQSEM-RBUKOAKNSA-N 1 2 418.925 2.555 20 0 HFADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000806528585 1079802706 /nfs/dbraw/zinc/80/27/06/1079802706.db2.gz GMRUOOUOGYMQGZ-FASAQXTFSA-N 1 2 404.461 2.810 20 0 HFADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000806528585 1079802718 /nfs/dbraw/zinc/80/27/18/1079802718.db2.gz GMRUOOUOGYMQGZ-FASAQXTFSA-N 1 2 404.461 2.810 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000806536886 1079809259 /nfs/dbraw/zinc/80/92/59/1079809259.db2.gz PNOCQVQFIWCNSV-ZCNNSNEGSA-N 1 2 414.550 2.879 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCc3ccc(F)cc3F)CC2)C1 ZINC000806626053 1079883535 /nfs/dbraw/zinc/88/35/35/1079883535.db2.gz YOKNOXJXNFIRCE-KRWDZBQOSA-N 1 2 424.492 2.801 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCCCOC3CCCC3)CC2)C1 ZINC000806637246 1079893382 /nfs/dbraw/zinc/89/33/82/1079893382.db2.gz AEQJQLSRSYASOS-GOSISDBHSA-N 1 2 424.586 2.672 20 0 HFADLO C[C@@H]1C[N@H+](CCNC(=O)NCC2(c3ccc(Br)s3)CCC2)CCO1 ZINC000806665929 1079928571 /nfs/dbraw/zinc/92/85/71/1079928571.db2.gz FQAQNPWSEIOJPG-CYBMUJFWSA-N 1 2 416.385 2.952 20 0 HFADLO C[C@@H]1C[N@@H+](CCNC(=O)NCC2(c3ccc(Br)s3)CCC2)CCO1 ZINC000806665929 1079928573 /nfs/dbraw/zinc/92/85/73/1079928573.db2.gz FQAQNPWSEIOJPG-CYBMUJFWSA-N 1 2 416.385 2.952 20 0 HFADLO C[C@H](NC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000806741849 1079997034 /nfs/dbraw/zinc/99/70/34/1079997034.db2.gz SIEZUPIDGDEBMK-BJLQDIEVSA-N 1 2 424.586 2.719 20 0 HFADLO C[C@@]1(c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)cc2)NC(=O)NC1=O ZINC000747359705 1080031470 /nfs/dbraw/zinc/03/14/70/1080031470.db2.gz CXNCNDBBGKLEOX-XXBNENTESA-N 1 2 424.476 2.874 20 0 HFADLO C[C@@]1(c2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)cc2)NC(=O)NC1=O ZINC000747359705 1080031480 /nfs/dbraw/zinc/03/14/80/1080031480.db2.gz CXNCNDBBGKLEOX-XXBNENTESA-N 1 2 424.476 2.874 20 0 HFADLO CCc1cc(CNC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)[nH]n1 ZINC000806834333 1080047483 /nfs/dbraw/zinc/04/74/83/1080047483.db2.gz CYVVIALXNCFKTJ-UHFFFAOYSA-N 1 2 421.299 2.936 20 0 HFADLO CCc1cc(CNC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n[nH]1 ZINC000806834333 1080047488 /nfs/dbraw/zinc/04/74/88/1080047488.db2.gz CYVVIALXNCFKTJ-UHFFFAOYSA-N 1 2 421.299 2.936 20 0 HFADLO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000806835163 1080048531 /nfs/dbraw/zinc/04/85/31/1080048531.db2.gz KNRFYZXJSMDZQV-BLLLJJGKSA-N 1 2 419.394 2.599 20 0 HFADLO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000806835163 1080048536 /nfs/dbraw/zinc/04/85/36/1080048536.db2.gz KNRFYZXJSMDZQV-BLLLJJGKSA-N 1 2 419.394 2.599 20 0 HFADLO CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1nccs1 ZINC000806840578 1080052995 /nfs/dbraw/zinc/05/29/95/1080052995.db2.gz PBDXNRWFZQDSOS-CVEARBPZSA-N 1 2 423.583 2.931 20 0 HFADLO COc1ccc2cc(NC(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)ccc2c1 ZINC000806840389 1080053044 /nfs/dbraw/zinc/05/30/44/1080053044.db2.gz NQJZKYNOLDIDKV-UHFFFAOYSA-N 1 2 404.470 2.967 20 0 HFADLO COC(=O)c1cc(C)c(NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)c(Cl)c1 ZINC000806877701 1080076087 /nfs/dbraw/zinc/07/60/87/1080076087.db2.gz DOFSKAJGACDNAN-UHFFFAOYSA-N 1 2 419.865 2.710 20 0 HFADLO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(Br)ncc1Cl ZINC000807080097 1080261263 /nfs/dbraw/zinc/26/12/63/1080261263.db2.gz NSFDKLNNCQSOAC-ZIAGYGMSSA-N 1 2 402.720 2.871 20 0 HFADLO C[C@@H]1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000807089461 1080268213 /nfs/dbraw/zinc/26/82/13/1080268213.db2.gz FVSWRVCRZHRLQY-QMMLZNLJSA-N 1 2 410.518 2.577 20 0 HFADLO C[C@@H]1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000807089462 1080268277 /nfs/dbraw/zinc/26/82/77/1080268277.db2.gz FVSWRVCRZHRLQY-UIFIKXQLSA-N 1 2 410.518 2.577 20 0 HFADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089167 1080268797 /nfs/dbraw/zinc/26/87/97/1080268797.db2.gz VZFOJAGITQEFJU-FCHUYYIVSA-N 1 2 407.514 2.573 20 0 HFADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089167 1080268809 /nfs/dbraw/zinc/26/88/09/1080268809.db2.gz VZFOJAGITQEFJU-FCHUYYIVSA-N 1 2 407.514 2.573 20 0 HFADLO CC(C)OCCCCNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807096596 1080274762 /nfs/dbraw/zinc/27/47/62/1080274762.db2.gz HENBRRDBGOKBCS-GOSISDBHSA-N 1 2 412.575 2.528 20 0 HFADLO C[C@@H](CNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1nccs1 ZINC000807108889 1080286354 /nfs/dbraw/zinc/28/63/54/1080286354.db2.gz VPTLSCDOTCMGTH-JKSUJKDBSA-N 1 2 423.583 2.583 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NC[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000807196863 1080345453 /nfs/dbraw/zinc/34/54/53/1080345453.db2.gz QDMPXZNSRYQVSH-JKSUJKDBSA-N 1 2 416.513 2.758 20 0 HFADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2cnc(C3OCCO3)s2)c2ccc(Cl)cc2)C1 ZINC000807180202 1080374865 /nfs/dbraw/zinc/37/48/65/1080374865.db2.gz ZKJWYZJWBHKHGZ-HOCLYGCPSA-N 1 2 423.922 2.644 20 0 HFADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2cnc(C3OCCO3)s2)c2ccc(Cl)cc2)C1 ZINC000807180202 1080374874 /nfs/dbraw/zinc/37/48/74/1080374874.db2.gz ZKJWYZJWBHKHGZ-HOCLYGCPSA-N 1 2 423.922 2.644 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 ZINC000807280149 1080436895 /nfs/dbraw/zinc/43/68/95/1080436895.db2.gz CZDDBRRHIIGFOF-LJQANCHMSA-N 1 2 421.457 2.807 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1sc(C(C)(C)c2ccccc2)nc1C ZINC000807285135 1080444380 /nfs/dbraw/zinc/44/43/80/1080444380.db2.gz UHEHENISNWWYPD-INIZCTEOSA-N 1 2 412.515 2.946 20 0 HFADLO C[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)Cn1cc[nH+]c1 ZINC000747401445 1080765040 /nfs/dbraw/zinc/76/50/40/1080765040.db2.gz XDOBLAXPGYQWHC-CYBMUJFWSA-N 1 2 412.943 2.679 20 0 HFADLO COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000747401165 1080776759 /nfs/dbraw/zinc/77/67/59/1080776759.db2.gz SBMHXFJVWNOVBF-QAPCUYQASA-N 1 2 402.495 2.910 20 0 HFADLO COc1ccc(Cn2cc(C[NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)nn2)cc1 ZINC001461205934 1126193886 /nfs/dbraw/zinc/19/38/86/1126193886.db2.gz UQLXUBRRYMQCDP-WOJBJXKFSA-N 1 2 420.435 2.959 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4c(Cl)cccc4n3)CC2)C1=O ZINC001164637052 719273603 /nfs/dbraw/zinc/27/36/03/719273603.db2.gz ZWLIYAMKTYPUOM-UHFFFAOYSA-N 1 2 402.926 2.648 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4c(Cl)cccc4n3)CC2)C1=O ZINC001164637052 719273605 /nfs/dbraw/zinc/27/36/05/719273605.db2.gz ZWLIYAMKTYPUOM-UHFFFAOYSA-N 1 2 402.926 2.648 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C4CCCCC4)nc(C)n3)CC2)C1=O ZINC001164642101 719278766 /nfs/dbraw/zinc/27/87/66/719278766.db2.gz WPYXYSHVRANLIO-UHFFFAOYSA-N 1 2 415.582 2.592 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C4CCCCC4)nc(C)n3)CC2)C1=O ZINC001164642101 719278774 /nfs/dbraw/zinc/27/87/74/719278774.db2.gz WPYXYSHVRANLIO-UHFFFAOYSA-N 1 2 415.582 2.592 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C(C)(C)C)nc(C(C)C)n3)CC2)C1=O ZINC001164644993 719282757 /nfs/dbraw/zinc/28/27/57/719282757.db2.gz ZOHMPIPMHMEOSK-UHFFFAOYSA-N 1 2 417.598 2.657 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C(C)(C)C)nc(C(C)C)n3)CC2)C1=O ZINC001164644993 719282760 /nfs/dbraw/zinc/28/27/60/719282760.db2.gz ZOHMPIPMHMEOSK-UHFFFAOYSA-N 1 2 417.598 2.657 20 0 HFADLO COC(=O)c1cc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)cnc1Cl ZINC001164678091 719563855 /nfs/dbraw/zinc/56/38/55/719563855.db2.gz VMEKLUOLGSGIJV-UHFFFAOYSA-N 1 2 423.807 2.862 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(-c2ccc(F)cc2)n1 ZINC001164700487 719852148 /nfs/dbraw/zinc/85/21/48/719852148.db2.gz HMSAJCFPQBMQNK-GCJKJVERSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2ccc(Cl)nc2cn1 ZINC001164706038 719856799 /nfs/dbraw/zinc/85/67/99/719856799.db2.gz WJTBLIMTPIVMQC-MGPUTAFESA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccsc2)n1 ZINC001164708006 719872416 /nfs/dbraw/zinc/87/24/16/719872416.db2.gz XFCQSOUAAAZWSP-UTKZUKDTSA-N 1 2 416.547 2.746 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2F)nn1 ZINC001164708509 719872930 /nfs/dbraw/zinc/87/29/30/719872930.db2.gz ZPBXFYDSKIODDC-OPAMFIHVSA-N 1 2 414.481 2.515 20 0 HFADLO CCc1nc(Cl)nc(Cl)c1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164701369 719878369 /nfs/dbraw/zinc/87/83/69/719878369.db2.gz NLEXBEQKJQRPCG-KZULUSFZSA-N 1 2 417.337 2.579 20 0 HFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3c(Cl)ncc(Cl)c3Cl)C2)C1 ZINC001164718687 720256039 /nfs/dbraw/zinc/25/60/39/720256039.db2.gz HAEYFXQPZDSLJH-QGZVFWFLSA-N 1 2 421.756 2.707 20 0 HFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3c(Cl)ncc(Cl)c3Cl)C2)C1 ZINC001164718687 720256044 /nfs/dbraw/zinc/25/60/44/720256044.db2.gz HAEYFXQPZDSLJH-QGZVFWFLSA-N 1 2 421.756 2.707 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(F)cc4C)CC3)C2=O)cs1 ZINC001164825772 720362948 /nfs/dbraw/zinc/36/29/48/720362948.db2.gz UPTXACDERYVMBY-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(F)cc4C)CC3)C2=O)cs1 ZINC001164825772 720362952 /nfs/dbraw/zinc/36/29/52/720362952.db2.gz UPTXACDERYVMBY-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO CCOc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164823083 720365797 /nfs/dbraw/zinc/36/57/97/720365797.db2.gz AHUSXPJZYJWZTC-UHFFFAOYSA-N 1 2 415.563 2.558 20 0 HFADLO CCOc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164823083 720365804 /nfs/dbraw/zinc/36/58/04/720365804.db2.gz AHUSXPJZYJWZTC-UHFFFAOYSA-N 1 2 415.563 2.558 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(C)C)nn4)CC3)C2=O)cs1 ZINC001164824850 720367104 /nfs/dbraw/zinc/36/71/04/720367104.db2.gz OQMOXNUESJRAIH-UHFFFAOYSA-N 1 2 414.579 2.678 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(C)C)nn4)CC3)C2=O)cs1 ZINC001164824850 720367109 /nfs/dbraw/zinc/36/71/09/720367109.db2.gz OQMOXNUESJRAIH-UHFFFAOYSA-N 1 2 414.579 2.678 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(Cl)nc4C)CC3)C2=O)cs1 ZINC001164820367 720370836 /nfs/dbraw/zinc/37/08/36/720370836.db2.gz OYNJWDJHPCLRQU-UHFFFAOYSA-N 1 2 420.970 2.517 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(Cl)nc4C)CC3)C2=O)cs1 ZINC001164820367 720370843 /nfs/dbraw/zinc/37/08/43/720370843.db2.gz OYNJWDJHPCLRQU-UHFFFAOYSA-N 1 2 420.970 2.517 20 0 HFADLO Cc1cc2ccccc2nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164823376 720440839 /nfs/dbraw/zinc/44/08/39/720440839.db2.gz IOHWAUJOGLONHA-HXUWFJFHSA-N 1 2 421.545 2.729 20 0 HFADLO COc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc(Cl)n1 ZINC001164755818 720983593 /nfs/dbraw/zinc/98/35/93/720983593.db2.gz CACVPRWIOZAYRD-CYBMUJFWSA-N 1 2 413.856 2.943 20 0 HFADLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164769558 721067998 /nfs/dbraw/zinc/06/79/98/721067998.db2.gz OVMINKWNQDWZPB-GJYPPUQNSA-N 1 2 402.926 2.970 20 0 HFADLO Cn1cccc1C(=O)N[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164769558 721068000 /nfs/dbraw/zinc/06/80/00/721068000.db2.gz OVMINKWNQDWZPB-GJYPPUQNSA-N 1 2 402.926 2.970 20 0 HFADLO CN(C)C(=O)[C@@H]1CC12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164910469 721568958 /nfs/dbraw/zinc/56/89/58/721568958.db2.gz XDDUMCYMCWRQSK-FQEVSTJZSA-N 1 2 405.546 2.730 20 0 HFADLO CN(C)C(=O)[C@@H]1CC12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164910469 721568962 /nfs/dbraw/zinc/56/89/62/721568962.db2.gz XDDUMCYMCWRQSK-FQEVSTJZSA-N 1 2 405.546 2.730 20 0 HFADLO CS(=O)(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904297 721697130 /nfs/dbraw/zinc/69/71/30/721697130.db2.gz FIAWYNHOXJHAEP-IBGZPJMESA-N 1 2 422.501 2.618 20 0 HFADLO CS(=O)(=O)c1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904297 721697133 /nfs/dbraw/zinc/69/71/33/721697133.db2.gz FIAWYNHOXJHAEP-IBGZPJMESA-N 1 2 422.501 2.618 20 0 HFADLO Cc1nc2c(nc(Cl)nc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)s1 ZINC001165011266 721706426 /nfs/dbraw/zinc/70/64/26/721706426.db2.gz PTEZKRREGTUNTO-UHFFFAOYSA-N 1 2 406.947 2.890 20 0 HFADLO Cc1nc2c(nc(Cl)nc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)s1 ZINC001165011266 721706429 /nfs/dbraw/zinc/70/64/29/721706429.db2.gz PTEZKRREGTUNTO-UHFFFAOYSA-N 1 2 406.947 2.890 20 0 HFADLO FC(F)(c1ccc(Cl)nc1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912255 721766106 /nfs/dbraw/zinc/76/61/06/721766106.db2.gz WJMJTKLEYLPHKU-LJQANCHMSA-N 1 2 424.879 2.783 20 0 HFADLO FC(F)(c1ccc(Cl)nc1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912255 721766114 /nfs/dbraw/zinc/76/61/14/721766114.db2.gz WJMJTKLEYLPHKU-LJQANCHMSA-N 1 2 424.879 2.783 20 0 HFADLO Clc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164911071 721769454 /nfs/dbraw/zinc/76/94/54/721769454.db2.gz DPTNCCULNZQXCN-IBGZPJMESA-N 1 2 409.317 2.891 20 0 HFADLO Clc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164911071 721769457 /nfs/dbraw/zinc/76/94/57/721769457.db2.gz DPTNCCULNZQXCN-IBGZPJMESA-N 1 2 409.317 2.891 20 0 HFADLO Cc1cc(Cl)c(C)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915201 721788482 /nfs/dbraw/zinc/78/84/82/721788482.db2.gz KAKCXUQLKVJGAH-OAQYLSRUSA-N 1 2 402.926 2.855 20 0 HFADLO Cc1cc(Cl)c(C)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915201 721788483 /nfs/dbraw/zinc/78/84/83/721788483.db2.gz KAKCXUQLKVJGAH-OAQYLSRUSA-N 1 2 402.926 2.855 20 0 HFADLO Cc1csc2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164917138 721791886 /nfs/dbraw/zinc/79/18/86/721791886.db2.gz XCDUOGVXFANZDI-OAQYLSRUSA-N 1 2 411.531 2.503 20 0 HFADLO Cc1csc2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164917138 721791888 /nfs/dbraw/zinc/79/18/88/721791888.db2.gz XCDUOGVXFANZDI-OAQYLSRUSA-N 1 2 411.531 2.503 20 0 HFADLO CCOC(=O)c1nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)ccc1Cl ZINC001164918644 721817796 /nfs/dbraw/zinc/81/77/96/721817796.db2.gz QSWKJIGBCMGQJN-UHFFFAOYSA-N 1 2 403.914 2.858 20 0 HFADLO COc1cc(OC)nc(CN2CCN(c3cc(C4CCCCC4)[nH+]c(C)n3)CC2)n1 ZINC001165030836 721849752 /nfs/dbraw/zinc/84/97/52/721849752.db2.gz ZAPZZXWTLMYVDX-UHFFFAOYSA-N 1 2 412.538 2.962 20 0 HFADLO Cc1cccc2ncc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc12 ZINC001164945939 721973086 /nfs/dbraw/zinc/97/30/86/721973086.db2.gz UYRFUUMLVKFELY-UHFFFAOYSA-N 1 2 401.514 2.909 20 0 HFADLO Cc1cccc2ncc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc12 ZINC001164945939 721973089 /nfs/dbraw/zinc/97/30/89/721973089.db2.gz UYRFUUMLVKFELY-UHFFFAOYSA-N 1 2 401.514 2.909 20 0 HFADLO COc1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164945830 721973173 /nfs/dbraw/zinc/97/31/73/721973173.db2.gz SRKDPLBKJDEPBU-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO COc1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164945830 721973176 /nfs/dbraw/zinc/97/31/76/721973176.db2.gz SRKDPLBKJDEPBU-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO CCC1CCC2(CC1)NC(=O)N(C[NH+]1CCC(Oc3ccc(F)nc3)CC1)C2=O ZINC000790465132 1078044383 /nfs/dbraw/zinc/04/43/83/1078044383.db2.gz BVBWYTFQKXLULX-UHFFFAOYSA-N 1 2 404.486 2.912 20 0 HFADLO COc1ccc([C@@H]2C[C@H]2NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000793009991 1078047935 /nfs/dbraw/zinc/04/79/35/1078047935.db2.gz YCEHLIKVHZGQOK-AKIFATBCSA-N 1 2 409.530 2.794 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001170138838 1078048498 /nfs/dbraw/zinc/04/84/98/1078048498.db2.gz FWYKAAUFYJMDOS-ZWKOTPCHSA-N 1 2 405.543 2.746 20 0 HFADLO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)C2=O)cc1OC ZINC000790587371 1078062055 /nfs/dbraw/zinc/06/20/55/1078062055.db2.gz SJNNNGKDJODRIG-PNPHSEOMSA-N 1 2 413.301 2.851 20 0 HFADLO COc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)C2=O)cc1OC ZINC000790587371 1078062058 /nfs/dbraw/zinc/06/20/58/1078062058.db2.gz SJNNNGKDJODRIG-PNPHSEOMSA-N 1 2 413.301 2.851 20 0 HFADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N(CCO)Cc1cccnc1Cl ZINC000793171174 1078094105 /nfs/dbraw/zinc/09/41/05/1078094105.db2.gz OHJFGBCMRXIAOB-UHFFFAOYSA-N 1 2 423.344 2.951 20 0 HFADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N(CCO)Cc1cccnc1Cl ZINC000793171174 1078094109 /nfs/dbraw/zinc/09/41/09/1078094109.db2.gz OHJFGBCMRXIAOB-UHFFFAOYSA-N 1 2 423.344 2.951 20 0 HFADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000793181548 1078095327 /nfs/dbraw/zinc/09/53/27/1078095327.db2.gz HAIYPSSYYJIPCV-HXUWFJFHSA-N 1 2 409.490 2.718 20 0 HFADLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)c1nnnn1C1CC1 ZINC000790717991 1078107428 /nfs/dbraw/zinc/10/74/28/1078107428.db2.gz MDEDWSURLDNWED-CYBMUJFWSA-N 1 2 423.443 2.615 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 ZINC000793240031 1078108477 /nfs/dbraw/zinc/10/84/77/1078108477.db2.gz BNVYMWJAMKZFRG-PDGQHHTCSA-N 1 2 406.471 2.919 20 0 HFADLO Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)OCCc3c[nH+]cn3C)CC2)c(C)c1 ZINC000793250412 1078110317 /nfs/dbraw/zinc/11/03/17/1078110317.db2.gz MWGAKCBCDLRKOV-UHFFFAOYSA-N 1 2 419.547 2.532 20 0 HFADLO COc1ccccc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OCCc1c[nH+]cn1C ZINC000793249304 1078110445 /nfs/dbraw/zinc/11/04/45/1078110445.db2.gz GTKAZXITPUFHIG-AHRSYUTCSA-N 1 2 411.502 2.988 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000793251651 1078110666 /nfs/dbraw/zinc/11/06/66/1078110666.db2.gz RWHYOAURQAGCRE-UHFFFAOYSA-N 1 2 420.318 2.571 20 0 HFADLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000793332747 1078141100 /nfs/dbraw/zinc/14/11/00/1078141100.db2.gz IWQOIPCZIJPLIU-SCTDSRPQSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000793332747 1078141101 /nfs/dbraw/zinc/14/11/01/1078141101.db2.gz IWQOIPCZIJPLIU-SCTDSRPQSA-N 1 2 409.571 2.782 20 0 HFADLO COC(=O)[C@@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1cc(F)ccc1F ZINC000793352124 1078156041 /nfs/dbraw/zinc/15/60/41/1078156041.db2.gz OUQDBRUVGBOFGM-SFHVURJKSA-N 1 2 409.339 2.932 20 0 HFADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(F)(F)C2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000790834182 1078160972 /nfs/dbraw/zinc/16/09/72/1078160972.db2.gz MMFWNTLCHFVHDB-SJORKVTESA-N 1 2 402.869 2.890 20 0 HFADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(F)(F)C2CCOCC2)c2ccc(Cl)cc2)C1 ZINC000790834182 1078160975 /nfs/dbraw/zinc/16/09/75/1078160975.db2.gz MMFWNTLCHFVHDB-SJORKVTESA-N 1 2 402.869 2.890 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000793416363 1078177117 /nfs/dbraw/zinc/17/71/17/1078177117.db2.gz KVTHAGNNYZYUKM-CQSZACIVSA-N 1 2 405.524 2.884 20 0 HFADLO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)C1 ZINC000793597416 1078219895 /nfs/dbraw/zinc/21/98/95/1078219895.db2.gz KTVTXQYCPDLAGV-DRSNIGMVSA-N 1 2 413.518 2.507 20 0 HFADLO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)C1 ZINC000793597416 1078219898 /nfs/dbraw/zinc/21/98/98/1078219898.db2.gz KTVTXQYCPDLAGV-DRSNIGMVSA-N 1 2 413.518 2.507 20 0 HFADLO CCOc1ccc(-c2nnn(C[N@@H+]3CC[C@](C(=O)OC)(c4ccccc4)C3)n2)cc1 ZINC000793597466 1078219905 /nfs/dbraw/zinc/21/99/05/1078219905.db2.gz LLGKDPIHJROVHN-JOCHJYFZSA-N 1 2 407.474 2.513 20 0 HFADLO CCOc1ccc(-c2nnn(C[N@H+]3CC[C@](C(=O)OC)(c4ccccc4)C3)n2)cc1 ZINC000793597466 1078219908 /nfs/dbraw/zinc/21/99/08/1078219908.db2.gz LLGKDPIHJROVHN-JOCHJYFZSA-N 1 2 407.474 2.513 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NCc2ccnc3ccccc23)[C@@H]1c1c[nH+]cn1C ZINC000793617453 1078229206 /nfs/dbraw/zinc/22/92/06/1078229206.db2.gz YTXMWBJXMGLOQZ-XMSQKQJNSA-N 1 2 405.502 2.974 20 0 HFADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793668305 1078245727 /nfs/dbraw/zinc/24/57/27/1078245727.db2.gz FQPAEZVLCKGURZ-KDURUIRLSA-N 1 2 415.453 2.542 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)N[C@](C)(C(C)(C)C)C3=O)CC[C@H]21 ZINC000793704978 1078276024 /nfs/dbraw/zinc/27/60/24/1078276024.db2.gz KUWGACXVGAVZPK-PZPWOCDFSA-N 1 2 408.543 2.632 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)N[C@](C)(C(C)(C)C)C3=O)CC[C@H]21 ZINC000793704978 1078276033 /nfs/dbraw/zinc/27/60/33/1078276033.db2.gz KUWGACXVGAVZPK-PZPWOCDFSA-N 1 2 408.543 2.632 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@@H+]1CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C1)C2 ZINC000793708420 1078277318 /nfs/dbraw/zinc/27/73/18/1078277318.db2.gz PCRNXVUKJTYFMK-APWZRJJASA-N 1 2 401.507 2.940 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@H+]1CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C1)C2 ZINC000793708420 1078277320 /nfs/dbraw/zinc/27/73/20/1078277320.db2.gz PCRNXVUKJTYFMK-APWZRJJASA-N 1 2 401.507 2.940 20 0 HFADLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000793770146 1078306862 /nfs/dbraw/zinc/30/68/62/1078306862.db2.gz QOEDKKKIXOEMNC-GJZGRUSLSA-N 1 2 405.905 2.697 20 0 HFADLO Cc1ccc(C2=CCN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)CC2)cc1 ZINC000793865360 1078327486 /nfs/dbraw/zinc/32/74/86/1078327486.db2.gz LBHSRILBZCPYJI-UHFFFAOYSA-N 1 2 409.555 2.847 20 0 HFADLO Cc1ccc(C2=CCN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)CC2)cc1 ZINC000793865360 1078327487 /nfs/dbraw/zinc/32/74/87/1078327487.db2.gz LBHSRILBZCPYJI-UHFFFAOYSA-N 1 2 409.555 2.847 20 0 HFADLO C[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000793938199 1078352065 /nfs/dbraw/zinc/35/20/65/1078352065.db2.gz RGVALHKKBDOFDC-QZTJIDSGSA-N 1 2 400.567 2.780 20 0 HFADLO C[C@@H]1CCC[C@@H](CNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000793945453 1078354278 /nfs/dbraw/zinc/35/42/78/1078354278.db2.gz YESAIJCTLASONY-QZTJIDSGSA-N 1 2 400.567 2.780 20 0 HFADLO O=C(CN1C(=O)C(F)(F)Oc2ccccc21)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000794247441 1078391799 /nfs/dbraw/zinc/39/17/99/1078391799.db2.gz QZJQUOOTGJMKPY-UHFFFAOYSA-N 1 2 416.359 2.646 20 0 HFADLO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804438215 1078483170 /nfs/dbraw/zinc/48/31/70/1078483170.db2.gz LKVMTPXNWSMEGQ-YJBOKZPZSA-N 1 2 402.926 2.828 20 0 HFADLO O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)Nc1ccccc1-n1cc[nH+]c1 ZINC000747204800 1078494230 /nfs/dbraw/zinc/49/42/30/1078494230.db2.gz LNLJAWFEPQEBJG-UHFFFAOYSA-N 1 2 419.485 2.765 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000804440202 1078504842 /nfs/dbraw/zinc/50/48/42/1078504842.db2.gz VGELHELVXCDKGE-GOEBONIOSA-N 1 2 405.495 2.674 20 0 HFADLO COc1cc(Cl)c(Br)cc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC001129857247 1078537337 /nfs/dbraw/zinc/53/73/37/1078537337.db2.gz OGERPPLBZVIFOE-UHFFFAOYSA-N 1 2 405.720 2.952 20 0 HFADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccc(Oc2ccc(F)cc2)nc1 ZINC001129555154 1078545382 /nfs/dbraw/zinc/54/53/82/1078545382.db2.gz HPXLZRAFSVQTDR-UHFFFAOYSA-N 1 2 415.465 2.624 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C=C\c3cccc(O)c3)C2)CC1 ZINC000804761112 1078612006 /nfs/dbraw/zinc/61/20/06/1078612006.db2.gz WECLONVOMLDUIP-ZEVQVBBLSA-N 1 2 401.507 2.559 20 0 HFADLO Cc1csc(CCCC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804761988 1078614954 /nfs/dbraw/zinc/61/49/54/1078614954.db2.gz ORYCQXGTPWETSY-KRWDZBQOSA-N 1 2 422.595 2.928 20 0 HFADLO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804763751 1078615269 /nfs/dbraw/zinc/61/52/69/1078615269.db2.gz QIJFDZBWEWYFHH-QAPCUYQASA-N 1 2 419.570 2.674 20 0 HFADLO CN(C(=O)c1cc(F)ccc1I)C(C)(C)C[NH+]1CCOCC1 ZINC001129658404 1078642846 /nfs/dbraw/zinc/64/28/46/1078642846.db2.gz FIHXIHGASNUPDN-UHFFFAOYSA-N 1 2 420.266 2.613 20 0 HFADLO O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000747216092 1078666263 /nfs/dbraw/zinc/66/62/63/1078666263.db2.gz XRNQYYSLLAAULM-UHFFFAOYSA-N 1 2 419.485 2.970 20 0 HFADLO Cc1cc(C)c(CNC(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)c[nH+]1 ZINC001129714707 1078669517 /nfs/dbraw/zinc/66/95/17/1078669517.db2.gz RNIRAGCEHWPGHE-LBPRGKRZSA-N 1 2 416.275 2.762 20 0 HFADLO C[C@@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(I)cc1 ZINC001129727506 1078677581 /nfs/dbraw/zinc/67/75/81/1078677581.db2.gz LZTHGGUGJMMAQD-CYBMUJFWSA-N 1 2 416.303 2.622 20 0 HFADLO CN(CCC[N@H+](C)Cc1ccco1)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000804869492 1078692926 /nfs/dbraw/zinc/69/29/26/1078692926.db2.gz SAMOUSRYHJMNGK-UHFFFAOYSA-N 1 2 414.531 2.649 20 0 HFADLO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000804869492 1078692935 /nfs/dbraw/zinc/69/29/35/1078692935.db2.gz SAMOUSRYHJMNGK-UHFFFAOYSA-N 1 2 414.531 2.649 20 0 HFADLO COC(=O)c1cnc(Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)nc1 ZINC000804646536 1078700742 /nfs/dbraw/zinc/70/07/42/1078700742.db2.gz FHFAEYZUYQHQHT-UHFFFAOYSA-N 1 2 406.284 2.521 20 0 HFADLO COc1ccc(CN2CC[C@H](Nc3[nH+]cnc4c3cnn4C(C)(C)C)C2=O)c(OC)c1 ZINC000804855409 1078726294 /nfs/dbraw/zinc/72/62/94/1078726294.db2.gz QIJNMWHGBADXSA-KRWDZBQOSA-N 1 2 424.505 2.812 20 0 HFADLO Cc1ccc(N2CCN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2=O)cc1 ZINC000804900129 1078755859 /nfs/dbraw/zinc/75/58/59/1078755859.db2.gz ZRPAVZZSYCTCHY-UHFFFAOYSA-N 1 2 403.486 2.798 20 0 HFADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)OC[C@H]4CCCO4)CC3)n2)cc1 ZINC000804949698 1078778089 /nfs/dbraw/zinc/77/80/89/1078778089.db2.gz YDRZLPTWRVCLMS-LJQANCHMSA-N 1 2 414.506 2.911 20 0 HFADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)c3cnc(Cl)c(F)c3)CC2)oc1C ZINC000804994286 1078845448 /nfs/dbraw/zinc/84/54/48/1078845448.db2.gz GOHIKUDUYNZGGP-UHFFFAOYSA-N 1 2 416.906 2.669 20 0 HFADLO COCCC1(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCC1 ZINC000805203232 1078961454 /nfs/dbraw/zinc/96/14/54/1078961454.db2.gz XJEICMCWNHYDKP-GOSISDBHSA-N 1 2 424.586 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000805213955 1078989347 /nfs/dbraw/zinc/98/93/47/1078989347.db2.gz XWUFQRVFQPXMSN-GJZGRUSLSA-N 1 2 402.486 2.511 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCC3(C4CC4)CCC3)C2)CC1 ZINC000805225173 1078992633 /nfs/dbraw/zinc/99/26/33/1078992633.db2.gz CVTRZNHBEDDAOZ-SFHVURJKSA-N 1 2 406.571 2.903 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000805476926 1079092153 /nfs/dbraw/zinc/09/21/53/1079092153.db2.gz AXLMYFSAHIHYHN-QMTHXVAHSA-N 1 2 408.804 2.950 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000805476926 1079092158 /nfs/dbraw/zinc/09/21/58/1079092158.db2.gz AXLMYFSAHIHYHN-QMTHXVAHSA-N 1 2 408.804 2.950 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC=CO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805515732 1079114888 /nfs/dbraw/zinc/11/48/88/1079114888.db2.gz LOTNNPANZKWJGM-JLSDUUJJSA-N 1 2 409.889 2.540 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC=CO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805515732 1079114890 /nfs/dbraw/zinc/11/48/90/1079114890.db2.gz LOTNNPANZKWJGM-JLSDUUJJSA-N 1 2 409.889 2.540 20 0 HFADLO C[C@@H](CNC(=O)c1cn(C(C)(C)C)nc1Br)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259774 1079149146 /nfs/dbraw/zinc/14/91/46/1079149146.db2.gz LPHWVWUPZVCMCO-RWMBFGLXSA-N 1 2 401.349 2.628 20 0 HFADLO C[C@@H](CNC(=O)c1cn(C(C)(C)C)nc1Br)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259774 1079149152 /nfs/dbraw/zinc/14/91/52/1079149152.db2.gz LPHWVWUPZVCMCO-RWMBFGLXSA-N 1 2 401.349 2.628 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC001130272150 1079167078 /nfs/dbraw/zinc/16/70/78/1079167078.db2.gz HBFJKMAUSBHMAE-INIZCTEOSA-N 1 2 412.440 2.788 20 0 HFADLO COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000747255891 1079174563 /nfs/dbraw/zinc/17/45/63/1079174563.db2.gz HLTPIHQRTDPRRJ-WEVVVXLNSA-N 1 2 415.446 2.676 20 0 HFADLO COC(=O)/C=C\c1ccc(S(=O)(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000747256776 1079189177 /nfs/dbraw/zinc/18/91/77/1079189177.db2.gz ZSCSAPHJJXFPQM-FLIBITNWSA-N 1 2 404.488 2.714 20 0 HFADLO Cc1ccc(CC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(Cl)n1 ZINC000805665866 1079210249 /nfs/dbraw/zinc/21/02/49/1079210249.db2.gz CXIHAIZHTNNUIC-UHFFFAOYSA-N 1 2 407.923 2.535 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCc1cc(Cl)ccc1OC ZINC000805774274 1079246985 /nfs/dbraw/zinc/24/69/85/1079246985.db2.gz FYHMGEKLFWDGJP-QGZVFWFLSA-N 1 2 411.930 2.956 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCc1cc(Cl)ccc1OC ZINC000805774274 1079246990 /nfs/dbraw/zinc/24/69/90/1079246990.db2.gz FYHMGEKLFWDGJP-QGZVFWFLSA-N 1 2 411.930 2.956 20 0 HFADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](CCCO)Cc3ccccn3)cc2)C[C@H](C)O1 ZINC000805755204 1079260307 /nfs/dbraw/zinc/26/03/07/1079260307.db2.gz POMSMSMGZOGICS-KDURUIRLSA-N 1 2 412.534 2.518 20 0 HFADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+](CCCO)Cc3ccccn3)cc2)C[C@H](C)O1 ZINC000805755204 1079260313 /nfs/dbraw/zinc/26/03/13/1079260313.db2.gz POMSMSMGZOGICS-KDURUIRLSA-N 1 2 412.534 2.518 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NCc1cc(Cl)ccc1OC ZINC000805762732 1079263797 /nfs/dbraw/zinc/26/37/97/1079263797.db2.gz SRGIXHNFQPDVFJ-QGZVFWFLSA-N 1 2 411.930 2.908 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NCc1cc(Cl)ccc1OC ZINC000805762732 1079263800 /nfs/dbraw/zinc/26/38/00/1079263800.db2.gz SRGIXHNFQPDVFJ-QGZVFWFLSA-N 1 2 411.930 2.908 20 0 HFADLO Cn1cc[nH+]c1C[C@H](NC(=O)NCCn1cc(Br)cn1)c1ccccc1 ZINC000805840604 1079278267 /nfs/dbraw/zinc/27/82/67/1079278267.db2.gz UACSNHPLWJYFKM-INIZCTEOSA-N 1 2 417.311 2.662 20 0 HFADLO CC(C)C[N@@H+]1CCO[C@H](COC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000805882065 1079335654 /nfs/dbraw/zinc/33/56/54/1079335654.db2.gz PUYWDSSKZTXKHT-INIZCTEOSA-N 1 2 417.955 2.792 20 0 HFADLO CC(C)C[N@H+]1CCO[C@H](COC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000805882065 1079335658 /nfs/dbraw/zinc/33/56/58/1079335658.db2.gz PUYWDSSKZTXKHT-INIZCTEOSA-N 1 2 417.955 2.792 20 0 HFADLO Cc1nc(C[NH+]2CCC(C(=O)OCCn3cnc4ccsc4c3=O)CC2)cs1 ZINC000805886153 1079338686 /nfs/dbraw/zinc/33/86/86/1079338686.db2.gz QJIVCDLVOLMOEY-UHFFFAOYSA-N 1 2 418.544 2.678 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)ccc1F ZINC000747281382 1079353113 /nfs/dbraw/zinc/35/31/13/1079353113.db2.gz FJYAZLHFDSTBHE-HNNXBMFYSA-N 1 2 415.446 2.802 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000806180698 1079499395 /nfs/dbraw/zinc/49/93/95/1079499395.db2.gz HRYFACYSMOWCKS-ZBFHGGJFSA-N 1 2 406.914 2.794 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000806180697 1079499424 /nfs/dbraw/zinc/49/94/24/1079499424.db2.gz HRYFACYSMOWCKS-HOCLYGCPSA-N 1 2 406.914 2.794 20 0 HFADLO C[C@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1OC(F)F ZINC000787377089 1076779077 /nfs/dbraw/zinc/77/90/77/1076779077.db2.gz YRFLZWGDFZRYCT-UONOGXRCSA-N 1 2 406.433 2.605 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000787355184 1076795051 /nfs/dbraw/zinc/79/50/51/1076795051.db2.gz UXZZYILBDCTPNB-LJQANCHMSA-N 1 2 412.534 2.883 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000787355184 1076795058 /nfs/dbraw/zinc/79/50/58/1076795058.db2.gz UXZZYILBDCTPNB-LJQANCHMSA-N 1 2 412.534 2.883 20 0 HFADLO C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)c1cnn(C)c1 ZINC000787384855 1076803410 /nfs/dbraw/zinc/80/34/10/1076803410.db2.gz XEKVTVIFKFRWQJ-ZDUSSCGKSA-N 1 2 406.328 2.677 20 0 HFADLO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787387423 1076804550 /nfs/dbraw/zinc/80/45/50/1076804550.db2.gz YSTSVQMSFNPXEC-QAPCUYQASA-N 1 2 405.543 2.546 20 0 HFADLO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787387423 1076804555 /nfs/dbraw/zinc/80/45/55/1076804555.db2.gz YSTSVQMSFNPXEC-QAPCUYQASA-N 1 2 405.543 2.546 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCc4n[nH]cc4C3)cc2Br)CC1 ZINC000787389925 1076805450 /nfs/dbraw/zinc/80/54/50/1076805450.db2.gz PFSKBYYGMSDSEZ-CYBMUJFWSA-N 1 2 418.339 2.668 20 0 HFADLO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000787389306 1076805579 /nfs/dbraw/zinc/80/55/79/1076805579.db2.gz JCDLNVFZHDEHJP-UHFFFAOYSA-N 1 2 405.296 2.857 20 0 HFADLO C[N@H+](CC(F)F)C1CCN(C(=O)CCCOc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000787395180 1076806386 /nfs/dbraw/zinc/80/63/86/1076806386.db2.gz ISAJCSOVCVHLMP-UHFFFAOYSA-N 1 2 409.477 2.918 20 0 HFADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCCOc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000787395180 1076806388 /nfs/dbraw/zinc/80/63/88/1076806388.db2.gz ISAJCSOVCVHLMP-UHFFFAOYSA-N 1 2 409.477 2.918 20 0 HFADLO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C[C@@H]1C ZINC000787483235 1076840176 /nfs/dbraw/zinc/84/01/76/1076840176.db2.gz PCGCKDANSCBFOA-HRCADAONSA-N 1 2 405.543 2.689 20 0 HFADLO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C[C@@H]1C ZINC000787483235 1076840182 /nfs/dbraw/zinc/84/01/82/1076840182.db2.gz PCGCKDANSCBFOA-HRCADAONSA-N 1 2 405.543 2.689 20 0 HFADLO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C[C@@H]1C ZINC000787483238 1076840316 /nfs/dbraw/zinc/84/03/16/1076840316.db2.gz PCGCKDANSCBFOA-JYJNAYRXSA-N 1 2 405.543 2.689 20 0 HFADLO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C[C@@H]1C ZINC000787483238 1076840323 /nfs/dbraw/zinc/84/03/23/1076840323.db2.gz PCGCKDANSCBFOA-JYJNAYRXSA-N 1 2 405.543 2.689 20 0 HFADLO COc1ncccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787531444 1076850777 /nfs/dbraw/zinc/85/07/77/1076850777.db2.gz BLXWCXXFMWLUCG-UHFFFAOYSA-N 1 2 405.296 2.857 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)CCCn3cccn3)cc2Br)CC1 ZINC000787534247 1076851263 /nfs/dbraw/zinc/85/12/63/1076851263.db2.gz VYQZVEYDCPZTOV-UHFFFAOYSA-N 1 2 406.328 2.816 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)C3SCCS3)cc2Br)CC1 ZINC000787676527 1076896781 /nfs/dbraw/zinc/89/67/81/1076896781.db2.gz WSNUPIFEVXVTHX-UHFFFAOYSA-N 1 2 402.383 2.946 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3cccc4n[nH]nc43)cc2Br)CC1 ZINC000787667046 1076904046 /nfs/dbraw/zinc/90/40/46/1076904046.db2.gz BZMOSAQFVLGVDK-UHFFFAOYSA-N 1 2 415.295 2.725 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3CO)cc2Br)CC1 ZINC000787668500 1076905136 /nfs/dbraw/zinc/90/51/36/1076905136.db2.gz VRPSMUBBPMPJNI-UHFFFAOYSA-N 1 2 418.335 2.874 20 0 HFADLO Cc1cnc(Cl)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000787892833 1076981062 /nfs/dbraw/zinc/98/10/62/1076981062.db2.gz YRSBLNRNULDECX-HOCLYGCPSA-N 1 2 408.836 2.822 20 0 HFADLO Cc1cnc(Cl)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000787892833 1076981063 /nfs/dbraw/zinc/98/10/63/1076981063.db2.gz YRSBLNRNULDECX-HOCLYGCPSA-N 1 2 408.836 2.822 20 0 HFADLO C[C@@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(OC(F)F)cc1 ZINC000787855078 1076981647 /nfs/dbraw/zinc/98/16/47/1076981647.db2.gz MZPWPLXDUXTXBW-HIFRSBDPSA-N 1 2 406.433 2.605 20 0 HFADLO C[C@@H](NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC(F)F)c1 ZINC000787864875 1076986612 /nfs/dbraw/zinc/98/66/12/1076986612.db2.gz RHDKGRCFWAYAJT-CQSZACIVSA-N 1 2 414.412 2.967 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3ccsc3)cc2Br)CC1 ZINC000787900438 1077004222 /nfs/dbraw/zinc/00/42/22/1077004222.db2.gz AZUZYZWYBLTIOL-UHFFFAOYSA-N 1 2 423.336 2.840 20 0 HFADLO CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787986310 1077032884 /nfs/dbraw/zinc/03/28/84/1077032884.db2.gz BETHCYBEGRAZFH-GOSISDBHSA-N 1 2 423.355 2.540 20 0 HFADLO CN(C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCCCCCC1 ZINC000788026470 1077034354 /nfs/dbraw/zinc/03/43/54/1077034354.db2.gz VWUZJPMJVRVAKT-UHFFFAOYSA-N 1 2 418.557 2.635 20 0 HFADLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ncc(C3(O)CCCCC3)s2)CC1 ZINC000788155239 1077070368 /nfs/dbraw/zinc/07/03/68/1077070368.db2.gz XRKJFVBKOGQNQS-UHFFFAOYSA-N 1 2 403.552 2.879 20 0 HFADLO CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)nn1 ZINC000788244850 1077085639 /nfs/dbraw/zinc/08/56/39/1077085639.db2.gz OZOOFZPQBRCAHV-HNNXBMFYSA-N 1 2 412.538 2.951 20 0 HFADLO CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)nn1 ZINC000788244850 1077085645 /nfs/dbraw/zinc/08/56/45/1077085645.db2.gz OZOOFZPQBRCAHV-HNNXBMFYSA-N 1 2 412.538 2.951 20 0 HFADLO Cc1nc(-c2ccc(Br)cc2)nn1CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000788379635 1077135319 /nfs/dbraw/zinc/13/53/19/1077135319.db2.gz WQDCAZRDINVUPL-AWEZNQCLSA-N 1 2 408.344 2.626 20 0 HFADLO COc1ccc([C@H](CNc2ccnc(C(=O)N3CCCCC3)c2)[NH+]2CCOCC2)cc1 ZINC000788450772 1077163716 /nfs/dbraw/zinc/16/37/16/1077163716.db2.gz YGFOWCXEMBZVAH-QHCPKHFHSA-N 1 2 424.545 2.624 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)c(C)c1Cl ZINC000788546796 1077196473 /nfs/dbraw/zinc/19/64/73/1077196473.db2.gz CNDCIFWFXKGVBM-UHFFFAOYSA-N 1 2 403.913 2.783 20 0 HFADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1nc(Br)ccc1Br ZINC000790928266 1077235843 /nfs/dbraw/zinc/23/58/43/1077235843.db2.gz FKNKDVDJLQFHTB-MRVPVSSYSA-N 1 2 400.074 2.548 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000788640888 1077243558 /nfs/dbraw/zinc/24/35/58/1077243558.db2.gz MIEMJXRCGAOIIA-UHFFFAOYSA-N 1 2 422.473 2.835 20 0 HFADLO CN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788757268 1077278077 /nfs/dbraw/zinc/27/80/77/1077278077.db2.gz ZUSHPBISFGEBHA-OAQYLSRUSA-N 1 2 403.486 2.815 20 0 HFADLO Cc1cc(C(=O)NC2CC[NH+](CN3C(=O)C[C@H](Cc4ccccc4)C3=O)CC2)c(C)o1 ZINC000788769951 1077283079 /nfs/dbraw/zinc/28/30/79/1077283079.db2.gz GYQCDZRXPOZIOM-IBGZPJMESA-N 1 2 423.513 2.666 20 0 HFADLO CC(C)(C)OC(=O)NC1CC[NH+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1 ZINC000788772922 1077296378 /nfs/dbraw/zinc/29/63/78/1077296378.db2.gz SNGNBJOQBQSCCV-KRWDZBQOSA-N 1 2 401.507 2.551 20 0 HFADLO COc1cc2c(cc1OC)CC[NH+](CN1C(=O)C[C@@H](Cc3ccccc3)C1=O)CC2 ZINC000788773984 1077296783 /nfs/dbraw/zinc/29/67/83/1077296783.db2.gz ZLGMRYHOSGKHIG-HXUWFJFHSA-N 1 2 408.498 2.680 20 0 HFADLO CC1(C)NC(=O)N(CCCC(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1=O ZINC000791273167 1077355933 /nfs/dbraw/zinc/35/59/33/1077355933.db2.gz NMUZPBZSEXOHBE-HNNXBMFYSA-N 1 2 415.538 2.542 20 0 HFADLO CC1(C)NC(=O)N(CCCC(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C1=O ZINC000791273167 1077355939 /nfs/dbraw/zinc/35/59/39/1077355939.db2.gz NMUZPBZSEXOHBE-HNNXBMFYSA-N 1 2 415.538 2.542 20 0 HFADLO Cc1ccc(C)c(S(=O)(=O)NCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000791294621 1077359159 /nfs/dbraw/zinc/35/91/59/1077359159.db2.gz DFMUOIGKBNDNLX-UHFFFAOYSA-N 1 2 413.499 2.819 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)[nH+]c12 ZINC000746774927 1077364176 /nfs/dbraw/zinc/36/41/76/1077364176.db2.gz ADLNGPNDIIGWEH-MRXNPFEDSA-N 1 2 401.511 2.836 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000791320487 1077372990 /nfs/dbraw/zinc/37/29/90/1077372990.db2.gz OXTPHAVCZSSCCA-CQSZACIVSA-N 1 2 405.501 2.652 20 0 HFADLO COCCS(=O)(=O)c1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000791361814 1077393478 /nfs/dbraw/zinc/39/34/78/1077393478.db2.gz AEWLPDDWLGVRSO-UHFFFAOYSA-N 1 2 414.483 2.958 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CNC(=O)N1CCc2ccccc2C1 ZINC000791387572 1077396264 /nfs/dbraw/zinc/39/62/64/1077396264.db2.gz WFRNMNNDIUGDMP-UHFFFAOYSA-N 1 2 404.470 2.992 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000791402085 1077399327 /nfs/dbraw/zinc/39/93/27/1077399327.db2.gz RVZWRDKZHZHRGO-UHFFFAOYSA-N 1 2 417.425 2.683 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC000791405976 1077400875 /nfs/dbraw/zinc/40/08/75/1077400875.db2.gz BFNGLFRISPSMFK-UHFFFAOYSA-N 1 2 401.463 2.860 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000789051020 1077401719 /nfs/dbraw/zinc/40/17/19/1077401719.db2.gz AHOWMVZZSNWOQA-ZIAGYGMSSA-N 1 2 407.902 2.813 20 0 HFADLO O=S(=O)(CC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1)Cc1ccccc1 ZINC000791449537 1077411087 /nfs/dbraw/zinc/41/10/87/1077411087.db2.gz CHZTUYNTKVAUJY-IBGZPJMESA-N 1 2 402.564 2.799 20 0 HFADLO O=S(=O)(CC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1)Cc1ccccc1 ZINC000791449537 1077411094 /nfs/dbraw/zinc/41/10/94/1077411094.db2.gz CHZTUYNTKVAUJY-IBGZPJMESA-N 1 2 402.564 2.799 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C2)c1 ZINC000791489457 1077429265 /nfs/dbraw/zinc/42/92/65/1077429265.db2.gz BSKPYUTVSSKHKH-HXUWFJFHSA-N 1 2 410.474 2.508 20 0 HFADLO Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000746789441 1077434564 /nfs/dbraw/zinc/43/45/64/1077434564.db2.gz MSJKENXBUIKLEL-OAQYLSRUSA-N 1 2 407.514 2.924 20 0 HFADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1nc(Br)ccc1F ZINC000791461016 1077434506 /nfs/dbraw/zinc/43/45/06/1077434506.db2.gz QGCGVCNZTWGERF-CQSZACIVSA-N 1 2 408.271 2.614 20 0 HFADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1nc(Br)ccc1F ZINC000791461016 1077434509 /nfs/dbraw/zinc/43/45/09/1077434509.db2.gz QGCGVCNZTWGERF-CQSZACIVSA-N 1 2 408.271 2.614 20 0 HFADLO O=C(c1nc(Br)ccc1F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000791471951 1077444139 /nfs/dbraw/zinc/44/41/39/1077444139.db2.gz BQFQJTLHBQKOAS-UHFFFAOYSA-N 1 2 408.271 2.820 20 0 HFADLO Fc1ccc(CCNC(=S)NCc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000789209514 1077463544 /nfs/dbraw/zinc/46/35/44/1077463544.db2.gz XOOBZOBCMSVTMK-UHFFFAOYSA-N 1 2 417.550 2.744 20 0 HFADLO Cc1cccc(-n2ncc(C(=O)N3CC[NH2+][C@H](c4cnn(C)c4)C3)c2C(F)(F)F)c1 ZINC001170100543 1077494146 /nfs/dbraw/zinc/49/41/46/1077494146.db2.gz DDKGNGQDCIUHEQ-KRWDZBQOSA-N 1 2 418.423 2.720 20 0 HFADLO CC(C)[C@H](Nc1c2[nH+]ccn2ccc1I)C(=O)N1CCCC1 ZINC001170156873 1077495183 /nfs/dbraw/zinc/49/51/83/1077495183.db2.gz CYMVYOZEWOGJKP-ZDUSSCGKSA-N 1 2 412.275 2.998 20 0 HFADLO Nc1cc(COC(=O)CCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc[nH+]1 ZINC000791593419 1077496555 /nfs/dbraw/zinc/49/65/55/1077496555.db2.gz UDDBOWIWRKXSKW-UHFFFAOYSA-N 1 2 418.302 2.773 20 0 HFADLO CC[C@@H](C)n1ncc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1C ZINC000791663233 1077516940 /nfs/dbraw/zinc/51/69/40/1077516940.db2.gz KMQOCQFGFIIYFJ-OAHLLOKOSA-N 1 2 404.536 2.725 20 0 HFADLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000789339806 1077527741 /nfs/dbraw/zinc/52/77/41/1077527741.db2.gz HCXKQTJSARPPGQ-NSHDSACASA-N 1 2 401.330 2.713 20 0 HFADLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000789339806 1077527747 /nfs/dbraw/zinc/52/77/47/1077527747.db2.gz HCXKQTJSARPPGQ-NSHDSACASA-N 1 2 401.330 2.713 20 0 HFADLO CCOC(=O)C1(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCCC1 ZINC000791851031 1077584110 /nfs/dbraw/zinc/58/41/10/1077584110.db2.gz CLSGDPGTUSTMGQ-UHFFFAOYSA-N 1 2 412.490 2.765 20 0 HFADLO Cc1csc([C@@](O)(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C(F)(F)F)n1 ZINC000746819171 1077605319 /nfs/dbraw/zinc/60/53/19/1077605319.db2.gz RJJUZWLGZUMLCX-INIZCTEOSA-N 1 2 419.494 2.997 20 0 HFADLO CCOC(=O)c1nc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)nc2ccccc21 ZINC001170162252 1077688883 /nfs/dbraw/zinc/68/88/83/1077688883.db2.gz OTRAPSCUDNIFRV-UHFFFAOYSA-N 1 2 420.473 2.675 20 0 HFADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789769948 1077771012 /nfs/dbraw/zinc/77/10/12/1077771012.db2.gz PVJRKVKOLZTVID-FQEVSTJZSA-N 1 2 401.898 2.625 20 0 HFADLO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789769948 1077771020 /nfs/dbraw/zinc/77/10/20/1077771020.db2.gz PVJRKVKOLZTVID-FQEVSTJZSA-N 1 2 401.898 2.625 20 0 HFADLO Cc1cnc(Cl)c(NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000789796093 1077801947 /nfs/dbraw/zinc/80/19/47/1077801947.db2.gz HKOUUKFKZJVCND-UHFFFAOYSA-N 1 2 401.898 2.921 20 0 HFADLO COC(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1 ZINC000792389449 1077831706 /nfs/dbraw/zinc/83/17/06/1077831706.db2.gz OYXVCGOQOQBNRW-UHFFFAOYSA-N 1 2 401.438 2.798 20 0 HFADLO O=C(CC[NH+]1CCOCC1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000789920446 1077847565 /nfs/dbraw/zinc/84/75/65/1077847565.db2.gz DAXDONTXJQJJDD-UHFFFAOYSA-N 1 2 423.922 2.802 20 0 HFADLO COCC[N@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CC[C@H](C)C1 ZINC000792466609 1077860038 /nfs/dbraw/zinc/86/00/38/1077860038.db2.gz ZPXMSFGNQPOYQJ-ZFWWWQNUSA-N 1 2 404.479 2.758 20 0 HFADLO COCC[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CC[C@H](C)C1 ZINC000792466609 1077860047 /nfs/dbraw/zinc/86/00/47/1077860047.db2.gz ZPXMSFGNQPOYQJ-ZFWWWQNUSA-N 1 2 404.479 2.758 20 0 HFADLO CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)=NO1 ZINC000789957921 1077869386 /nfs/dbraw/zinc/86/93/86/1077869386.db2.gz GGNYXYPHWURLOZ-ZDUSSCGKSA-N 1 2 403.414 2.620 20 0 HFADLO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000789960877 1077871118 /nfs/dbraw/zinc/87/11/18/1077871118.db2.gz WVYHHUDOOCGVBX-CPUCHLNUSA-N 1 2 415.456 2.937 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000789974344 1077902597 /nfs/dbraw/zinc/90/25/97/1077902597.db2.gz WRMGMFRSDUWYLD-PKOBYXMFSA-N 1 2 409.571 2.783 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000789974344 1077902598 /nfs/dbraw/zinc/90/25/98/1077902598.db2.gz WRMGMFRSDUWYLD-PKOBYXMFSA-N 1 2 409.571 2.783 20 0 HFADLO CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2ccc(N3CCOCC3)c[nH+]2)OC(C)(C)O1 ZINC001170207927 1077906803 /nfs/dbraw/zinc/90/68/03/1077906803.db2.gz KSNBKELCSSMYAN-MSOLQXFVSA-N 1 2 421.538 2.972 20 0 HFADLO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1[C@H](C)Cc1ccccc1Cl ZINC001170275833 1077926543 /nfs/dbraw/zinc/92/65/43/1077926543.db2.gz YUYSVPIKERXIJI-PBHICJAKSA-N 1 2 400.914 2.794 20 0 HFADLO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1[C@H](C)Cc1ccccc1Cl ZINC001170275833 1077926547 /nfs/dbraw/zinc/92/65/47/1077926547.db2.gz YUYSVPIKERXIJI-PBHICJAKSA-N 1 2 400.914 2.794 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)c1C ZINC000790050648 1077930241 /nfs/dbraw/zinc/93/02/41/1077930241.db2.gz WRSINVUZGZQSND-UHFFFAOYSA-N 1 2 424.545 2.672 20 0 HFADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001170281257 1077936822 /nfs/dbraw/zinc/93/68/22/1077936822.db2.gz ZTHRRDOHALFYBB-CHWSQXEVSA-N 1 2 403.832 2.930 20 0 HFADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001170281257 1077936825 /nfs/dbraw/zinc/93/68/25/1077936825.db2.gz ZTHRRDOHALFYBB-CHWSQXEVSA-N 1 2 403.832 2.930 20 0 HFADLO Cc1[nH]c(-c2cccc(NC(=O)c3nc(S(C)(=O)=O)n4ccccc34)c2)[nH+]c1C ZINC000746881084 1077949956 /nfs/dbraw/zinc/94/99/56/1077949956.db2.gz JGXBNXSTCUOWIX-UHFFFAOYSA-N 1 2 409.471 2.997 20 0 HFADLO CC(C)OCc1noc(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)n1 ZINC001170365774 1077950960 /nfs/dbraw/zinc/95/09/60/1077950960.db2.gz QKTZNRUBJPBEMA-APWZRJJASA-N 1 2 424.542 2.889 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1sccc1NC(=O)c1ccncc1 ZINC000790128760 1077951194 /nfs/dbraw/zinc/95/11/94/1077951194.db2.gz SWBRLXGMATYQDX-UHFFFAOYSA-N 1 2 402.520 2.578 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1sccc1NC(=O)c1ccncc1 ZINC000790128760 1077951198 /nfs/dbraw/zinc/95/11/98/1077951198.db2.gz SWBRLXGMATYQDX-UHFFFAOYSA-N 1 2 402.520 2.578 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000790130692 1077951801 /nfs/dbraw/zinc/95/18/01/1077951801.db2.gz BWAUWQWWXYXXIR-VGOFRKELSA-N 1 2 405.539 2.606 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000790133758 1077952964 /nfs/dbraw/zinc/95/29/64/1077952964.db2.gz ZRFRNOMNOCPZCD-ZDUSSCGKSA-N 1 2 403.401 2.590 20 0 HFADLO Cc1nn(-c2ccccc2)c2ncc(C(=O)N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc12 ZINC000790122262 1077958219 /nfs/dbraw/zinc/95/82/19/1077958219.db2.gz PRDWERRMMKFGRV-CALCHBBNSA-N 1 2 407.518 2.910 20 0 HFADLO Cc1nn(-c2ccccc2)c2ncc(C(=O)N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc12 ZINC000790122262 1077958220 /nfs/dbraw/zinc/95/82/20/1077958220.db2.gz PRDWERRMMKFGRV-CALCHBBNSA-N 1 2 407.518 2.910 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(F)cc2NC(=O)c2ccoc2)C[C@H](C)O1 ZINC000790126043 1077959869 /nfs/dbraw/zinc/95/98/69/1077959869.db2.gz IQCYFBUSSSSJOB-GASCZTMLSA-N 1 2 403.454 2.852 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(F)cc2NC(=O)c2ccoc2)C[C@H](C)O1 ZINC000790126043 1077959871 /nfs/dbraw/zinc/95/98/71/1077959871.db2.gz IQCYFBUSSSSJOB-GASCZTMLSA-N 1 2 403.454 2.852 20 0 HFADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N(CCO)Cc1cccnc1Cl ZINC000792811795 1078001786 /nfs/dbraw/zinc/00/17/86/1078001786.db2.gz MESAZKBZFHLJGM-UHFFFAOYSA-N 1 2 403.914 2.824 20 0 HFADLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)Nc1ccc(N3C[C@@H](C)O[C@H](C)C3)cc1)C[C@H](C)O2 ZINC000790385011 1078010734 /nfs/dbraw/zinc/01/07/34/1078010734.db2.gz CZAZCKLNFMQVTE-WWGUSRDYSA-N 1 2 417.550 2.507 20 0 HFADLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)Nc1ccc(N3C[C@@H](C)O[C@H](C)C3)cc1)C[C@H](C)O2 ZINC000790385011 1078010739 /nfs/dbraw/zinc/01/07/39/1078010739.db2.gz CZAZCKLNFMQVTE-WWGUSRDYSA-N 1 2 417.550 2.507 20 0 HFADLO C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@@H]1Cc1ccccc1 ZINC000790461649 1078027612 /nfs/dbraw/zinc/02/76/12/1078027612.db2.gz VDBIVKYVWAUQOG-INIZCTEOSA-N 1 2 404.923 2.535 20 0 HFADLO C[N@H+]1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@@H]1Cc1ccccc1 ZINC000790461649 1078027616 /nfs/dbraw/zinc/02/76/16/1078027616.db2.gz VDBIVKYVWAUQOG-INIZCTEOSA-N 1 2 404.923 2.535 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@@H+]1CCCN(c3cc(OC)cc(OC)c3)CC1)C2 ZINC000790441795 1078032604 /nfs/dbraw/zinc/03/26/04/1078032604.db2.gz CCCAVHXMQLVWNE-UHFFFAOYSA-N 1 2 411.502 2.838 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@H+]1CCCN(c3cc(OC)cc(OC)c3)CC1)C2 ZINC000790441795 1078032610 /nfs/dbraw/zinc/03/26/10/1078032610.db2.gz CCCAVHXMQLVWNE-UHFFFAOYSA-N 1 2 411.502 2.838 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@@H+]1CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC000790442321 1078033212 /nfs/dbraw/zinc/03/32/12/1078033212.db2.gz VXSXAPVUXXLHDS-QFIPXVFZSA-N 1 2 401.507 2.941 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@H+]1CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC000790442321 1078033218 /nfs/dbraw/zinc/03/32/18/1078033218.db2.gz VXSXAPVUXXLHDS-QFIPXVFZSA-N 1 2 401.507 2.941 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(Cl)nc2)[C@@H]1c1c[nH+]cn1C ZINC000792961586 1078036390 /nfs/dbraw/zinc/03/63/90/1078036390.db2.gz CMRAKRAYXJEXOM-DNVCBOLYSA-N 1 2 403.914 2.817 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cs1 ZINC000792994056 1078043457 /nfs/dbraw/zinc/04/34/57/1078043457.db2.gz BTZCIKNNDRXBGD-UHFFFAOYSA-N 1 2 419.551 2.716 20 0 HFADLO COc1ccccc1CNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806285671 1079547977 /nfs/dbraw/zinc/54/79/77/1079547977.db2.gz MZKOHHIJXUTOGL-SFHVURJKSA-N 1 2 418.538 2.532 20 0 HFADLO COC(=O)Nc1cccc(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000806299770 1079551193 /nfs/dbraw/zinc/55/11/93/1079551193.db2.gz ZMYOTEQSYYVXBL-HXUWFJFHSA-N 1 2 412.490 2.565 20 0 HFADLO COC(=O)Nc1cccc(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000806299770 1079551199 /nfs/dbraw/zinc/55/11/99/1079551199.db2.gz ZMYOTEQSYYVXBL-HXUWFJFHSA-N 1 2 412.490 2.565 20 0 HFADLO COc1ccc(F)cc1NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806382407 1079632446 /nfs/dbraw/zinc/63/24/46/1079632446.db2.gz KMEGEFKBCNEFQY-MRXNPFEDSA-N 1 2 422.501 2.993 20 0 HFADLO Cc1ccc(NC(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(N(C)C)[nH+]1 ZINC000806362198 1079648469 /nfs/dbraw/zinc/64/84/69/1079648469.db2.gz TYAVQNMFDXVIHP-CYBMUJFWSA-N 1 2 401.433 2.911 20 0 HFADLO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2CC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001130633539 1079719483 /nfs/dbraw/zinc/71/94/83/1079719483.db2.gz SUHLZDPYPGFNLI-NMLBUPMWSA-N 1 2 421.582 2.878 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCc3ccc(Cl)nc3)CC2)C1 ZINC000806460607 1079734434 /nfs/dbraw/zinc/73/44/34/1079734434.db2.gz KZMBKRYLQVLSTJ-INIZCTEOSA-N 1 2 423.945 2.572 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCCOC3CCCCC3)C2)CC1 ZINC000806499202 1079749218 /nfs/dbraw/zinc/74/92/18/1079749218.db2.gz DAMJWZHVRVKWGG-SFHVURJKSA-N 1 2 424.586 2.672 20 0 HFADLO CN(C)S(=O)(=O)c1cc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000806542631 1079781553 /nfs/dbraw/zinc/78/15/53/1079781553.db2.gz VNUMYHKPEDMWRK-INIZCTEOSA-N 1 2 411.503 2.509 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=S)NC(C3CC3)C3CC3)CC2)C1 ZINC000806609051 1079853085 /nfs/dbraw/zinc/85/30/85/1079853085.db2.gz MIAMBJQGAFJZLG-QGZVFWFLSA-N 1 2 408.612 2.677 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000806668529 1079929172 /nfs/dbraw/zinc/92/91/72/1079929172.db2.gz OCHNDKQKONHDHU-ZWKOTPCHSA-N 1 2 424.586 2.719 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000806668528 1079929236 /nfs/dbraw/zinc/92/92/36/1079929236.db2.gz OCHNDKQKONHDHU-ROUUACIJSA-N 1 2 424.586 2.719 20 0 HFADLO CCc1ccc([C@H](O)CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000806789408 1080010600 /nfs/dbraw/zinc/01/06/00/1080010600.db2.gz LUNWGOUJKLSOTF-DHIUTWEWSA-N 1 2 411.546 2.525 20 0 HFADLO CCCC[C@@H](COC)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806833994 1080048165 /nfs/dbraw/zinc/04/81/65/1080048165.db2.gz RNOVNGBWQKTWOK-ZWKOTPCHSA-N 1 2 412.575 2.528 20 0 HFADLO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2c(C)nc(C(C)C)[nH]c2=O)CC1 ZINC000747358895 1080051543 /nfs/dbraw/zinc/05/15/43/1080051543.db2.gz LAAIDASDBWRTPX-UHFFFAOYSA-N 1 2 411.550 2.682 20 0 HFADLO CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1nccs1 ZINC000806840580 1080052954 /nfs/dbraw/zinc/05/29/54/1080052954.db2.gz PBDXNRWFZQDSOS-HOTGVXAUSA-N 1 2 423.583 2.931 20 0 HFADLO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CSc3n[nH]c(=S)s3)cc2)C[C@@H](C)O1 ZINC000747360214 1080055607 /nfs/dbraw/zinc/05/56/07/1080055607.db2.gz QAJMOTMAJCIHBU-CHWSQXEVSA-N 1 2 424.617 2.845 20 0 HFADLO Cc1nc(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)sc1C ZINC000806890469 1080056072 /nfs/dbraw/zinc/05/60/72/1080056072.db2.gz GZCANDMKOUEUPD-MRXNPFEDSA-N 1 2 423.583 2.597 20 0 HFADLO COC(C)(C)C[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806866875 1080068971 /nfs/dbraw/zinc/06/89/71/1080068971.db2.gz DREDFIDSUVDKOV-IRXDYDNUSA-N 1 2 412.575 2.527 20 0 HFADLO CC(C)Oc1ccc([C@@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[NH+](C)C)cc1 ZINC000806875189 1080075693 /nfs/dbraw/zinc/07/56/93/1080075693.db2.gz IVQATIBUIUYHGE-GOSISDBHSA-N 1 2 413.584 2.589 20 0 HFADLO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000806881465 1080079472 /nfs/dbraw/zinc/07/94/72/1080079472.db2.gz NWSFBIOMMPLUTB-DNVCBOLYSA-N 1 2 424.423 2.841 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)N[C@@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000807081034 1080260971 /nfs/dbraw/zinc/26/09/71/1080260971.db2.gz NGAJYFIOELCCBK-IAGOWNOFSA-N 1 2 424.586 2.669 20 0 HFADLO CC[N@H+](CC(=O)N1CCC([C@H](O)c2nccn2C)CC1)Cc1ccccc1Cl ZINC000807113420 1080290963 /nfs/dbraw/zinc/29/09/63/1080290963.db2.gz DUMIYSDQKFFCBV-FQEVSTJZSA-N 1 2 404.942 2.868 20 0 HFADLO CC[N@@H+](CC(=O)N1CCC([C@H](O)c2nccn2C)CC1)Cc1ccccc1Cl ZINC000807113420 1080290970 /nfs/dbraw/zinc/29/09/70/1080290970.db2.gz DUMIYSDQKFFCBV-FQEVSTJZSA-N 1 2 404.942 2.868 20 0 HFADLO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000747372889 1080294762 /nfs/dbraw/zinc/29/47/62/1080294762.db2.gz RGHSNZCNRWGLOZ-UHFFFAOYSA-N 1 2 424.505 2.617 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000807280841 1080440184 /nfs/dbraw/zinc/44/01/84/1080440184.db2.gz NXQNZZOXKOEWJD-GFCCVEGCSA-N 1 2 420.185 2.636 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC000807284460 1080444992 /nfs/dbraw/zinc/44/49/92/1080444992.db2.gz QWRXXGOZKJKVIJ-LBPRGKRZSA-N 1 2 406.414 2.916 20 0 HFADLO COc1cc(NC(=O)C(C)(C)C)c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000747400722 1080745436 /nfs/dbraw/zinc/74/54/36/1080745436.db2.gz LPVHVETXUMMMOI-AWEZNQCLSA-N 1 2 402.495 2.951 20 0 HFADLO COc1ccc(N2C[C@@H](NC(=O)Cn3c(C)[nH+]c4cc(F)c(F)cc43)CC2=O)cc1 ZINC001130988111 1080782435 /nfs/dbraw/zinc/78/24/35/1080782435.db2.gz AUHBWLCDCIKGSB-ZDUSSCGKSA-N 1 2 414.412 2.553 20 0 HFADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001560100364 1126207621 /nfs/dbraw/zinc/20/76/21/1126207621.db2.gz JTUILVJOSNLMPY-QFBILLFUSA-N 1 2 405.424 2.903 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4cc(C)ccc4C)nn3)CC2)C1=O ZINC001164644996 719281267 /nfs/dbraw/zinc/28/12/67/719281267.db2.gz ZTJRUOAIWQVCLX-UHFFFAOYSA-N 1 2 423.561 2.520 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4cc(C)ccc4C)nn3)CC2)C1=O ZINC001164644996 719281268 /nfs/dbraw/zinc/28/12/68/719281268.db2.gz ZTJRUOAIWQVCLX-UHFFFAOYSA-N 1 2 423.561 2.520 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(Cl)cccc2n1 ZINC001164698702 719857243 /nfs/dbraw/zinc/85/72/43/719857243.db2.gz CVHZUCZGGIBGOC-VBKZILBWSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(C)cc2)nn1 ZINC001164706771 719866879 /nfs/dbraw/zinc/86/68/79/719866879.db2.gz QLHGIEQFTIHZQX-WMZHIEFXSA-N 1 2 410.518 2.685 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc(C)c2)nn1 ZINC001164702368 719868896 /nfs/dbraw/zinc/86/88/96/719868896.db2.gz IPNPJUHYQNPKIW-CVDCTZTESA-N 1 2 410.518 2.685 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccnc1Oc1ccccc1 ZINC001164701234 719874707 /nfs/dbraw/zinc/87/47/07/719874707.db2.gz GELSBQUGYGLVMU-VGSWGCGISA-N 1 2 412.490 2.502 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(Cl)c(C)n4)CC3)C2=O)cs1 ZINC001164823210 720362785 /nfs/dbraw/zinc/36/27/85/720362785.db2.gz CBTBSJYFQZRCGF-UHFFFAOYSA-N 1 2 420.970 2.517 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(Cl)c(C)n4)CC3)C2=O)cs1 ZINC001164823210 720362794 /nfs/dbraw/zinc/36/27/94/720362794.db2.gz CBTBSJYFQZRCGF-UHFFFAOYSA-N 1 2 420.970 2.517 20 0 HFADLO CCOc1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164824786 720365994 /nfs/dbraw/zinc/36/59/94/720365994.db2.gz LCMZVQZECVQHCO-UHFFFAOYSA-N 1 2 415.563 2.558 20 0 HFADLO CCOc1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164824786 720366002 /nfs/dbraw/zinc/36/60/02/720366002.db2.gz LCMZVQZECVQHCO-UHFFFAOYSA-N 1 2 415.563 2.558 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5ccccc5nn4)CC3)C2=O)cs1 ZINC001164819724 720371364 /nfs/dbraw/zinc/37/13/64/720371364.db2.gz HGTQMNFICXKIIQ-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5ccccc5nn4)CC3)C2=O)cs1 ZINC001164819724 720371375 /nfs/dbraw/zinc/37/13/75/720371375.db2.gz HGTQMNFICXKIIQ-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO Cc1cc2ccccc2nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164823375 720441183 /nfs/dbraw/zinc/44/11/83/720441183.db2.gz IOHWAUJOGLONHA-FQEVSTJZSA-N 1 2 421.545 2.729 20 0 HFADLO FC(F)(c1nccnc1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164771102 721275621 /nfs/dbraw/zinc/27/56/21/721275621.db2.gz ZJMHWZHRVABFMI-CYBMUJFWSA-N 1 2 406.824 2.982 20 0 HFADLO CCN1CC[C@@]2(CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2C)C1=O ZINC001164777936 721317329 /nfs/dbraw/zinc/31/73/29/721317329.db2.gz NHICXVFAFQQRQF-UUOWRZLLSA-N 1 2 405.546 2.730 20 0 HFADLO CCN1CC[C@@]2(CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2C)C1=O ZINC001164777936 721317333 /nfs/dbraw/zinc/31/73/33/721317333.db2.gz NHICXVFAFQQRQF-UUOWRZLLSA-N 1 2 405.546 2.730 20 0 HFADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc[nH]c3nc(=S)sc2-3)[C@@H]2CCCO[C@@H]12 ZINC001164800290 721573584 /nfs/dbraw/zinc/57/35/84/721573584.db2.gz DOQLUTIXDVLGBT-RBSFLKMASA-N 1 2 414.560 2.638 20 0 HFADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc[nH]c3nc(=S)sc2-3)[C@@H]2CCCO[C@@H]12 ZINC001164800290 721573589 /nfs/dbraw/zinc/57/35/89/721573589.db2.gz DOQLUTIXDVLGBT-RBSFLKMASA-N 1 2 414.560 2.638 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)OC(C)(C)C)ccn1)C2 ZINC001165010948 721697073 /nfs/dbraw/zinc/69/70/73/721697073.db2.gz XZHKWNFCIOBVKZ-UHFFFAOYSA-N 1 2 400.527 2.879 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)OC(C)(C)C)ccn1)C2 ZINC001165010948 721697081 /nfs/dbraw/zinc/69/70/81/721697081.db2.gz XZHKWNFCIOBVKZ-UHFFFAOYSA-N 1 2 400.527 2.879 20 0 HFADLO CCOC(=O)c1cc2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2[nH]1 ZINC001165008609 721708496 /nfs/dbraw/zinc/70/84/96/721708496.db2.gz IMMQOPQNMZADKG-UHFFFAOYSA-N 1 2 411.510 2.582 20 0 HFADLO CCOC(=O)c1cc2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2[nH]1 ZINC001165008609 721708498 /nfs/dbraw/zinc/70/84/98/721708498.db2.gz IMMQOPQNMZADKG-UHFFFAOYSA-N 1 2 411.510 2.582 20 0 HFADLO CCOC(=O)c1cc2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)[nH]c-2n1 ZINC001165008609 721708500 /nfs/dbraw/zinc/70/85/00/721708500.db2.gz IMMQOPQNMZADKG-UHFFFAOYSA-N 1 2 411.510 2.582 20 0 HFADLO CCOC(=O)c1cc2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)[nH]c-2n1 ZINC001165008609 721708502 /nfs/dbraw/zinc/70/85/02/721708502.db2.gz IMMQOPQNMZADKG-UHFFFAOYSA-N 1 2 411.510 2.582 20 0 HFADLO CC(C)n1cnc2c1nc(Cl)nc2N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009857 721709837 /nfs/dbraw/zinc/70/98/37/721709837.db2.gz WOOGTSSKXNFYLA-UHFFFAOYSA-N 1 2 417.949 2.903 20 0 HFADLO CC(C)n1cnc2c1nc(Cl)nc2N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009857 721709841 /nfs/dbraw/zinc/70/98/41/721709841.db2.gz WOOGTSSKXNFYLA-UHFFFAOYSA-N 1 2 417.949 2.903 20 0 HFADLO COc1ccc(-c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)cc1 ZINC001165010031 721712300 /nfs/dbraw/zinc/71/23/00/721712300.db2.gz XXQSKLPFXNFATH-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO COc1ccc(-c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)cc1 ZINC001165010031 721712303 /nfs/dbraw/zinc/71/23/03/721712303.db2.gz XXQSKLPFXNFATH-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO CSc1ccnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917161 721787365 /nfs/dbraw/zinc/78/73/65/721787365.db2.gz XHLTVVHOPILJRN-FQEVSTJZSA-N 1 2 420.966 2.960 20 0 HFADLO CSc1ccnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917161 721787367 /nfs/dbraw/zinc/78/73/67/721787367.db2.gz XHLTVVHOPILJRN-FQEVSTJZSA-N 1 2 420.966 2.960 20 0 HFADLO Clc1cc2cc[nH]c2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914922 721787966 /nfs/dbraw/zinc/78/79/66/721787966.db2.gz ICPHRUMWMXSKJY-NRFANRHFSA-N 1 2 413.909 2.671 20 0 HFADLO Clc1cc2cc[nH]c2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914922 721787971 /nfs/dbraw/zinc/78/79/71/721787971.db2.gz ICPHRUMWMXSKJY-NRFANRHFSA-N 1 2 413.909 2.671 20 0 HFADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(-c5ccncc5)cn4)CCO3)C2)c1 ZINC001164914641 721793391 /nfs/dbraw/zinc/79/33/91/721793391.db2.gz OSASGGUMHWRPRJ-XMMPIXPASA-N 1 2 417.513 2.646 20 0 HFADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc(-c5ccncc5)cn4)CCO3)C2)c1 ZINC001164914641 721793394 /nfs/dbraw/zinc/79/33/94/721793394.db2.gz OSASGGUMHWRPRJ-XMMPIXPASA-N 1 2 417.513 2.646 20 0 HFADLO CSc1nc2ncnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)c2s1 ZINC001164919053 721817619 /nfs/dbraw/zinc/81/76/19/721817619.db2.gz ZDDMQILHWWNQMR-UHFFFAOYSA-N 1 2 401.565 2.754 20 0 HFADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)CC1 ZINC001164918729 721817894 /nfs/dbraw/zinc/81/78/94/721817894.db2.gz SGHWXBAVTFITKE-UHFFFAOYSA-N 1 2 414.913 2.910 20 0 HFADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)CC1 ZINC001164918729 721817895 /nfs/dbraw/zinc/81/78/95/721817895.db2.gz SGHWXBAVTFITKE-UHFFFAOYSA-N 1 2 414.913 2.910 20 0 HFADLO COC(=O)c1cc2ccccc2c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164917276 721819955 /nfs/dbraw/zinc/81/99/55/721819955.db2.gz FXCDXLJENCMJDS-UHFFFAOYSA-N 1 2 405.502 2.967 20 0 HFADLO Cc1c[nH+]c(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc1NCC1CC1 ZINC001164942909 721968767 /nfs/dbraw/zinc/96/87/67/721968767.db2.gz DJVPNLUVOFDRKU-UHFFFAOYSA-N 1 2 420.561 2.578 20 0 HFADLO COc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)ncc2c1 ZINC001164945978 721974901 /nfs/dbraw/zinc/97/49/01/721974901.db2.gz HPTYGWRGDUSHJD-UHFFFAOYSA-N 1 2 417.513 2.609 20 0 HFADLO COc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)ncc2c1 ZINC001164945978 721974905 /nfs/dbraw/zinc/97/49/05/721974905.db2.gz HPTYGWRGDUSHJD-UHFFFAOYSA-N 1 2 417.513 2.609 20 0 HFADLO COC(=O)c1ccc2nc(Cl)c(N3CC[NH+](CCc4ccccn4)CC3)nc2c1 ZINC001165054253 722008915 /nfs/dbraw/zinc/00/89/15/722008915.db2.gz UTIBDMLKOPIOHT-UHFFFAOYSA-N 1 2 411.893 2.830 20 0 HFADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH+]1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000792999225 1078044854 /nfs/dbraw/zinc/04/48/54/1078044854.db2.gz MAVMALLVWYKQCI-UHFFFAOYSA-N 1 2 421.481 2.936 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NC[C@@H](O)c2ccc(Cl)cc2)[C@@H]1c1c[nH+]cn1C ZINC000793013622 1078048475 /nfs/dbraw/zinc/04/84/75/1078048475.db2.gz WUCLPCZOYBXOKU-YVWKXTFCSA-N 1 2 418.925 2.613 20 0 HFADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4c(Cl)n3)CC2)cc1 ZINC000772756323 1078051092 /nfs/dbraw/zinc/05/10/92/1078051092.db2.gz CMVCJWPCHFFTCA-UHFFFAOYSA-N 1 2 408.889 2.945 20 0 HFADLO O=C(c1cnc(Br)c(Cl)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000790546014 1078060235 /nfs/dbraw/zinc/06/02/35/1078060235.db2.gz YXVHPIWDQPBMIU-ZDUSSCGKSA-N 1 2 402.720 2.824 20 0 HFADLO O=C(NC[C@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1)OCc1ccccc1 ZINC000793063056 1078060281 /nfs/dbraw/zinc/06/02/81/1078060281.db2.gz LESKJSUYLNDJDZ-RTBURBONSA-N 1 2 411.506 2.546 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)N(CCO)Cc2cccnc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000793136091 1078088033 /nfs/dbraw/zinc/08/80/33/1078088033.db2.gz XSZDJFFOPCUMRL-ROUUACIJSA-N 1 2 424.879 2.963 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)N(CCO)Cc2cccnc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000793136091 1078088038 /nfs/dbraw/zinc/08/80/38/1078088038.db2.gz XSZDJFFOPCUMRL-ROUUACIJSA-N 1 2 424.879 2.963 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000793251325 1078111059 /nfs/dbraw/zinc/11/10/59/1078111059.db2.gz QDQDSERIPLQARG-INIZCTEOSA-N 1 2 406.280 2.573 20 0 HFADLO CCOC1(C)CC[NH+](CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)CC1 ZINC000793542808 1078207155 /nfs/dbraw/zinc/20/71/55/1078207155.db2.gz MTIRRZACTCGNHO-UHFFFAOYSA-N 1 2 403.523 2.595 20 0 HFADLO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000793600055 1078220463 /nfs/dbraw/zinc/22/04/63/1078220463.db2.gz TVYZVRAIBQUNDT-MRXNPFEDSA-N 1 2 400.426 2.751 20 0 HFADLO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000793600055 1078220467 /nfs/dbraw/zinc/22/04/67/1078220467.db2.gz TVYZVRAIBQUNDT-MRXNPFEDSA-N 1 2 400.426 2.751 20 0 HFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N[C@@H](C)COc1ccccc1 ZINC000793677554 1078251392 /nfs/dbraw/zinc/25/13/92/1078251392.db2.gz BXODETPWSQPTFF-IBGZPJMESA-N 1 2 424.545 2.730 20 0 HFADLO CC1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C1)C2=O ZINC000793724646 1078267012 /nfs/dbraw/zinc/26/70/12/1078267012.db2.gz UWXHBNCLBMYZEG-QNOZYLDQSA-N 1 2 420.554 2.776 20 0 HFADLO CC1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C1)C2=O ZINC000793724646 1078267015 /nfs/dbraw/zinc/26/70/15/1078267015.db2.gz UWXHBNCLBMYZEG-QNOZYLDQSA-N 1 2 420.554 2.776 20 0 HFADLO Cc1ccc(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c(N(C)C)[nH+]1 ZINC000793728664 1078273889 /nfs/dbraw/zinc/27/38/89/1078273889.db2.gz JKLBHOSQXVZJEF-QZTJIDSGSA-N 1 2 419.485 2.986 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)N[C@@](C)(C(C)(C)C)C3=O)CC[C@@H]21 ZINC000793704975 1078275892 /nfs/dbraw/zinc/27/58/92/1078275892.db2.gz KUWGACXVGAVZPK-LRAJWGHMSA-N 1 2 408.543 2.632 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)N[C@@](C)(C(C)(C)C)C3=O)CC[C@@H]21 ZINC000793704975 1078275899 /nfs/dbraw/zinc/27/58/99/1078275899.db2.gz KUWGACXVGAVZPK-LRAJWGHMSA-N 1 2 408.543 2.632 20 0 HFADLO COc1ccc(-c2nnc(SCC[NH+]3CCOCC3)n2C[C@@H]2CCCO2)cc1 ZINC000793730380 1078283409 /nfs/dbraw/zinc/28/34/09/1078283409.db2.gz JSJDZYYEKVXEOL-SFHVURJKSA-N 1 2 404.536 2.557 20 0 HFADLO C[C@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)c1cccc(OC(F)(F)F)c1 ZINC000793870330 1078329068 /nfs/dbraw/zinc/32/90/68/1078329068.db2.gz ZKKWABBVMZDOPH-AWEZNQCLSA-N 1 2 421.419 2.894 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)Nc2cc(C)nn2-c2cc[nH+]cc2)c(C)cc1F ZINC000794020066 1078362481 /nfs/dbraw/zinc/36/24/81/1078362481.db2.gz SNGPHFQLADFVFU-UHFFFAOYSA-N 1 2 404.423 2.611 20 0 HFADLO O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N(CCO)Cc1cccnc1Cl ZINC000794332696 1078416646 /nfs/dbraw/zinc/41/66/46/1078416646.db2.gz MDSHUYFOADVIIR-SFHVURJKSA-N 1 2 405.951 2.846 20 0 HFADLO COC(=O)c1cnc(NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1C(F)(F)F ZINC000804371595 1078437492 /nfs/dbraw/zinc/43/74/92/1078437492.db2.gz CUHMSEBDRFMMLX-INIZCTEOSA-N 1 2 405.442 2.507 20 0 HFADLO CCOc1ccccc1CCC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000804377548 1078454326 /nfs/dbraw/zinc/45/43/26/1078454326.db2.gz ZVLABSYJPMFFRG-UHFFFAOYSA-N 1 2 416.543 2.967 20 0 HFADLO O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cc(Br)cnc2Br)CC1 ZINC000804429059 1078474463 /nfs/dbraw/zinc/47/44/63/1078474463.db2.gz CBSWHPVHXLXEPH-WCQYABFASA-N 1 2 405.134 2.642 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804437919 1078483497 /nfs/dbraw/zinc/48/34/97/1078483497.db2.gz JEEZGPZGEQTGEC-HFJQGTKSSA-N 1 2 417.550 2.748 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804435316 1078478097 /nfs/dbraw/zinc/47/80/97/1078478097.db2.gz DKSZQCCNCHYCFG-NEWSRXKRSA-N 1 2 403.523 2.574 20 0 HFADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804437454 1078482237 /nfs/dbraw/zinc/48/22/37/1078482237.db2.gz YZLPTWGKXXDPPG-KBXCAEBGSA-N 1 2 420.916 2.968 20 0 HFADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804438265 1078483181 /nfs/dbraw/zinc/48/31/81/1078483181.db2.gz LZKMAVZEPPJKKJ-ZYHUDNBSSA-N 1 2 409.499 2.928 20 0 HFADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc(Cl)ncc2Br)CC1 ZINC001129808279 1078505717 /nfs/dbraw/zinc/50/57/17/1078505717.db2.gz NKIHCFAHJVNYJO-UHFFFAOYSA-N 1 2 403.752 2.643 20 0 HFADLO CN(C)C(=O)[C@H]1CCN(C(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001129825631 1078519247 /nfs/dbraw/zinc/51/92/47/1078519247.db2.gz WDRSXHQEHZQIPG-DOTOQJQBSA-N 1 2 408.340 2.523 20 0 HFADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1nn(-c2cc(Cl)ccc2F)c2c1CCC2 ZINC001129856927 1078536800 /nfs/dbraw/zinc/53/68/00/1078536800.db2.gz ABVBFWQGVGFSNP-UHFFFAOYSA-N 1 2 420.916 2.994 20 0 HFADLO CCNc1nc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000804496010 1078552085 /nfs/dbraw/zinc/55/20/85/1078552085.db2.gz UKORGUGWSRVMGU-KGLIPLIRSA-N 1 2 407.563 2.675 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CNc3ccccc3Cl)C2)CC1 ZINC000804761319 1078611014 /nfs/dbraw/zinc/61/10/14/1078611014.db2.gz BQWGRFOKZSPVGW-INIZCTEOSA-N 1 2 422.957 2.906 20 0 HFADLO CCN(CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 ZINC000804761199 1078611308 /nfs/dbraw/zinc/61/13/08/1078611308.db2.gz YJAWJCSTOGAESL-HXUWFJFHSA-N 1 2 416.566 2.667 20 0 HFADLO CCCC(O)(CCC)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804762453 1078613425 /nfs/dbraw/zinc/61/34/25/1078613425.db2.gz IKMTVLWGSCWLKO-GOSISDBHSA-N 1 2 411.587 2.861 20 0 HFADLO Cc1ccc(F)c(-n2nc(C(=O)N(C)C(C)(C)C[NH+]3CCOCC3)c3c2CCC3)c1 ZINC001129659264 1078620539 /nfs/dbraw/zinc/62/05/39/1078620539.db2.gz ZJWZZMFXGXOZLO-UHFFFAOYSA-N 1 2 414.525 2.991 20 0 HFADLO CCNc1nc(N2CCC(O)(c3c(F)cccc3F)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000804623959 1078674877 /nfs/dbraw/zinc/67/48/77/1078674877.db2.gz FQHAEAATNRTXHL-UHFFFAOYSA-N 1 2 406.481 2.702 20 0 HFADLO Cc1cc(C(F)(F)F)c(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 ZINC000804833945 1078676538 /nfs/dbraw/zinc/67/65/38/1078676538.db2.gz QASNQIKWALTMIE-CQSZACIVSA-N 1 2 415.460 2.935 20 0 HFADLO CC(C)COc1cn(-c2ccccc2)nc1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC001129728405 1078678099 /nfs/dbraw/zinc/67/80/99/1078678099.db2.gz ROIOGSLTPZCVIO-UHFFFAOYSA-N 1 2 400.523 2.748 20 0 HFADLO CCNc1nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000804631591 1078684697 /nfs/dbraw/zinc/68/46/97/1078684697.db2.gz XIFYMDWRGNRIBJ-UHFFFAOYSA-N 1 2 407.563 2.819 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCCCc3ccccc3)C2)CC1 ZINC000804859086 1078685442 /nfs/dbraw/zinc/68/54/42/1078685442.db2.gz BHUNOYUKYJQXDX-HXUWFJFHSA-N 1 2 416.566 2.956 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCCc3ccccc3F)C2)CC1 ZINC000804860520 1078685941 /nfs/dbraw/zinc/68/59/41/1078685941.db2.gz LVTZIKWBBYUJFS-SFHVURJKSA-N 1 2 420.529 2.705 20 0 HFADLO CCn1c(=O)c2ccc(C(=O)N(C)CCC[N@H+](C)Cc3ccco3)cc2[nH]c1=S ZINC000804868783 1078692301 /nfs/dbraw/zinc/69/23/01/1078692301.db2.gz DKDHNGVVZQQMFL-UHFFFAOYSA-N 1 2 414.531 2.892 20 0 HFADLO CCn1c(=O)c2ccc(C(=O)N(C)CCC[N@@H+](C)Cc3ccco3)cc2[nH]c1=S ZINC000804868783 1078692305 /nfs/dbraw/zinc/69/23/05/1078692305.db2.gz DKDHNGVVZQQMFL-UHFFFAOYSA-N 1 2 414.531 2.892 20 0 HFADLO C[C@H](Cc1ccco1)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804909878 1078731185 /nfs/dbraw/zinc/73/11/85/1078731185.db2.gz XHYRRVHCWBKDHZ-IAGOWNOFSA-N 1 2 406.527 2.547 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000804941920 1078766396 /nfs/dbraw/zinc/76/63/96/1078766396.db2.gz HBNQFPDNPAGEDH-ZIAGYGMSSA-N 1 2 421.369 2.517 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000804985511 1078822254 /nfs/dbraw/zinc/82/22/54/1078822254.db2.gz UYJCBWMCVQIGHB-VAMGGRTRSA-N 1 2 414.550 2.879 20 0 HFADLO Cc1csc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000805057784 1078870760 /nfs/dbraw/zinc/87/07/60/1078870760.db2.gz HPIVLTDEGKUGDK-HOTGVXAUSA-N 1 2 423.583 2.849 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(Br)cc1F ZINC000805102041 1078887341 /nfs/dbraw/zinc/88/73/41/1078887341.db2.gz KCDRZUDECXGZKA-IUODEOHRSA-N 1 2 400.292 2.593 20 0 HFADLO Cc1noc(C)c1[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805112623 1078897821 /nfs/dbraw/zinc/89/78/21/1078897821.db2.gz NMKAHPZFQLWNTN-RHSMWYFYSA-N 1 2 421.542 2.689 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C2 ZINC000805136716 1078933661 /nfs/dbraw/zinc/93/36/61/1078933661.db2.gz OMTKPVOQIFUGCY-JOCHJYFZSA-N 1 2 424.586 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)NCC[N@H+]1CCOCC1(C)C)C2 ZINC000805136716 1078933665 /nfs/dbraw/zinc/93/36/65/1078933665.db2.gz OMTKPVOQIFUGCY-JOCHJYFZSA-N 1 2 424.586 2.530 20 0 HFADLO CS[C@@H]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000805160410 1078952276 /nfs/dbraw/zinc/95/22/76/1078952276.db2.gz XYLQYQRJCBHAMF-YESZJQIVSA-N 1 2 412.600 2.607 20 0 HFADLO COCCC1(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCC1 ZINC000805203233 1078961414 /nfs/dbraw/zinc/96/14/14/1078961414.db2.gz XJEICMCWNHYDKP-SFHVURJKSA-N 1 2 424.586 2.530 20 0 HFADLO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 ZINC000805171210 1078958369 /nfs/dbraw/zinc/95/83/69/1078958369.db2.gz JPSOLVAYMDGYLW-PKOBYXMFSA-N 1 2 417.554 2.522 20 0 HFADLO Cc1cnc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC000805173033 1078958424 /nfs/dbraw/zinc/95/84/24/1078958424.db2.gz XISJBCPCKQXTNK-HZPDHXFCSA-N 1 2 423.583 2.849 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C2 ZINC000805185979 1078966547 /nfs/dbraw/zinc/96/65/47/1078966547.db2.gz VWSOZKVWPROOCB-QFIPXVFZSA-N 1 2 424.586 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)C2 ZINC000805185979 1078966549 /nfs/dbraw/zinc/96/65/49/1078966549.db2.gz VWSOZKVWPROOCB-QFIPXVFZSA-N 1 2 424.586 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCC3(C4CC4)CCC3)C2)CC1 ZINC000805225171 1078992611 /nfs/dbraw/zinc/99/26/11/1078992611.db2.gz CVTRZNHBEDDAOZ-GOSISDBHSA-N 1 2 406.571 2.903 20 0 HFADLO Cc1ccsc1CCNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805254217 1078999156 /nfs/dbraw/zinc/99/91/56/1078999156.db2.gz HIPXMELLBJXHHF-KRWDZBQOSA-N 1 2 422.595 2.936 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)N[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000805314159 1079033413 /nfs/dbraw/zinc/03/34/13/1079033413.db2.gz LMUJLFDPYCLPKJ-HRAATJIYSA-N 1 2 403.527 2.631 20 0 HFADLO O=S(=O)(/C=C\c1ccc(F)cc1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000747241582 1079059179 /nfs/dbraw/zinc/05/91/79/1079059179.db2.gz BJKRONONUFQXOS-SXGWCWSVSA-N 1 2 407.486 2.677 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000805470692 1079089645 /nfs/dbraw/zinc/08/96/45/1079089645.db2.gz SWECFKIAGQZHSP-IFMALSPDSA-N 1 2 414.477 2.637 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000805470692 1079089652 /nfs/dbraw/zinc/08/96/52/1079089652.db2.gz SWECFKIAGQZHSP-IFMALSPDSA-N 1 2 414.477 2.637 20 0 HFADLO CC(C)(C(=O)OCC(=O)c1ccc(I)cc1)[NH+]1CCCC1 ZINC000805612262 1079174624 /nfs/dbraw/zinc/17/46/24/1079174624.db2.gz KZQKSEQTGIPPCK-UHFFFAOYSA-N 1 2 401.244 2.892 20 0 HFADLO C[C@H]1CC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805785101 1079252703 /nfs/dbraw/zinc/25/27/03/1079252703.db2.gz DOKHTKMENTXYIL-MMPTUQATSA-N 1 2 416.831 2.625 20 0 HFADLO C[C@H]1CC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805785101 1079252707 /nfs/dbraw/zinc/25/27/07/1079252707.db2.gz DOKHTKMENTXYIL-MMPTUQATSA-N 1 2 416.831 2.625 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000805763780 1079265611 /nfs/dbraw/zinc/26/56/11/1079265611.db2.gz XFOVDTLAFKDHNR-QGZVFWFLSA-N 1 2 404.511 2.894 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000805763780 1079265614 /nfs/dbraw/zinc/26/56/14/1079265614.db2.gz XFOVDTLAFKDHNR-QGZVFWFLSA-N 1 2 404.511 2.894 20 0 HFADLO Cc1ccc(CCC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000805863043 1079309609 /nfs/dbraw/zinc/30/96/09/1079309609.db2.gz QRNALSKESSETRC-UHFFFAOYSA-N 1 2 410.514 2.619 20 0 HFADLO CC(=O)[C@H]1CC(C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)=NN1c1ccccc1 ZINC001130551126 1079487712 /nfs/dbraw/zinc/48/77/12/1079487712.db2.gz VSGWIEPXRGNPPY-JTHBVZDNSA-N 1 2 404.514 2.596 20 0 HFADLO CC(=O)[C@H]1CC(C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)=NN1c1ccccc1 ZINC001130551126 1079487719 /nfs/dbraw/zinc/48/77/19/1079487719.db2.gz VSGWIEPXRGNPPY-JTHBVZDNSA-N 1 2 404.514 2.596 20 0 HFADLO CC(C)[C@@H]1C[C@@H](CC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c2ccccc21 ZINC000787342003 1076785738 /nfs/dbraw/zinc/78/57/38/1076785738.db2.gz ZOJVKLGINCZFJM-UWJYYQICSA-N 1 2 406.592 2.929 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NCCCCn3cc[nH+]c3)[nH]n2)C1 ZINC000787351404 1076792385 /nfs/dbraw/zinc/79/23/85/1076792385.db2.gz HUGVFTMRGCOCIO-HNNXBMFYSA-N 1 2 402.499 2.541 20 0 HFADLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787357331 1076795754 /nfs/dbraw/zinc/79/57/54/1076795754.db2.gz MMVWAWAGDFLFIX-MRXNPFEDSA-N 1 2 411.930 2.954 20 0 HFADLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787357331 1076795758 /nfs/dbraw/zinc/79/57/58/1076795758.db2.gz MMVWAWAGDFLFIX-MRXNPFEDSA-N 1 2 411.930 2.954 20 0 HFADLO Cc1cc(C)n(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC000787388922 1076804881 /nfs/dbraw/zinc/80/48/81/1076804881.db2.gz GHNIAONVKHQIMJ-UHFFFAOYSA-N 1 2 406.328 2.653 20 0 HFADLO Cn1cc(C(C)(C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000787531236 1076850040 /nfs/dbraw/zinc/85/00/40/1076850040.db2.gz ACNBYTVJIALDHY-UHFFFAOYSA-N 1 2 420.355 2.851 20 0 HFADLO CC(=O)c1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n(C)c1 ZINC000787535986 1076851949 /nfs/dbraw/zinc/85/19/49/1076851949.db2.gz MLKKLHXWCRUVFS-UHFFFAOYSA-N 1 2 419.323 2.994 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4n[nH]nc4c3)cc2Br)CC1 ZINC000787675122 1076890132 /nfs/dbraw/zinc/89/01/32/1076890132.db2.gz PALWXZIBFSUNJA-UHFFFAOYSA-N 1 2 415.295 2.725 20 0 HFADLO CC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)N1CCCC1=O ZINC000787666907 1076904008 /nfs/dbraw/zinc/90/40/08/1076904008.db2.gz NYJPAKLHIBTOMG-INIZCTEOSA-N 1 2 423.355 2.540 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3cc(C(N)=O)cs3)cc2Br)CC1 ZINC000787666981 1076904313 /nfs/dbraw/zinc/90/43/13/1076904313.db2.gz APWQQNLZAQAYGC-UHFFFAOYSA-N 1 2 423.336 2.614 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC34CCOCC4)cc2Br)CC1 ZINC000787668440 1076904881 /nfs/dbraw/zinc/90/48/81/1076904881.db2.gz UTJQUMHGWVMSMZ-HNNXBMFYSA-N 1 2 408.340 2.956 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(N)=O)cc3)cc2Br)CC1 ZINC000787669766 1076905797 /nfs/dbraw/zinc/90/57/97/1076905797.db2.gz BRDGFAUNHTYEKM-UHFFFAOYSA-N 1 2 417.307 2.552 20 0 HFADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787704152 1076918874 /nfs/dbraw/zinc/91/88/74/1076918874.db2.gz FACJAVYFOISYNO-JXFKEZNVSA-N 1 2 411.930 2.971 20 0 HFADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787704152 1076918878 /nfs/dbraw/zinc/91/88/78/1076918878.db2.gz FACJAVYFOISYNO-JXFKEZNVSA-N 1 2 411.930 2.971 20 0 HFADLO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)O[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787728038 1076932685 /nfs/dbraw/zinc/93/26/85/1076932685.db2.gz FXSBZHBZJVAMQQ-PMACEKPBSA-N 1 2 424.488 2.792 20 0 HFADLO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000787732376 1076934075 /nfs/dbraw/zinc/93/40/75/1076934075.db2.gz WBXZPBBBDBFDFH-UHFFFAOYSA-N 1 2 417.959 2.724 20 0 HFADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000772707104 1076946471 /nfs/dbraw/zinc/94/64/71/1076946471.db2.gz GIRCVQDTCUZHTL-UHFFFAOYSA-N 1 2 420.863 2.770 20 0 HFADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 ZINC000772707104 1076946473 /nfs/dbraw/zinc/94/64/73/1076946473.db2.gz GIRCVQDTCUZHTL-UHFFFAOYSA-N 1 2 420.863 2.770 20 0 HFADLO O=C(CCCc1ccc(O)c(F)c1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000787842517 1076960765 /nfs/dbraw/zinc/96/07/65/1076960765.db2.gz FYGVEPDIKHPQMN-UHFFFAOYSA-N 1 2 420.506 2.803 20 0 HFADLO O=C(CCCc1ccc(O)c(F)c1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000787845647 1076962947 /nfs/dbraw/zinc/96/29/47/1076962947.db2.gz QIULLRDNCDWKDH-UHFFFAOYSA-N 1 2 420.506 2.803 20 0 HFADLO CCCN(C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C1CC1 ZINC000787883517 1076976159 /nfs/dbraw/zinc/97/61/59/1076976159.db2.gz JFYGAWJDPXHQTB-UHFFFAOYSA-N 1 2 423.355 2.540 20 0 HFADLO Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000787995751 1077022009 /nfs/dbraw/zinc/02/20/09/1077022009.db2.gz RKGUNZNHCPUIOO-QHCPKHFHSA-N 1 2 417.550 2.965 20 0 HFADLO Cc1cccc(OCCNC(=O)C[N@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000787995751 1077022015 /nfs/dbraw/zinc/02/20/15/1077022015.db2.gz RKGUNZNHCPUIOO-QHCPKHFHSA-N 1 2 417.550 2.965 20 0 HFADLO COc1cccc(CNC(=O)C[N@@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000787998908 1077023964 /nfs/dbraw/zinc/02/39/64/1077023964.db2.gz ZWJQAILYKHHJEW-QFIPXVFZSA-N 1 2 403.523 2.787 20 0 HFADLO COc1cccc(CNC(=O)C[N@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000787998908 1077023970 /nfs/dbraw/zinc/02/39/70/1077023970.db2.gz ZWJQAILYKHHJEW-QFIPXVFZSA-N 1 2 403.523 2.787 20 0 HFADLO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1N1CCOC1=O ZINC000746730532 1077069418 /nfs/dbraw/zinc/06/94/18/1077069418.db2.gz QNJCTZMZUUONTA-HXUWFJFHSA-N 1 2 424.501 2.974 20 0 HFADLO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1N1CCOC1=O ZINC000746730532 1077069423 /nfs/dbraw/zinc/06/94/23/1077069423.db2.gz QNJCTZMZUUONTA-HXUWFJFHSA-N 1 2 424.501 2.974 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000788153292 1077069714 /nfs/dbraw/zinc/06/97/14/1077069714.db2.gz FTSLJNBNLBAGLM-FQEVSTJZSA-N 1 2 415.453 2.707 20 0 HFADLO O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788240012 1077084347 /nfs/dbraw/zinc/08/43/47/1077084347.db2.gz DKDAPQOSOJISPU-MRXNPFEDSA-N 1 2 424.501 2.590 20 0 HFADLO O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788240012 1077084352 /nfs/dbraw/zinc/08/43/52/1077084352.db2.gz DKDAPQOSOJISPU-MRXNPFEDSA-N 1 2 424.501 2.590 20 0 HFADLO O=C(CN1C(=O)COc2ccccc21)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788240341 1077084887 /nfs/dbraw/zinc/08/48/87/1077084887.db2.gz DXYVMMYUWMAXND-INIZCTEOSA-N 1 2 408.502 2.857 20 0 HFADLO O=C(CN1C(=O)COc2ccccc21)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788240341 1077084893 /nfs/dbraw/zinc/08/48/93/1077084893.db2.gz DXYVMMYUWMAXND-INIZCTEOSA-N 1 2 408.502 2.857 20 0 HFADLO CN1C(=O)c2ccc(C(=O)N[C@H]3CCc4[nH+]c(C5CCCCC5)[nH]c4C3)cc2C1=O ZINC000788241721 1077085026 /nfs/dbraw/zinc/08/50/26/1077085026.db2.gz WEASFRRATIQFBX-HNNXBMFYSA-N 1 2 406.486 2.971 20 0 HFADLO CN1C(=O)c2ccc(C(=O)N[C@H]3CCc4[nH]c(C5CCCCC5)[nH+]c4C3)cc2C1=O ZINC000788241721 1077085031 /nfs/dbraw/zinc/08/50/31/1077085031.db2.gz WEASFRRATIQFBX-HNNXBMFYSA-N 1 2 406.486 2.971 20 0 HFADLO CC(=O)Nc1cccc(-n2cnn(CN3CC[C@@H](Oc4cc[nH+]cc4)C3)c2=S)c1 ZINC000788381415 1077136731 /nfs/dbraw/zinc/13/67/31/1077136731.db2.gz WCVKPVDMMAFRAR-LJQANCHMSA-N 1 2 410.503 2.867 20 0 HFADLO O=C1c2ccc(Br)cc2C(=O)N1CN1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788381524 1077136785 /nfs/dbraw/zinc/13/67/85/1077136785.db2.gz ZQQNXJHRVKTPLD-CQSZACIVSA-N 1 2 402.248 2.551 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@H]2CCSc3c(F)cccc32)c1C ZINC000788461615 1077167337 /nfs/dbraw/zinc/16/73/37/1077167337.db2.gz FMSDGCMCHNKXPR-HNNXBMFYSA-N 1 2 403.479 2.816 20 0 HFADLO O[C@H](c1ncc[nH]1)C1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000788471220 1077170262 /nfs/dbraw/zinc/17/02/62/1077170262.db2.gz JMWWVJXOBHPVSN-AWEZNQCLSA-N 1 2 408.256 2.761 20 0 HFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)NCCSC(F)(F)F ZINC000788525975 1077202088 /nfs/dbraw/zinc/20/20/88/1077202088.db2.gz HTKDREOYVHXSJX-UHFFFAOYSA-N 1 2 418.485 2.516 20 0 HFADLO COCC[S@](=O)Cc1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000788604751 1077221283 /nfs/dbraw/zinc/22/12/83/1077221283.db2.gz KPMDIKCINZEIEJ-GDJIYFAZSA-N 1 2 403.504 2.662 20 0 HFADLO CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000790987839 1077262159 /nfs/dbraw/zinc/26/21/59/1077262159.db2.gz IWGNWBITEVXUFH-DOTOQJQBSA-N 1 2 404.536 2.864 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1F ZINC000788703055 1077264432 /nfs/dbraw/zinc/26/44/32/1077264432.db2.gz OPSXUCFYANFTNI-UHFFFAOYSA-N 1 2 421.494 2.713 20 0 HFADLO CC[C@@H](Cn1cncn1)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC000788707535 1077266407 /nfs/dbraw/zinc/26/64/07/1077266407.db2.gz ZFIRMGNONCNSRY-INIZCTEOSA-N 1 2 401.515 2.621 20 0 HFADLO CS(=O)(=O)c1cc(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1F ZINC000791077511 1077291699 /nfs/dbraw/zinc/29/16/99/1077291699.db2.gz ACEFUQINFLHWII-UHFFFAOYSA-N 1 2 422.444 2.764 20 0 HFADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788811843 1077295527 /nfs/dbraw/zinc/29/55/27/1077295527.db2.gz FHHOENLYBMLVRS-GOSISDBHSA-N 1 2 415.534 2.596 20 0 HFADLO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)CCN1C(=O)OC(C)(C)C ZINC000788786609 1077303624 /nfs/dbraw/zinc/30/36/24/1077303624.db2.gz WOPRUCGUCPPWSK-YJNKXOJESA-N 1 2 409.531 2.910 20 0 HFADLO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000788833805 1077314431 /nfs/dbraw/zinc/31/44/31/1077314431.db2.gz FRTKSQNELLVXAB-HNNXBMFYSA-N 1 2 400.454 2.885 20 0 HFADLO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000788845762 1077318360 /nfs/dbraw/zinc/31/83/60/1077318360.db2.gz DMHMABMYHBROCG-BBRMVZONSA-N 1 2 404.312 2.776 20 0 HFADLO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000788845762 1077318367 /nfs/dbraw/zinc/31/83/67/1077318367.db2.gz DMHMABMYHBROCG-BBRMVZONSA-N 1 2 404.312 2.776 20 0 HFADLO C[N@@H+]1CCN(C(=O)NCC(F)(F)c2ccccc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000788848063 1077318732 /nfs/dbraw/zinc/31/87/32/1077318732.db2.gz ANHVQUIEGQTLIS-MRXNPFEDSA-N 1 2 412.481 2.629 20 0 HFADLO C[N@H+]1CCN(C(=O)NCC(F)(F)c2ccccc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000788848063 1077318740 /nfs/dbraw/zinc/31/87/40/1077318740.db2.gz ANHVQUIEGQTLIS-MRXNPFEDSA-N 1 2 412.481 2.629 20 0 HFADLO CC(C)[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H](O)c1ccccc1 ZINC000788850106 1077319495 /nfs/dbraw/zinc/31/94/95/1077319495.db2.gz XFBDNQPXFXFBTL-RJGXRXQPSA-N 1 2 411.546 2.945 20 0 HFADLO CC(C)[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H](O)c1ccccc1 ZINC000788850106 1077319497 /nfs/dbraw/zinc/31/94/97/1077319497.db2.gz XFBDNQPXFXFBTL-RJGXRXQPSA-N 1 2 411.546 2.945 20 0 HFADLO O=C(NCc1cccnc1-n1ccnc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788861523 1077322828 /nfs/dbraw/zinc/32/28/28/1077322828.db2.gz LRAAAEUOHLMPRT-UHFFFAOYSA-N 1 2 405.506 2.889 20 0 HFADLO COc1ccc(C(=O)NCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1OC ZINC000791263609 1077351875 /nfs/dbraw/zinc/35/18/75/1077351875.db2.gz JADKEGRYYSASEJ-UHFFFAOYSA-N 1 2 409.442 2.671 20 0 HFADLO O=C(CNC(=O)OCC(F)(F)F)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791272074 1077355524 /nfs/dbraw/zinc/35/55/24/1077355524.db2.gz ABVWKQHSTGDVJZ-LBPRGKRZSA-N 1 2 402.417 2.719 20 0 HFADLO O=C(CNC(=O)OCC(F)(F)F)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791272074 1077355529 /nfs/dbraw/zinc/35/55/29/1077355529.db2.gz ABVWKQHSTGDVJZ-LBPRGKRZSA-N 1 2 402.417 2.719 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000791293166 1077358909 /nfs/dbraw/zinc/35/89/09/1077358909.db2.gz VHFFWUCQHDOOQT-KSFYIVLOSA-N 1 2 410.474 2.725 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CNS(=O)(=O)/C=C/c1ccccc1 ZINC000791298132 1077361411 /nfs/dbraw/zinc/36/14/11/1077361411.db2.gz UPLNCPSHHMNIIN-FMIVXFBMSA-N 1 2 411.483 2.814 20 0 HFADLO CON(C)S(=O)(=O)c1cccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000791301627 1077362888 /nfs/dbraw/zinc/36/28/88/1077362888.db2.gz LJGVDEGABMRLIO-UHFFFAOYSA-N 1 2 415.471 2.720 20 0 HFADLO O=C(Nc1ccc2c(c1)oc1ccccc12)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000746788812 1077444761 /nfs/dbraw/zinc/44/47/61/1077444761.db2.gz HTWNYTWIWLLFHU-KRWDZBQOSA-N 1 2 407.470 2.848 20 0 HFADLO O=C(NC[C@H]1CCCC[N@@H+]1CCS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000791472755 1077445004 /nfs/dbraw/zinc/44/50/04/1077445004.db2.gz GNAXDXDLDLHUBF-OAQYLSRUSA-N 1 2 400.544 2.886 20 0 HFADLO O=C(NC[C@H]1CCCC[N@H+]1CCS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000791472755 1077445006 /nfs/dbraw/zinc/44/50/06/1077445006.db2.gz GNAXDXDLDLHUBF-OAQYLSRUSA-N 1 2 400.544 2.886 20 0 HFADLO CC[C@@H](C)CC(=O)OCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000791496365 1077461506 /nfs/dbraw/zinc/46/15/06/1077461506.db2.gz BEMSXZPWICOZBW-MRXNPFEDSA-N 1 2 406.523 2.636 20 0 HFADLO Nc1cc(COC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc[nH+]1 ZINC000791606672 1077503277 /nfs/dbraw/zinc/50/32/77/1077503277.db2.gz XTLZTBKFJCANTC-UHFFFAOYSA-N 1 2 415.446 2.890 20 0 HFADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)o1 ZINC000789314977 1077510955 /nfs/dbraw/zinc/51/09/55/1077510955.db2.gz HBFZCNHFGYXZGJ-UHFFFAOYSA-N 1 2 413.927 2.869 20 0 HFADLO COc1nn(C)cc1NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000789325270 1077520460 /nfs/dbraw/zinc/52/04/60/1077520460.db2.gz GSQDRTMYKKRBRZ-UHFFFAOYSA-N 1 2 413.400 2.677 20 0 HFADLO CC[C@@H](C)n1ncc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000791673455 1077523933 /nfs/dbraw/zinc/52/39/33/1077523933.db2.gz SMAMFAHTEKXXKS-MRXNPFEDSA-N 1 2 414.506 2.790 20 0 HFADLO CC/C(=C\C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)c1ccc(OC)cc1 ZINC000746799679 1077529413 /nfs/dbraw/zinc/52/94/13/1077529413.db2.gz JIZKQEIBNDBBLK-KNTRCKAVSA-N 1 2 407.514 2.932 20 0 HFADLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789364394 1077539490 /nfs/dbraw/zinc/53/94/90/1077539490.db2.gz IWDMWDXCPYATBZ-VGOFRKELSA-N 1 2 423.513 2.953 20 0 HFADLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789364394 1077539494 /nfs/dbraw/zinc/53/94/94/1077539494.db2.gz IWDMWDXCPYATBZ-VGOFRKELSA-N 1 2 423.513 2.953 20 0 HFADLO CCCOc1nc(C)ccc1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000791738948 1077545038 /nfs/dbraw/zinc/54/50/38/1077545038.db2.gz BTBJLMUGQRNNHN-UHFFFAOYSA-N 1 2 417.531 2.742 20 0 HFADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 ZINC000746810427 1077550785 /nfs/dbraw/zinc/55/07/85/1077550785.db2.gz JTECIXZBIWNQAR-OAHLLOKOSA-N 1 2 421.563 2.612 20 0 HFADLO C[C@]1(C2CCCC2)NC(=O)N(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O ZINC000789440224 1077572981 /nfs/dbraw/zinc/57/29/81/1077572981.db2.gz BJDXKVYNHYNERT-OAQYLSRUSA-N 1 2 406.477 2.935 20 0 HFADLO C[C@]1(C2CCCC2)NC(=O)N(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O ZINC000789440224 1077572987 /nfs/dbraw/zinc/57/29/87/1077572987.db2.gz BJDXKVYNHYNERT-OAQYLSRUSA-N 1 2 406.477 2.935 20 0 HFADLO O=C1NC(C2CC2)(C2CC2)C(=O)N1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789444359 1077576519 /nfs/dbraw/zinc/57/65/19/1077576519.db2.gz UDBMEEUDLRCQQE-UHFFFAOYSA-N 1 2 404.461 2.545 20 0 HFADLO O=C1NC(C2CC2)(C2CC2)C(=O)N1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789444359 1077576524 /nfs/dbraw/zinc/57/65/24/1077576524.db2.gz UDBMEEUDLRCQQE-UHFFFAOYSA-N 1 2 404.461 2.545 20 0 HFADLO CC(C)(C)OC(=O)NC1(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000746824419 1077599479 /nfs/dbraw/zinc/59/94/79/1077599479.db2.gz OTFCSNQROOTSOK-IBGZPJMESA-N 1 2 417.550 2.841 20 0 HFADLO CC(C)(C)OC(=O)NC1(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000746824419 1077599481 /nfs/dbraw/zinc/59/94/81/1077599481.db2.gz OTFCSNQROOTSOK-IBGZPJMESA-N 1 2 417.550 2.841 20 0 HFADLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789526568 1077622824 /nfs/dbraw/zinc/62/28/24/1077622824.db2.gz RSZAEQZJMDBJNX-UEXGIBASSA-N 1 2 409.530 2.994 20 0 HFADLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789526568 1077622826 /nfs/dbraw/zinc/62/28/26/1077622826.db2.gz RSZAEQZJMDBJNX-UEXGIBASSA-N 1 2 409.530 2.994 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Oc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000792059605 1077665556 /nfs/dbraw/zinc/66/55/56/1077665556.db2.gz BQNQEBKRHQRESP-UHFFFAOYSA-N 1 2 417.506 2.883 20 0 HFADLO Cn1cc([C@H]2CN(C(=O)C[C@H](O)c3ccc(OCc4ccccc4)cc3)CC[NH2+]2)cn1 ZINC001170111527 1077668189 /nfs/dbraw/zinc/66/81/89/1077668189.db2.gz GXUPDVMCRZHXCA-PKTZIBPZSA-N 1 2 420.513 2.596 20 0 HFADLO COc1cc(C(N)=[NH+]OCc2ccc(S(C)(=O)=O)cc2)ccc1OC(F)F ZINC000789589899 1077672267 /nfs/dbraw/zinc/67/22/67/1077672267.db2.gz SOEXMWCNDRXXAW-UHFFFAOYSA-N 1 2 400.403 2.747 20 0 HFADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789596119 1077701788 /nfs/dbraw/zinc/70/17/88/1077701788.db2.gz GCDOOVGDCCTHQS-OAQYLSRUSA-N 1 2 412.534 2.684 20 0 HFADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789596119 1077701794 /nfs/dbraw/zinc/70/17/94/1077701794.db2.gz GCDOOVGDCCTHQS-OAQYLSRUSA-N 1 2 412.534 2.684 20 0 HFADLO Cn1cc([C@H]2CN(C(=O)[C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)CC[NH2+]2)cn1 ZINC001170112194 1077702974 /nfs/dbraw/zinc/70/29/74/1077702974.db2.gz MBDDYRJWEYJIEY-RTWAWAEBSA-N 1 2 412.440 2.992 20 0 HFADLO C[C@H](CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)NC(=O)OC(C)(C)C ZINC000792116101 1077703217 /nfs/dbraw/zinc/70/32/17/1077703217.db2.gz WKFKMIYGPHECDS-WBVHZDCISA-N 1 2 401.511 2.916 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cc(F)ccc2Oc2ccccc2)[nH+]1 ZINC000789600797 1077704580 /nfs/dbraw/zinc/70/45/80/1077704580.db2.gz RAFPXXRGTIXPRS-UHFFFAOYSA-N 1 2 416.800 2.924 20 0 HFADLO COC(=O)[C@@H](NC1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(OC)c(O)c1 ZINC000792180024 1077736693 /nfs/dbraw/zinc/73/66/93/1077736693.db2.gz KMLWJSVSFZDRHD-QFIPXVFZSA-N 1 2 413.518 2.940 20 0 HFADLO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792210470 1077765863 /nfs/dbraw/zinc/76/58/63/1077765863.db2.gz WEUXWOJZXCYEKL-CYBMUJFWSA-N 1 2 401.463 2.660 20 0 HFADLO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000792210470 1077765868 /nfs/dbraw/zinc/76/58/68/1077765868.db2.gz WEUXWOJZXCYEKL-CYBMUJFWSA-N 1 2 401.463 2.660 20 0 HFADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789768592 1077770641 /nfs/dbraw/zinc/77/06/41/1077770641.db2.gz JNOLVNQWMNAYIC-OAQYLSRUSA-N 1 2 415.925 2.882 20 0 HFADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789768592 1077770645 /nfs/dbraw/zinc/77/06/45/1077770645.db2.gz JNOLVNQWMNAYIC-OAQYLSRUSA-N 1 2 415.925 2.882 20 0 HFADLO CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@H](N4CCCS4(=O)=O)C3)c(Cl)nc21 ZINC000789771340 1077771351 /nfs/dbraw/zinc/77/13/51/1077771351.db2.gz RUCVJMIZOLPIDX-MRXNPFEDSA-N 1 2 411.959 2.666 20 0 HFADLO CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](N4CCCS4(=O)=O)C3)c(Cl)nc21 ZINC000789771340 1077771354 /nfs/dbraw/zinc/77/13/54/1077771354.db2.gz RUCVJMIZOLPIDX-MRXNPFEDSA-N 1 2 411.959 2.666 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC[C@H]2CC(=O)c2ccco2)CC1 ZINC000792218909 1077771447 /nfs/dbraw/zinc/77/14/47/1077771447.db2.gz AOUIFENMBLMNAC-KRWDZBQOSA-N 1 2 419.522 2.786 20 0 HFADLO CCn1nc(C)c(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1Cl ZINC000789792546 1077797884 /nfs/dbraw/zinc/79/78/84/1077797884.db2.gz ULZHQUIAYKSKIZ-UHFFFAOYSA-N 1 2 414.934 2.964 20 0 HFADLO CCn1nc(C)c(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1Cl ZINC000789792546 1077797887 /nfs/dbraw/zinc/79/78/87/1077797887.db2.gz ULZHQUIAYKSKIZ-UHFFFAOYSA-N 1 2 414.934 2.964 20 0 HFADLO Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789796708 1077803290 /nfs/dbraw/zinc/80/32/90/1077803290.db2.gz KQWWQDIDZUGYEO-UHFFFAOYSA-N 1 2 401.898 2.921 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2cccc(SC(F)F)c2)C[C@H](C)O1 ZINC000789797833 1077803708 /nfs/dbraw/zinc/80/37/08/1077803708.db2.gz TWNBLASGILPDES-BETUJISGSA-N 1 2 401.479 2.507 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2cccc(SC(F)F)c2)C[C@H](C)O1 ZINC000789797833 1077803719 /nfs/dbraw/zinc/80/37/19/1077803719.db2.gz TWNBLASGILPDES-BETUJISGSA-N 1 2 401.479 2.507 20 0 HFADLO CCc1ccc([C@@H]2C[N@H+](CCCN3C(=O)CS/C3=C\C(=O)OC)CCO2)cc1 ZINC000792360196 1077814663 /nfs/dbraw/zinc/81/46/63/1077814663.db2.gz DPPVGSOBUXWHBR-YNGKYYQNSA-N 1 2 404.532 2.602 20 0 HFADLO CCc1ccc([C@@H]2C[N@@H+](CCCN3C(=O)CS/C3=C\C(=O)OC)CCO2)cc1 ZINC000792360196 1077814667 /nfs/dbraw/zinc/81/46/67/1077814667.db2.gz DPPVGSOBUXWHBR-YNGKYYQNSA-N 1 2 404.532 2.602 20 0 HFADLO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(=O)n3[nH]ccc3n1)CC2 ZINC000792333690 1077822715 /nfs/dbraw/zinc/82/27/15/1077822715.db2.gz MSDWZJNVHVPVDA-UHFFFAOYSA-N 1 2 401.511 2.636 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2=O)c(C)c1 ZINC000789895302 1077853377 /nfs/dbraw/zinc/85/33/77/1077853377.db2.gz UCNZUGMKBVYBPA-SFTDATJTSA-N 1 2 406.530 2.893 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2=O)c(C)c1 ZINC000789895302 1077853382 /nfs/dbraw/zinc/85/33/82/1077853382.db2.gz UCNZUGMKBVYBPA-SFTDATJTSA-N 1 2 406.530 2.893 20 0 HFADLO Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)C2=O)c(C)c1 ZINC000789895301 1077853416 /nfs/dbraw/zinc/85/34/16/1077853416.db2.gz UCNZUGMKBVYBPA-RTWAWAEBSA-N 1 2 406.530 2.893 20 0 HFADLO Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)C2=O)c(C)c1 ZINC000789895301 1077853425 /nfs/dbraw/zinc/85/34/25/1077853425.db2.gz UCNZUGMKBVYBPA-RTWAWAEBSA-N 1 2 406.530 2.893 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000792491704 1077865301 /nfs/dbraw/zinc/86/53/01/1077865301.db2.gz MLLDKGFCJYGUFL-APWZRJJASA-N 1 2 423.529 2.613 20 0 HFADLO COc1ccccc1S(=O)(=O)CCC[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC001170216584 1077909560 /nfs/dbraw/zinc/90/95/60/1077909560.db2.gz NFAPPDAZCCZICN-JOCHJYFZSA-N 1 2 419.543 2.513 20 0 HFADLO COc1ccccc1S(=O)(=O)CCC[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1 ZINC001170216584 1077909562 /nfs/dbraw/zinc/90/95/62/1077909562.db2.gz NFAPPDAZCCZICN-JOCHJYFZSA-N 1 2 419.543 2.513 20 0 HFADLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccn(CC(F)F)n3)[nH+]c12 ZINC000790018969 1077915846 /nfs/dbraw/zinc/91/58/46/1077915846.db2.gz CQSYEHGDAWUTGE-UHFFFAOYSA-N 1 2 412.238 2.839 20 0 HFADLO Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001170268147 1077922849 /nfs/dbraw/zinc/92/28/49/1077922849.db2.gz JDICWABWJOTDHN-UHFFFAOYSA-N 1 2 403.508 2.652 20 0 HFADLO COc1ccc(CCC(=O)N2CCC[N@@H+](C3CN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000790079994 1077925243 /nfs/dbraw/zinc/92/52/43/1077925243.db2.gz JEGYCJQMXQDFKD-UHFFFAOYSA-N 1 2 417.550 2.781 20 0 HFADLO COc1ccc(CCC(=O)N2CCC[N@H+](C3CN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000790079994 1077925246 /nfs/dbraw/zinc/92/52/46/1077925246.db2.gz JEGYCJQMXQDFKD-UHFFFAOYSA-N 1 2 417.550 2.781 20 0 HFADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 ZINC000790054530 1077933182 /nfs/dbraw/zinc/93/31/82/1077933182.db2.gz STYPCSDLWRWJSH-QHCPKHFHSA-N 1 2 420.557 2.639 20 0 HFADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 ZINC000790054530 1077933183 /nfs/dbraw/zinc/93/31/83/1077933183.db2.gz STYPCSDLWRWJSH-QHCPKHFHSA-N 1 2 420.557 2.639 20 0 HFADLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC001170365548 1077950953 /nfs/dbraw/zinc/95/09/53/1077950953.db2.gz OPGGJGXMWQICDW-HHHXNRCGSA-N 1 2 407.454 2.904 20 0 HFADLO COC(=O)Nc1cc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc(C(F)(F)F)c1 ZINC000790132224 1077952700 /nfs/dbraw/zinc/95/27/00/1077952700.db2.gz MJDJZTYKKWPBKF-LBPRGKRZSA-N 1 2 403.401 2.676 20 0 HFADLO COC(=O)C1CCN(c2cc(NCC3CCN(C(=O)C(C)(C)C)CC3)[nH+]cn2)CC1 ZINC001170346602 1077954604 /nfs/dbraw/zinc/95/46/04/1077954604.db2.gz OPAKGLYFELWOOV-UHFFFAOYSA-N 1 2 417.554 2.563 20 0 HFADLO COC(=O)C1CCN(c2cc(NCC3CCN(C(=O)C(C)(C)C)CC3)nc[nH+]2)CC1 ZINC001170346602 1077954605 /nfs/dbraw/zinc/95/46/05/1077954605.db2.gz OPAKGLYFELWOOV-UHFFFAOYSA-N 1 2 417.554 2.563 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C ZINC000790126626 1077959561 /nfs/dbraw/zinc/95/95/61/1077959561.db2.gz IVZPZMSCCNDKIH-MKXGPGLRSA-N 1 2 409.571 2.734 20 0 HFADLO Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000790156393 1077960764 /nfs/dbraw/zinc/96/07/64/1077960764.db2.gz CVDRBZULKOIBGQ-QNGOZBTKSA-N 1 2 417.517 2.919 20 0 HFADLO O=C(CCSCC1CCC2(CC1)OCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000792661313 1077962150 /nfs/dbraw/zinc/96/21/50/1077962150.db2.gz PADRAENLQRNATN-UHFFFAOYSA-N 1 2 405.564 2.787 20 0 HFADLO C[C@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)c1ccc(F)cc1 ZINC000792910529 1078021624 /nfs/dbraw/zinc/02/16/24/1078021624.db2.gz DXOHEZPDOQOFQB-PNPHSEOMSA-N 1 2 416.324 2.635 20 0 HFADLO C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)c1ccc(F)cc1 ZINC000792910529 1078021630 /nfs/dbraw/zinc/02/16/30/1078021630.db2.gz DXOHEZPDOQOFQB-PNPHSEOMSA-N 1 2 416.324 2.635 20 0 HFADLO CCOC(=O)C1CC[NH+](Cn2ncc3c2ccc(Br)c3C(=O)OC)CC1 ZINC000790440506 1078032405 /nfs/dbraw/zinc/03/24/05/1078032405.db2.gz WTXPKWGLBJCENF-UHFFFAOYSA-N 1 2 424.295 2.818 20 0 HFADLO CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@H](N3CCCC3=O)C1)C2=O ZINC000790450575 1078035532 /nfs/dbraw/zinc/03/55/32/1078035532.db2.gz AFHDNNXIGPFVLX-JQHMZKTJSA-N 1 2 404.555 2.558 20 0 HFADLO CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@H](N3CCCC3=O)C1)C2=O ZINC000790450575 1078035538 /nfs/dbraw/zinc/03/55/38/1078035538.db2.gz AFHDNNXIGPFVLX-JQHMZKTJSA-N 1 2 404.555 2.558 20 0 HFADLO COc1ccccc1-c1csc(C2CC[NH+](CN3CC(=O)N(C)C3=O)CC2)n1 ZINC000790488201 1078042615 /nfs/dbraw/zinc/04/26/15/1078042615.db2.gz MODKGAQPUNYNIN-UHFFFAOYSA-N 1 2 400.504 2.850 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCCc3cccs3)CC2)C1 ZINC000806311166 1079564007 /nfs/dbraw/zinc/56/40/07/1079564007.db2.gz OESFZKVOZHDROO-MRXNPFEDSA-N 1 2 408.568 2.627 20 0 HFADLO CCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000806361133 1079647864 /nfs/dbraw/zinc/64/78/64/1079647864.db2.gz DVTOOVABOJDMFL-SFHVURJKSA-N 1 2 403.527 2.882 20 0 HFADLO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000806361899 1079648921 /nfs/dbraw/zinc/64/89/21/1079648921.db2.gz KNJOHOXLXXSHQC-GOSISDBHSA-N 1 2 403.527 2.881 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000806419042 1079662585 /nfs/dbraw/zinc/66/25/85/1079662585.db2.gz KQXSMAZERKEVBF-PWSUYJOCSA-N 1 2 403.708 2.824 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)N[C@@H]3CCCc4occc43)CC2)C1 ZINC000806427663 1079673256 /nfs/dbraw/zinc/67/32/56/1079673256.db2.gz MUEBTINCJJCUOW-SJLPKXTDSA-N 1 2 418.538 2.994 20 0 HFADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1c[nH]c2cc(OCc3ccccc3)ccc21 ZINC001158015511 1079687392 /nfs/dbraw/zinc/68/73/92/1079687392.db2.gz SDQLVALSRVLPHE-OAQYLSRUSA-N 1 2 407.470 2.724 20 0 HFADLO COc1cc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1F ZINC000806444152 1079714227 /nfs/dbraw/zinc/71/42/27/1079714227.db2.gz MFXJZHYBDHVFSI-INIZCTEOSA-N 1 2 422.501 2.993 20 0 HFADLO O=C(c1cnc(Nc2ccccc2)nc1C(F)(F)F)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001130633667 1079719309 /nfs/dbraw/zinc/71/93/09/1079719309.db2.gz WXNPXAMBYFFWEU-HNNXBMFYSA-N 1 2 421.423 2.786 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC[C@@H]3Cc4ccccc43)C2)CC1 ZINC000806507717 1079758922 /nfs/dbraw/zinc/75/89/22/1079758922.db2.gz SWPASSOJGIQYTO-OALUTQOASA-N 1 2 414.550 2.663 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000806482941 1079769009 /nfs/dbraw/zinc/76/90/09/1079769009.db2.gz VAXSIGWKKFAQBO-KKSFZXQISA-N 1 2 421.549 2.810 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000806482941 1079769014 /nfs/dbraw/zinc/76/90/14/1079769014.db2.gz VAXSIGWKKFAQBO-KKSFZXQISA-N 1 2 421.549 2.810 20 0 HFADLO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000806486537 1079773055 /nfs/dbraw/zinc/77/30/55/1079773055.db2.gz XGGBRHCBFOQSEM-MOPGFXCFSA-N 1 2 418.925 2.555 20 0 HFADLO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000806486537 1079773061 /nfs/dbraw/zinc/77/30/61/1079773061.db2.gz XGGBRHCBFOQSEM-MOPGFXCFSA-N 1 2 418.925 2.555 20 0 HFADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000806537582 1079775777 /nfs/dbraw/zinc/77/57/77/1079775777.db2.gz MJHOTVHCNHKHJZ-INIZCTEOSA-N 1 2 403.458 2.774 20 0 HFADLO Cc1ccsc1CNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806542711 1079781429 /nfs/dbraw/zinc/78/14/29/1079781429.db2.gz XEHHRIPNNXEVOT-INIZCTEOSA-N 1 2 408.568 2.893 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NCc1ccncc1OC[C@H]1CCOC1 ZINC000806550950 1079815773 /nfs/dbraw/zinc/81/57/73/1079815773.db2.gz JFUZBDPAUQVFJH-SFHVURJKSA-N 1 2 407.474 2.682 20 0 HFADLO C[C@H]1C[N@H+](CCNC(=O)NCC2(c3ccc(Br)s3)CCC2)CCO1 ZINC000806665930 1079928596 /nfs/dbraw/zinc/92/85/96/1079928596.db2.gz FQAQNPWSEIOJPG-ZDUSSCGKSA-N 1 2 416.385 2.952 20 0 HFADLO C[C@H]1C[N@@H+](CCNC(=O)NCC2(c3ccc(Br)s3)CCC2)CCO1 ZINC000806665930 1079928599 /nfs/dbraw/zinc/92/85/99/1079928599.db2.gz FQAQNPWSEIOJPG-ZDUSSCGKSA-N 1 2 416.385 2.952 20 0 HFADLO Cc1noc(C)c1[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806807642 1080022776 /nfs/dbraw/zinc/02/27/76/1080022776.db2.gz QEIGXVXTZXQKNN-YOEHRIQHSA-N 1 2 421.542 2.689 20 0 HFADLO CC(C)c1cc(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)on1 ZINC000806810633 1080023885 /nfs/dbraw/zinc/02/38/85/1080023885.db2.gz YHKGOEKMTFBDQS-INIZCTEOSA-N 1 2 421.542 2.635 20 0 HFADLO CC[C@H](NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1nccs1 ZINC000806839468 1080052076 /nfs/dbraw/zinc/05/20/76/1080052076.db2.gz DRWAOQQDRFJCTA-HOTGVXAUSA-N 1 2 423.583 2.931 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCC(C3CC3)C3CC3)C2)CC1 ZINC000806880619 1080078541 /nfs/dbraw/zinc/07/85/41/1080078541.db2.gz XCCFMDBVTWCRCA-SFHVURJKSA-N 1 2 406.571 2.759 20 0 HFADLO Cc1cnc([C@@H](C)NC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC000806923531 1080091548 /nfs/dbraw/zinc/09/15/48/1080091548.db2.gz MHMFFBGQDOGDJY-CVEARBPZSA-N 1 2 423.583 2.849 20 0 HFADLO COC1CCC(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000806923186 1080092001 /nfs/dbraw/zinc/09/20/01/1080092001.db2.gz DGTFKAQIVWSHGP-JLAWEPINSA-N 1 2 424.586 2.528 20 0 HFADLO CC[C@H](NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)C1CCOCC1 ZINC000806896470 1080102561 /nfs/dbraw/zinc/10/25/61/1080102561.db2.gz ULLQWVUPUUFYON-OALUTQOASA-N 1 2 424.586 2.528 20 0 HFADLO C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C[C@@H](C)C1 ZINC000806901619 1080107838 /nfs/dbraw/zinc/10/78/38/1080107838.db2.gz LIZYHLISWNGIQT-DZFIZOCASA-N 1 2 400.567 2.779 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000805272413 1080138925 /nfs/dbraw/zinc/13/89/25/1080138925.db2.gz NAXSZMUCHCGNOB-DLBZAZTESA-N 1 2 424.586 2.669 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NC3CCC(F)(F)CC3)CC2)C1 ZINC000807038101 1080228880 /nfs/dbraw/zinc/22/88/80/1080228880.db2.gz JNXJTCCXRYUGAO-MRXNPFEDSA-N 1 2 416.513 2.901 20 0 HFADLO Cc1ccncc1[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807065192 1080247464 /nfs/dbraw/zinc/24/74/64/1080247464.db2.gz HJKUCSILYQZACU-MSOLQXFVSA-N 1 2 417.554 2.788 20 0 HFADLO C[N@@H+]1CCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000807088447 1080266158 /nfs/dbraw/zinc/26/61/58/1080266158.db2.gz BKOONVXXJVXQOC-DHIUTWEWSA-N 1 2 421.541 2.786 20 0 HFADLO C[N@H+]1CCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000807088447 1080266167 /nfs/dbraw/zinc/26/61/67/1080266167.db2.gz BKOONVXXJVXQOC-DHIUTWEWSA-N 1 2 421.541 2.786 20 0 HFADLO C[C@@H]1CCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000807089460 1080268101 /nfs/dbraw/zinc/26/81/01/1080268101.db2.gz FVSWRVCRZHRLQY-JRGCBEDISA-N 1 2 410.518 2.577 20 0 HFADLO CSCCCCCNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807146261 1080302168 /nfs/dbraw/zinc/30/21/68/1080302168.db2.gz XYVDEVICWMAPDK-KRWDZBQOSA-N 1 2 414.616 2.856 20 0 HFADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CCCC34OCCO4)[nH+]c12 ZINC000807244852 1080400783 /nfs/dbraw/zinc/40/07/83/1080400783.db2.gz UHKRWIRGVXHURY-OAHLLOKOSA-N 1 2 408.296 2.607 20 0 HFADLO C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1nccs1 ZINC000805278957 1080401983 /nfs/dbraw/zinc/40/19/83/1080401983.db2.gz LKJNUURMFPNHPU-HOTGVXAUSA-N 1 2 423.583 2.583 20 0 HFADLO COCC1(CNC(=O)N(C)CCCn2cc[nH+]c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807270165 1080422630 /nfs/dbraw/zinc/42/26/30/1080422630.db2.gz PLOUATQKERURRE-UHFFFAOYSA-N 1 2 423.558 2.578 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccccc1Cc1ccccc1 ZINC000807281031 1080439406 /nfs/dbraw/zinc/43/94/06/1080439406.db2.gz QDLCLZIFCGVYMH-FXAWDEMLSA-N 1 2 407.470 2.599 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000807281733 1080440838 /nfs/dbraw/zinc/44/08/38/1080440838.db2.gz ZRTOVCKUVILSIT-INIZCTEOSA-N 1 2 400.822 2.695 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N2CCCc3ccccc32)cc1 ZINC000807283796 1080443165 /nfs/dbraw/zinc/44/31/65/1080443165.db2.gz KRDGUYWPTDOXSJ-FQEVSTJZSA-N 1 2 404.470 2.939 20 0 HFADLO CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000747388196 1080464872 /nfs/dbraw/zinc/46/48/72/1080464872.db2.gz FFBIYEYIMVOPDN-IAGOWNOFSA-N 1 2 415.431 2.802 20 0 HFADLO CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000747388196 1080464875 /nfs/dbraw/zinc/46/48/75/1080464875.db2.gz FFBIYEYIMVOPDN-IAGOWNOFSA-N 1 2 415.431 2.802 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(F)cn3)cc2Br)CC1 ZINC000807362911 1080524242 /nfs/dbraw/zinc/52/42/42/1080524242.db2.gz SGCCBRPDYRWRTA-UHFFFAOYSA-N 1 2 407.287 2.916 20 0 HFADLO C[C@@H](O)c1cc(NC(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)ccc1F ZINC000807398481 1080594911 /nfs/dbraw/zinc/59/49/11/1080594911.db2.gz VCPAMXAFZGRHBG-LSDHHAIUSA-N 1 2 415.465 2.849 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCC3(C(F)(F)F)CC3)CC2)C1 ZINC000807490862 1080679814 /nfs/dbraw/zinc/67/98/14/1080679814.db2.gz PHRPIEHLRILNDG-AWEZNQCLSA-N 1 2 420.476 2.666 20 0 HFADLO CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000747399634 1080702508 /nfs/dbraw/zinc/70/25/08/1080702508.db2.gz BXWIVKCGUCAXNS-HNNXBMFYSA-N 1 2 414.535 2.672 20 0 HFADLO COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000747401166 1080776708 /nfs/dbraw/zinc/77/67/08/1080776708.db2.gz SBMHXFJVWNOVBF-YJBOKZPZSA-N 1 2 402.495 2.910 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000807559980 1080814390 /nfs/dbraw/zinc/81/43/90/1080814390.db2.gz KFZXYRVCZAQYGE-SJLPKXTDSA-N 1 2 421.328 2.875 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000807559980 1080814404 /nfs/dbraw/zinc/81/44/04/1080814404.db2.gz KFZXYRVCZAQYGE-SJLPKXTDSA-N 1 2 421.328 2.875 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000807560069 1080815004 /nfs/dbraw/zinc/81/50/04/1080815004.db2.gz LGWUBCZGELAVAI-UHFFFAOYSA-N 1 2 403.914 2.575 20 0 HFADLO Cc1cc2cc(CNC(=O)N3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)ccc2[nH]1 ZINC000807561080 1080816278 /nfs/dbraw/zinc/81/62/78/1080816278.db2.gz VITQPJVKQGRORO-SFHVURJKSA-N 1 2 415.538 2.827 20 0 HFADLO Cc1cc2cc(CNC(=O)N3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)ccc2[nH]1 ZINC000807561080 1080816282 /nfs/dbraw/zinc/81/62/82/1080816282.db2.gz VITQPJVKQGRORO-SFHVURJKSA-N 1 2 415.538 2.827 20 0 HFADLO CCOC(=O)c1c(C)onc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001171948815 1126148608 /nfs/dbraw/zinc/14/86/08/1126148608.db2.gz DKHOJVUDAILTMS-IBGZPJMESA-N 1 2 423.307 2.932 20 0 HFADLO NC(=O)c1cc(Cl)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672992 719496392 /nfs/dbraw/zinc/49/63/92/719496392.db2.gz LXAXWDASQNMXHU-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO NC(=O)c1cc(Cl)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672992 719496399 /nfs/dbraw/zinc/49/63/99/719496399.db2.gz LXAXWDASQNMXHU-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(-n4ccnc4)nn2)CC3)cc1 ZINC001164673958 719515511 /nfs/dbraw/zinc/51/55/11/719515511.db2.gz VOZKJGYUWSTASO-UHFFFAOYSA-N 1 2 408.481 2.673 20 0 HFADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(-n4ccnc4)nn2)CC3)cc1 ZINC001164673958 719515516 /nfs/dbraw/zinc/51/55/16/719515516.db2.gz VOZKJGYUWSTASO-UHFFFAOYSA-N 1 2 408.481 2.673 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(OC)cc2cc1C ZINC001164705755 719839046 /nfs/dbraw/zinc/83/90/46/719839046.db2.gz VEUAGZLORZCKJI-WZONZLPQSA-N 1 2 413.518 2.785 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)c(Cl)cc1Cl ZINC001164707609 719864319 /nfs/dbraw/zinc/86/43/19/719864319.db2.gz UGUMYBXWVGSLKX-SCLBCKFNSA-N 1 2 402.322 2.930 20 0 HFADLO CCc1ccc(-c2ccc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nn2)cc1 ZINC001164708529 719872156 /nfs/dbraw/zinc/87/21/56/719872156.db2.gz ZRVOEWZKEHCMEO-HYBUGGRVSA-N 1 2 424.545 2.939 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(CC(C)C)nc(Cl)c1C ZINC001164708465 719876531 /nfs/dbraw/zinc/87/65/31/719876531.db2.gz ZKGOCNJOSGFJPS-IERDGZPVSA-N 1 2 424.973 2.870 20 0 HFADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)cc1N ZINC001164726461 720314392 /nfs/dbraw/zinc/31/43/92/720314392.db2.gz ZLEVNTSNZQKIRX-OAHLLOKOSA-N 1 2 412.872 2.879 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(Cl)cc4F)CC3)C2=O)cs1 ZINC001164826512 720360433 /nfs/dbraw/zinc/36/04/33/720360433.db2.gz WNOQKGXIJKEFEJ-UHFFFAOYSA-N 1 2 423.945 2.952 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(Cl)cc4F)CC3)C2=O)cs1 ZINC001164826512 720360438 /nfs/dbraw/zinc/36/04/38/720360438.db2.gz WNOQKGXIJKEFEJ-UHFFFAOYSA-N 1 2 423.945 2.952 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nnc4C)CC3)C2=O)cs1 ZINC001164826709 720363824 /nfs/dbraw/zinc/36/38/24/720363824.db2.gz YJFUQXNQQGTYDT-UHFFFAOYSA-N 1 2 420.970 2.517 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nnc4C)CC3)C2=O)cs1 ZINC001164826709 720363836 /nfs/dbraw/zinc/36/38/36/720363836.db2.gz YJFUQXNQQGTYDT-UHFFFAOYSA-N 1 2 420.970 2.517 20 0 HFADLO Cc1cc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cc(Cl)n1 ZINC001164856826 720895290 /nfs/dbraw/zinc/89/52/90/720895290.db2.gz GYUBEJZTHOBRPY-UHFFFAOYSA-N 1 2 420.851 2.800 20 0 HFADLO FC(F)(COc1cncc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758993 720979824 /nfs/dbraw/zinc/97/98/24/720979824.db2.gz YFGOUWNNSCJMEE-AWEZNQCLSA-N 1 2 413.856 2.857 20 0 HFADLO O=C(N1CCCC1)C12CC(C1)CN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164875801 721237192 /nfs/dbraw/zinc/23/71/92/721237192.db2.gz XGOUWMQTPCZVQR-UHFFFAOYSA-N 1 2 403.530 2.626 20 0 HFADLO O=C(N1CCCC1)C12CC(C1)CN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164875801 721237198 /nfs/dbraw/zinc/23/71/98/721237198.db2.gz XGOUWMQTPCZVQR-UHFFFAOYSA-N 1 2 403.530 2.626 20 0 HFADLO CS(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164907367 721720794 /nfs/dbraw/zinc/72/07/94/721720794.db2.gz RDCCWUFZNDNXBF-IBGZPJMESA-N 1 2 422.501 2.618 20 0 HFADLO CS(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164907367 721720802 /nfs/dbraw/zinc/72/08/02/721720802.db2.gz RDCCWUFZNDNXBF-IBGZPJMESA-N 1 2 422.501 2.618 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(C(N)=S)c3ccsc31)C2 ZINC001165010996 721721885 /nfs/dbraw/zinc/72/18/85/721721885.db2.gz LWQNSCZWZVGZSS-UHFFFAOYSA-N 1 2 415.592 2.773 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(C(N)=S)c3ccsc31)C2 ZINC001165010996 721721893 /nfs/dbraw/zinc/72/18/93/721721893.db2.gz LWQNSCZWZVGZSS-UHFFFAOYSA-N 1 2 415.592 2.773 20 0 HFADLO CSc1cc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911109 721779262 /nfs/dbraw/zinc/77/92/62/721779262.db2.gz DYLHYEUNJGSMDE-HXUWFJFHSA-N 1 2 420.966 2.960 20 0 HFADLO CSc1cc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911109 721779265 /nfs/dbraw/zinc/77/92/65/721779265.db2.gz DYLHYEUNJGSMDE-HXUWFJFHSA-N 1 2 420.966 2.960 20 0 HFADLO Cc1csc2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164917135 721791796 /nfs/dbraw/zinc/79/17/96/721791796.db2.gz XCDUOGVXFANZDI-NRFANRHFSA-N 1 2 411.531 2.503 20 0 HFADLO Cc1csc2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164917135 721791797 /nfs/dbraw/zinc/79/17/97/721791797.db2.gz XCDUOGVXFANZDI-NRFANRHFSA-N 1 2 411.531 2.503 20 0 HFADLO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)c2c1 ZINC001164916855 721815671 /nfs/dbraw/zinc/81/56/71/721815671.db2.gz IWLOFFDMGAFWQY-UHFFFAOYSA-N 1 2 420.517 2.753 20 0 HFADLO COc1cc2c[nH+]c(N3C[C@H]4OCCN(Cc5c(C)noc5C)[C@@H]4C3)cc2cc1OC ZINC001164942862 721958322 /nfs/dbraw/zinc/95/83/22/721958322.db2.gz GEPITSGGXIHMTI-DENIHFKCSA-N 1 2 424.501 2.946 20 0 HFADLO COc1cc2c[nH+]c(N3C[C@@H]4OCCN(Cc5c(C)noc5C)[C@H]4C3)cc2cc1OC ZINC001164942867 721958386 /nfs/dbraw/zinc/95/83/86/721958386.db2.gz GEPITSGGXIHMTI-UGKGYDQZSA-N 1 2 424.501 2.946 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC001164944472 721970074 /nfs/dbraw/zinc/97/00/74/721970074.db2.gz JCXMNHJICHSELA-UHFFFAOYSA-N 1 2 411.937 2.978 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC001164944472 721970078 /nfs/dbraw/zinc/97/00/78/721970078.db2.gz JCXMNHJICHSELA-UHFFFAOYSA-N 1 2 411.937 2.978 20 0 HFADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055353 722016260 /nfs/dbraw/zinc/01/62/60/722016260.db2.gz FZMMTAZAVOIQIU-UHFFFAOYSA-N 1 2 404.852 2.983 20 0 HFADLO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056190 722018383 /nfs/dbraw/zinc/01/83/83/722018383.db2.gz ZIZOBABJXCUSHF-SFHVURJKSA-N 1 2 415.847 2.695 20 0 HFADLO CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164987634 722184683 /nfs/dbraw/zinc/18/46/83/722184683.db2.gz KZLIIJDPDPQNHA-RBUKOAKNSA-N 1 2 415.563 2.983 20 0 HFADLO CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@@H]2CC1 ZINC001164987635 722184713 /nfs/dbraw/zinc/18/47/13/722184713.db2.gz KZLIIJDPDPQNHA-RTBURBONSA-N 1 2 415.563 2.983 20 0 HFADLO COc1cccc(OC)c1S(=O)(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000772756361 1078051118 /nfs/dbraw/zinc/05/11/18/1078051118.db2.gz AWGQCBWZAPVDOD-UHFFFAOYSA-N 1 2 419.547 2.717 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC000793063587 1078060020 /nfs/dbraw/zinc/06/00/20/1078060020.db2.gz RAAHDYCUZXCJGS-INIZCTEOSA-N 1 2 403.523 2.825 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)Nc1cccc(F)n1 ZINC000793057475 1078068234 /nfs/dbraw/zinc/06/82/34/1078068234.db2.gz LIJOQNBCKDTFQH-YJBOKZPZSA-N 1 2 413.497 2.622 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)Nc1cccc(F)n1 ZINC000793057475 1078068239 /nfs/dbraw/zinc/06/82/39/1078068239.db2.gz LIJOQNBCKDTFQH-YJBOKZPZSA-N 1 2 413.497 2.622 20 0 HFADLO O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000747101195 1078074205 /nfs/dbraw/zinc/07/42/05/1078074205.db2.gz HPMONUNGDKQPIE-QGZVFWFLSA-N 1 2 424.423 2.982 20 0 HFADLO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CC[NH2+][C@H](c4cn[nH]c4)C3)ccc21 ZINC001170141424 1078076792 /nfs/dbraw/zinc/07/67/92/1078076792.db2.gz UJGRTDAZIZXZCK-SFHVURJKSA-N 1 2 411.506 2.884 20 0 HFADLO C[N@@H+]1CCN(C(=O)NCc2ccc(C3CC3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000790627514 1078082322 /nfs/dbraw/zinc/08/23/22/1078082322.db2.gz QLEANOVRYHDLCY-LJQANCHMSA-N 1 2 402.539 2.914 20 0 HFADLO C[N@H+]1CCN(C(=O)NCc2ccc(C3CC3)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000790627514 1078082329 /nfs/dbraw/zinc/08/23/29/1078082329.db2.gz QLEANOVRYHDLCY-LJQANCHMSA-N 1 2 402.539 2.914 20 0 HFADLO Cc1nc(SC(F)F)sc1CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000793157758 1078092516 /nfs/dbraw/zinc/09/25/16/1078092516.db2.gz JARKGDXPIOAFRO-MRXNPFEDSA-N 1 2 423.576 2.633 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)OCc2nc(C(C)C)ns2)[C@@H]1c1c[nH+]cn1C ZINC000793219292 1078099877 /nfs/dbraw/zinc/09/98/77/1078099877.db2.gz XAHCUENYCDUXNP-CXAGYDPISA-N 1 2 405.524 2.828 20 0 HFADLO O=C(Cc1ccc(Cl)c(F)c1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000790719011 1078107719 /nfs/dbraw/zinc/10/77/19/1078107719.db2.gz XVUDVRUJEZSNAM-UHFFFAOYSA-N 1 2 410.898 2.971 20 0 HFADLO CN(C[C@@H]1C[C@H](F)CN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)OC(C)(C)C ZINC000790779804 1078132236 /nfs/dbraw/zinc/13/22/36/1078132236.db2.gz AGEPBNLWBHPSRE-ULQDDVLXSA-N 1 2 421.517 2.649 20 0 HFADLO C[C@H](NS(=O)(=O)C1=Cc2ccccc2OCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000772834587 1078177733 /nfs/dbraw/zinc/17/77/33/1078177733.db2.gz JPWRDZAOUDNUGG-KRWDZBQOSA-N 1 2 406.548 2.763 20 0 HFADLO C[N@H+](Cn1ncc2cc(OCc3ccccc3)ccc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793564735 1078211144 /nfs/dbraw/zinc/21/11/44/1078211144.db2.gz BNGCGXJCANUNLN-LJQANCHMSA-N 1 2 414.531 2.539 20 0 HFADLO C[N@@H+](Cn1ncc2cc(OCc3ccccc3)ccc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793564735 1078211150 /nfs/dbraw/zinc/21/11/50/1078211150.db2.gz BNGCGXJCANUNLN-LJQANCHMSA-N 1 2 414.531 2.539 20 0 HFADLO C[C@@]12CC[N@H+](CN3C(=O)N[C@](C)(CCc4ccc5c(c4)OCO5)C3=O)C[C@@H]1C2(F)F ZINC000793531211 1078212395 /nfs/dbraw/zinc/21/23/95/1078212395.db2.gz PTQRSKCXZZHREK-PWIZWCRZSA-N 1 2 421.444 2.593 20 0 HFADLO C[C@@]12CC[N@@H+](CN3C(=O)N[C@](C)(CCc4ccc5c(c4)OCO5)C3=O)C[C@@H]1C2(F)F ZINC000793531211 1078212399 /nfs/dbraw/zinc/21/23/99/1078212399.db2.gz PTQRSKCXZZHREK-PWIZWCRZSA-N 1 2 421.444 2.593 20 0 HFADLO O=S(=O)(C1CC[NH+](Cc2cnn(Cc3ccccc3)c2Cl)CC1)N1CCCC1 ZINC000793596444 1078219289 /nfs/dbraw/zinc/21/92/89/1078219289.db2.gz YYVOCCYEEKADSB-UHFFFAOYSA-N 1 2 422.982 2.975 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000793608588 1078227219 /nfs/dbraw/zinc/22/72/19/1078227219.db2.gz IHLDZOUKJQNQCM-SFTDATJTSA-N 1 2 404.470 2.525 20 0 HFADLO COC(=O)c1ccccc1CC1CC[NH+](CN2C(=O)c3cccc(N)c3C2=O)CC1 ZINC000793609385 1078227250 /nfs/dbraw/zinc/22/72/50/1078227250.db2.gz ZVPWYKKNCMQONB-UHFFFAOYSA-N 1 2 407.470 2.564 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N[C@H](C)C[C@H](O)c2ccccc2)[C@@H]1c1c[nH+]cn1C ZINC000793645095 1078240053 /nfs/dbraw/zinc/24/00/53/1078240053.db2.gz MXSDLQQXBWEGRU-UYKQMDHISA-N 1 2 412.534 2.738 20 0 HFADLO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000793716168 1078262955 /nfs/dbraw/zinc/26/29/55/1078262955.db2.gz XSUOOSRJUIILMC-CDHQVMDDSA-N 1 2 415.921 2.785 20 0 HFADLO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000793716168 1078262957 /nfs/dbraw/zinc/26/29/57/1078262957.db2.gz XSUOOSRJUIILMC-CDHQVMDDSA-N 1 2 415.921 2.785 20 0 HFADLO CC1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C1)C2=O ZINC000793724648 1078267032 /nfs/dbraw/zinc/26/70/32/1078267032.db2.gz UWXHBNCLBMYZEG-QOQLHOOGSA-N 1 2 420.554 2.776 20 0 HFADLO CC1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C1)C2=O ZINC000793724648 1078267035 /nfs/dbraw/zinc/26/70/35/1078267035.db2.gz UWXHBNCLBMYZEG-QOQLHOOGSA-N 1 2 420.554 2.776 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)N[C@@](C)(C4CCCC4)C3=O)CC[C@@H]21 ZINC000793704916 1078275988 /nfs/dbraw/zinc/27/59/88/1078275988.db2.gz KCAJCZPHYPCETA-ZWWNWMABSA-N 1 2 420.554 2.776 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)N[C@@](C)(C4CCCC4)C3=O)CC[C@@H]21 ZINC000793704916 1078275993 /nfs/dbraw/zinc/27/59/93/1078275993.db2.gz KCAJCZPHYPCETA-ZWWNWMABSA-N 1 2 420.554 2.776 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000793780366 1078309775 /nfs/dbraw/zinc/30/97/75/1078309775.db2.gz CHENBINYMFFSDZ-NHCUHLMSSA-N 1 2 422.460 2.664 20 0 HFADLO CC[C@H]1CC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc(I)cc2)C1=O ZINC000793822298 1078317380 /nfs/dbraw/zinc/31/73/80/1078317380.db2.gz WIQYDCDMBWGGMH-XJKSGUPXSA-N 1 2 413.259 2.500 20 0 HFADLO CC[C@H]1CC[N@H+]1CN1C(=O)N[C@](C)(c2ccc(I)cc2)C1=O ZINC000793822298 1078317385 /nfs/dbraw/zinc/31/73/85/1078317385.db2.gz WIQYDCDMBWGGMH-XJKSGUPXSA-N 1 2 413.259 2.500 20 0 HFADLO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCn2cc(CNC(=O)C3CCC3)nc2C1 ZINC001170438832 1078324897 /nfs/dbraw/zinc/32/48/97/1078324897.db2.gz VXKHRYUPHCAHLX-LJQANCHMSA-N 1 2 410.518 2.865 20 0 HFADLO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCn2cc(CNC(=O)C3CCC3)nc2C1 ZINC001170438832 1078324903 /nfs/dbraw/zinc/32/49/03/1078324903.db2.gz VXKHRYUPHCAHLX-LJQANCHMSA-N 1 2 410.518 2.865 20 0 HFADLO C[C@@H]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000793938196 1078352090 /nfs/dbraw/zinc/35/20/90/1078352090.db2.gz RGVALHKKBDOFDC-MSOLQXFVSA-N 1 2 400.567 2.780 20 0 HFADLO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)[C@H]2C1 ZINC000794246457 1078391608 /nfs/dbraw/zinc/39/16/08/1078391608.db2.gz KORCFDHDWZQFOM-HWWDLCQESA-N 1 2 400.454 2.741 20 0 HFADLO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804435984 1078479030 /nfs/dbraw/zinc/47/90/30/1078479030.db2.gz LBMKZBDDUIHLPM-AITUJVMLSA-N 1 2 419.522 2.572 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC000804440192 1078504467 /nfs/dbraw/zinc/50/44/67/1078504467.db2.gz VEAHNKMTRWYPMC-BZDHPDOMSA-N 1 2 409.571 2.782 20 0 HFADLO FC(F)[C@H]1CN(c2cc(N3CCO[C@@H](C(F)F)C3)c3ccncc3[nH+]2)CCO1 ZINC000804694014 1078534253 /nfs/dbraw/zinc/53/42/53/1078534253.db2.gz LDCZCNFPJKTQPX-HUUCEWRRSA-N 1 2 400.376 2.570 20 0 HFADLO Cc1cc(CNC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)cc(C)[nH+]1 ZINC001129858386 1078538605 /nfs/dbraw/zinc/53/86/05/1078538605.db2.gz LTBJGYSFICLMSE-UHFFFAOYSA-N 1 2 415.284 2.934 20 0 HFADLO CCNc1nc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000804496009 1078551657 /nfs/dbraw/zinc/55/16/57/1078551657.db2.gz UKORGUGWSRVMGU-KBPBESRZSA-N 1 2 407.563 2.675 20 0 HFADLO CC[C@H](C)CC[C@H](O)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804762559 1078613903 /nfs/dbraw/zinc/61/39/03/1078613903.db2.gz JRSHKILEOAVSSU-OTWHNJEPSA-N 1 2 411.587 2.717 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCOc4ccccc43)C2)CC1 ZINC000804759977 1078610763 /nfs/dbraw/zinc/61/07/63/1078610763.db2.gz DHUXKJOSNWNKDP-HKUYNNGSSA-N 1 2 415.534 2.706 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCCc3ccccn3)C2)CC1 ZINC000804762154 1078614562 /nfs/dbraw/zinc/61/45/62/1078614562.db2.gz FXIIPCLULMTEEO-IBGZPJMESA-N 1 2 402.539 2.558 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C=C\c3ccnc(Cl)c3)C2)CC1 ZINC000804760949 1078612663 /nfs/dbraw/zinc/61/26/63/1078612663.db2.gz RZAVHCGWUQTSRJ-CHYADLBTSA-N 1 2 420.941 2.902 20 0 HFADLO Cc1cc(Br)c(F)c(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC001129669051 1078628513 /nfs/dbraw/zinc/62/85/13/1078628513.db2.gz DKSTYIOEBXEHSW-UHFFFAOYSA-N 1 2 415.303 2.508 20 0 HFADLO COC[C@]1(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000804789367 1078645258 /nfs/dbraw/zinc/64/52/58/1078645258.db2.gz HVQJBBUQUIVPDJ-JOCHJYFZSA-N 1 2 416.522 2.718 20 0 HFADLO COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NCc2c[nH+]c3c(C)cccn23)cc1 ZINC000804609465 1078654265 /nfs/dbraw/zinc/65/42/65/1078654265.db2.gz BDRSNLNDLBDJRP-MRXNPFEDSA-N 1 2 410.474 2.563 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)Nc2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)C1 ZINC000804817097 1078659208 /nfs/dbraw/zinc/65/92/08/1078659208.db2.gz OIUPXTGWPZCNNF-HNNXBMFYSA-N 1 2 424.567 2.917 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)Nc2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)C1 ZINC000804817097 1078659210 /nfs/dbraw/zinc/65/92/10/1078659210.db2.gz OIUPXTGWPZCNNF-HNNXBMFYSA-N 1 2 424.567 2.917 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3cncc(Br)c3)C2)CC1 ZINC000804834192 1078675360 /nfs/dbraw/zinc/67/53/60/1078675360.db2.gz ARZPKHPLZWRRIK-OAHLLOKOSA-N 1 2 411.344 2.976 20 0 HFADLO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000804900052 1078755812 /nfs/dbraw/zinc/75/58/12/1078755812.db2.gz XHDPJYIOOYCAIK-GOSISDBHSA-N 1 2 410.396 2.568 20 0 HFADLO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000804900053 1078755865 /nfs/dbraw/zinc/75/58/65/1078755865.db2.gz XHDPJYIOOYCAIK-SFHVURJKSA-N 1 2 410.396 2.568 20 0 HFADLO O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000804905700 1078760101 /nfs/dbraw/zinc/76/01/01/1078760101.db2.gz CGVSLLMPGJUWSO-IBGZPJMESA-N 1 2 417.554 2.995 20 0 HFADLO Cn1ncc(CNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000805068184 1078878395 /nfs/dbraw/zinc/87/83/95/1078878395.db2.gz JGIALBCATAGHSR-UHFFFAOYSA-N 1 2 401.474 2.726 20 0 HFADLO Cc1noc(C)c1[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805112630 1078897833 /nfs/dbraw/zinc/89/78/33/1078897833.db2.gz NMKAHPZFQLWNTN-YOEHRIQHSA-N 1 2 421.542 2.689 20 0 HFADLO CC(C)[C@@H]1C[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC000805253947 1078999453 /nfs/dbraw/zinc/99/94/53/1078999453.db2.gz RPWLBMAMKWAPJR-QYZOEREBSA-N 1 2 424.586 2.527 20 0 HFADLO CCOCCC1(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000805225502 1079000401 /nfs/dbraw/zinc/00/04/01/1079000401.db2.gz IQXDKSFXYCVJGB-GOSISDBHSA-N 1 2 424.586 2.530 20 0 HFADLO CCc1ccc([C@@H](NC(=O)COC(=O)[C@@H]2C[N@H+](CC)CCO2)c2cccs2)cc1 ZINC000805479105 1079093067 /nfs/dbraw/zinc/09/30/67/1079093067.db2.gz JRWJDODKXZKDDU-GHTZIAJQSA-N 1 2 416.543 2.780 20 0 HFADLO CCc1ccc([C@@H](NC(=O)COC(=O)[C@@H]2C[N@@H+](CC)CCO2)c2cccs2)cc1 ZINC000805479105 1079093072 /nfs/dbraw/zinc/09/30/72/1079093072.db2.gz JRWJDODKXZKDDU-GHTZIAJQSA-N 1 2 416.543 2.780 20 0 HFADLO O=C(NC[C@H]1CCC=CO1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000805497550 1079106203 /nfs/dbraw/zinc/10/62/03/1079106203.db2.gz MGEXPBMNBDFUIJ-JOCHJYFZSA-N 1 2 419.525 2.729 20 0 HFADLO C[C@@H](CNC(=O)c1cc(F)ccc1I)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260631 1079125893 /nfs/dbraw/zinc/12/58/93/1079125893.db2.gz YMJDXGKNEWOEAB-SDDRHHMPSA-N 1 2 420.266 2.658 20 0 HFADLO C[C@@H](CNC(=O)c1cc(F)ccc1I)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260631 1079125899 /nfs/dbraw/zinc/12/58/99/1079125899.db2.gz YMJDXGKNEWOEAB-SDDRHHMPSA-N 1 2 420.266 2.658 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC001130272151 1079167163 /nfs/dbraw/zinc/16/71/63/1079167163.db2.gz HBFJKMAUSBHMAE-MRXNPFEDSA-N 1 2 412.440 2.788 20 0 HFADLO CC[C@@H](C)C[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C(=O)OC ZINC001130360732 1079230318 /nfs/dbraw/zinc/23/03/18/1079230318.db2.gz YBOBKZBXSFGUNQ-QAPCUYQASA-N 1 2 400.479 2.620 20 0 HFADLO C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc3[nH]ccc32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805789091 1079255967 /nfs/dbraw/zinc/25/59/67/1079255967.db2.gz YKQAPDMWOIRRFM-FLTUCWPJSA-N 1 2 413.440 2.685 20 0 HFADLO C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc3[nH]ccc32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805789091 1079255973 /nfs/dbraw/zinc/25/59/73/1079255973.db2.gz YKQAPDMWOIRRFM-FLTUCWPJSA-N 1 2 413.440 2.685 20 0 HFADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCCn1cc(Br)cn1)c1ccccc1 ZINC000805840608 1079278176 /nfs/dbraw/zinc/27/81/76/1079278176.db2.gz UACSNHPLWJYFKM-MRXNPFEDSA-N 1 2 417.311 2.662 20 0 HFADLO Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805802094 1079280940 /nfs/dbraw/zinc/28/09/40/1079280940.db2.gz SRAHUJQIXKMCRX-ROUUACIJSA-N 1 2 405.539 2.786 20 0 HFADLO Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805802094 1079280944 /nfs/dbraw/zinc/28/09/44/1079280944.db2.gz SRAHUJQIXKMCRX-ROUUACIJSA-N 1 2 405.539 2.786 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCC3(C(F)(F)F)CC3)C2)CC1 ZINC000805812059 1079286996 /nfs/dbraw/zinc/28/69/96/1079286996.db2.gz YMLGOVWSWZRQHG-CQSZACIVSA-N 1 2 420.476 2.666 20 0 HFADLO CCn1cc(CNC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC000805823349 1079293273 /nfs/dbraw/zinc/29/32/73/1079293273.db2.gz DBWUXAQKPMHPBU-UHFFFAOYSA-N 1 2 411.428 2.829 20 0 HFADLO COC[C@]1(CNC(=O)NCc2ccn3cc[nH+]c3c2)CCCN1C(=O)OC(C)(C)C ZINC000805857974 1079305971 /nfs/dbraw/zinc/30/59/71/1079305971.db2.gz LKPHAADYEVCMMU-OAQYLSRUSA-N 1 2 417.510 2.550 20 0 HFADLO C[C@H](CNC(=O)c1cnn(-c2ccccc2)c1Br)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472039 1079398527 /nfs/dbraw/zinc/39/85/27/1079398527.db2.gz LAGDWNOEGJMHSJ-KFWWJZLASA-N 1 2 421.339 2.862 20 0 HFADLO C[C@H](CNC(=O)c1cnn(-c2ccccc2)c1Br)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472039 1079398530 /nfs/dbraw/zinc/39/85/30/1079398530.db2.gz LAGDWNOEGJMHSJ-KFWWJZLASA-N 1 2 421.339 2.862 20 0 HFADLO C[C@@H]1CC[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@@H]1c1cccc(F)c1 ZINC000746676805 1076757678 /nfs/dbraw/zinc/75/76/78/1076757678.db2.gz APEAJSHLIOQOLF-QKCJOQNMSA-N 1 2 416.497 2.741 20 0 HFADLO C[C@@H]1CC[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@@H]1c1cccc(F)c1 ZINC000746676805 1076757686 /nfs/dbraw/zinc/75/76/86/1076757686.db2.gz APEAJSHLIOQOLF-QKCJOQNMSA-N 1 2 416.497 2.741 20 0 HFADLO C[C@@H]1C[C@H]1c1ccc(CNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)o1 ZINC000787322851 1076764691 /nfs/dbraw/zinc/76/46/91/1076764691.db2.gz BCEKDSUMJBZPQO-IIBYNOLFSA-N 1 2 424.545 2.870 20 0 HFADLO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC000787354166 1076794256 /nfs/dbraw/zinc/79/42/56/1076794256.db2.gz GRKWCYBPXSBKAI-LJQANCHMSA-N 1 2 416.566 2.633 20 0 HFADLO Cc1cccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC000787354166 1076794259 /nfs/dbraw/zinc/79/42/59/1076794259.db2.gz GRKWCYBPXSBKAI-LJQANCHMSA-N 1 2 416.566 2.633 20 0 HFADLO Cc1cnn(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1 ZINC000787388519 1076805114 /nfs/dbraw/zinc/80/51/14/1076805114.db2.gz CXYMEDHBHQLCOZ-UHFFFAOYSA-N 1 2 406.328 2.735 20 0 HFADLO Cc1ccc(C(C)C)c(OCc2nnc(SCC[N@@H+]3CCO[C@@H](C)C3)n2N)c1 ZINC000787489550 1076823745 /nfs/dbraw/zinc/82/37/45/1076823745.db2.gz PEXRYMLWTRLGCE-INIZCTEOSA-N 1 2 405.568 2.816 20 0 HFADLO Cc1ccc(C(C)C)c(OCc2nnc(SCC[N@H+]3CCO[C@@H](C)C3)n2N)c1 ZINC000787489550 1076823750 /nfs/dbraw/zinc/82/37/50/1076823750.db2.gz PEXRYMLWTRLGCE-INIZCTEOSA-N 1 2 405.568 2.816 20 0 HFADLO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C[C@H]1C ZINC000787483240 1076840449 /nfs/dbraw/zinc/84/04/49/1076840449.db2.gz PCGCKDANSCBFOA-OWCLPIDISA-N 1 2 405.543 2.689 20 0 HFADLO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C[C@H]1C ZINC000787483240 1076840456 /nfs/dbraw/zinc/84/04/56/1076840456.db2.gz PCGCKDANSCBFOA-OWCLPIDISA-N 1 2 405.543 2.689 20 0 HFADLO O=C(C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1)Nc1ccc(N2CCCC2)cc1 ZINC000787675925 1076890420 /nfs/dbraw/zinc/89/04/20/1076890420.db2.gz MGWWRRYYCTUVCP-XMMPIXPASA-N 1 2 409.530 2.879 20 0 HFADLO O=C(C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1)Nc1ccc(N2CCCC2)cc1 ZINC000787675925 1076890425 /nfs/dbraw/zinc/89/04/25/1076890425.db2.gz MGWWRRYYCTUVCP-XMMPIXPASA-N 1 2 409.530 2.879 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(O)cc3O)cc2Br)CC1 ZINC000787668707 1076905517 /nfs/dbraw/zinc/90/55/17/1076905517.db2.gz DXJZDFQGJFCIAX-UHFFFAOYSA-N 1 2 406.280 2.864 20 0 HFADLO COCc1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)co1 ZINC000787672370 1076906300 /nfs/dbraw/zinc/90/63/00/1076906300.db2.gz SHWMBIVDAXCSIT-UHFFFAOYSA-N 1 2 409.284 2.588 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCN(C(=O)CC3CCCCC3)CC2)C1 ZINC000787711242 1076922292 /nfs/dbraw/zinc/92/22/92/1076922292.db2.gz NYULHDPWSLHTKY-XXBNENTESA-N 1 2 423.598 2.861 20 0 HFADLO C[C@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc(OC(F)F)c1 ZINC000787865499 1076986356 /nfs/dbraw/zinc/98/63/56/1076986356.db2.gz RRBBFVUPFPYKOJ-DZGCQCFKSA-N 1 2 406.433 2.605 20 0 HFADLO Cc1cc(N2CCN(S(=O)(=O)c3cnc(Cl)c(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000787918465 1076995521 /nfs/dbraw/zinc/99/55/21/1076995521.db2.gz MMZJOSJKTAVWPH-UHFFFAOYSA-N 1 2 413.906 2.607 20 0 HFADLO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cn1nc(C2CC2)n(CCC(N)=O)c1=S ZINC000746714354 1077001676 /nfs/dbraw/zinc/00/16/76/1077001676.db2.gz KPSZJUPXWHDAJV-KRWDZBQOSA-N 1 2 415.563 2.840 20 0 HFADLO COc1ccccc1C[C@@H]1CCC[N@H+]1Cn1nc(C2CC2)n(CCC(N)=O)c1=S ZINC000746714354 1077001681 /nfs/dbraw/zinc/00/16/81/1077001681.db2.gz KPSZJUPXWHDAJV-KRWDZBQOSA-N 1 2 415.563 2.840 20 0 HFADLO CCN(CC)C(=O)C1CC[NH+](CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000746715704 1077003475 /nfs/dbraw/zinc/00/34/75/1077003475.db2.gz HGYDKDFDLDJUDW-AOMKIAJQSA-N 1 2 406.571 2.661 20 0 HFADLO COCN1C(=O)CCc2cc(NC(=O)[C@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc21 ZINC000787944001 1077019642 /nfs/dbraw/zinc/01/96/42/1077019642.db2.gz DDUVPNGTTYYJFB-MRUHUIDDSA-N 1 2 403.523 2.642 20 0 HFADLO COCN1C(=O)CCc2cc(NC(=O)[C@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc21 ZINC000787944001 1077019650 /nfs/dbraw/zinc/01/96/50/1077019650.db2.gz DDUVPNGTTYYJFB-MRUHUIDDSA-N 1 2 403.523 2.642 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000787994623 1077021508 /nfs/dbraw/zinc/02/15/08/1077021508.db2.gz IVFCZOGKPYSCCY-OAQYLSRUSA-N 1 2 402.495 2.810 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000787994623 1077021513 /nfs/dbraw/zinc/02/15/13/1077021513.db2.gz IVFCZOGKPYSCCY-OAQYLSRUSA-N 1 2 402.495 2.810 20 0 HFADLO COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787996781 1077022521 /nfs/dbraw/zinc/02/25/21/1077022521.db2.gz OVQBNJSAGIMIFU-HSZRJFAPSA-N 1 2 417.550 2.925 20 0 HFADLO COCc1ccccc1CNC(=O)C[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787996781 1077022528 /nfs/dbraw/zinc/02/25/28/1077022528.db2.gz OVQBNJSAGIMIFU-HSZRJFAPSA-N 1 2 417.550 2.925 20 0 HFADLO C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788002712 1077024706 /nfs/dbraw/zinc/02/47/06/1077024706.db2.gz HXHNNBONFCYADC-MRXNPFEDSA-N 1 2 401.511 2.680 20 0 HFADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)cc1F ZINC000788003724 1077025456 /nfs/dbraw/zinc/02/54/56/1077025456.db2.gz JJXKOXXSJYDYEB-OAHLLOKOSA-N 1 2 409.502 2.813 20 0 HFADLO C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004983 1077026661 /nfs/dbraw/zinc/02/66/61/1077026661.db2.gz XQDZNRKAENETOV-KRWDZBQOSA-N 1 2 417.550 2.706 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 ZINC000788153679 1077069725 /nfs/dbraw/zinc/06/97/25/1077069725.db2.gz HEPXSSSKHDDUGN-FQEVSTJZSA-N 1 2 407.426 2.850 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1 ZINC000788153680 1077069745 /nfs/dbraw/zinc/06/97/45/1077069745.db2.gz HEPXSSSKHDDUGN-HXUWFJFHSA-N 1 2 407.426 2.850 20 0 HFADLO COc1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cnc1Br ZINC000788155054 1077070354 /nfs/dbraw/zinc/07/03/54/1077070354.db2.gz CRVUKMOOACHCPL-UHFFFAOYSA-N 1 2 420.307 2.690 20 0 HFADLO CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)o1 ZINC000788239433 1077084687 /nfs/dbraw/zinc/08/46/87/1077084687.db2.gz CAXTTYBXKSFCFK-AWEZNQCLSA-N 1 2 405.520 2.882 20 0 HFADLO CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)o1 ZINC000788239433 1077084692 /nfs/dbraw/zinc/08/46/92/1077084692.db2.gz CAXTTYBXKSFCFK-AWEZNQCLSA-N 1 2 405.520 2.882 20 0 HFADLO O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788243453 1077085806 /nfs/dbraw/zinc/08/58/06/1077085806.db2.gz MLTLNBKBWGTYQF-MRXNPFEDSA-N 1 2 405.502 2.841 20 0 HFADLO O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788243453 1077085809 /nfs/dbraw/zinc/08/58/09/1077085809.db2.gz MLTLNBKBWGTYQF-MRXNPFEDSA-N 1 2 405.502 2.841 20 0 HFADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCSc3c(F)cccc32)C1 ZINC000788463111 1077167732 /nfs/dbraw/zinc/16/77/32/1077167732.db2.gz KXECFOPKWWXODO-XJKSGUPXSA-N 1 2 402.495 2.619 20 0 HFADLO O=C(NCCSC(F)(F)F)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000788508517 1077186294 /nfs/dbraw/zinc/18/62/94/1077186294.db2.gz VWAVWXRWQCEASA-UHFFFAOYSA-N 1 2 423.888 2.744 20 0 HFADLO O=C(NCCSC(F)(F)F)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000788508517 1077186297 /nfs/dbraw/zinc/18/62/97/1077186297.db2.gz VWAVWXRWQCEASA-UHFFFAOYSA-N 1 2 423.888 2.744 20 0 HFADLO CO[C@@H]1CCOc2c(NC(=O)C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cccc21 ZINC000790912533 1077246368 /nfs/dbraw/zinc/24/63/68/1077246368.db2.gz UUOFUZSDFDAJHS-IAGOWNOFSA-N 1 2 400.479 2.523 20 0 HFADLO Cc1ccccc1C(=O)NC1CC[NH+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1 ZINC000788772997 1077296317 /nfs/dbraw/zinc/29/63/17/1077296317.db2.gz SXUDNLYQVKZXRC-FQEVSTJZSA-N 1 2 419.525 2.765 20 0 HFADLO COC(=O)N1CCN(c2cc[nH+]cc2NS(=O)(=O)c2cc(C)c(F)c(C)c2)CC1 ZINC000791111499 1077300994 /nfs/dbraw/zinc/30/09/94/1077300994.db2.gz VUYYLWFSCCEATP-UHFFFAOYSA-N 1 2 422.482 2.527 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccc(OC(F)(F)Cl)cc3)cc2C1 ZINC000788837139 1077315555 /nfs/dbraw/zinc/31/55/55/1077315555.db2.gz UEPWGKBLRSTLAG-UHFFFAOYSA-N 1 2 409.820 2.950 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccc(OC(F)(F)Cl)cc3)cc2C1 ZINC000788837139 1077315557 /nfs/dbraw/zinc/31/55/57/1077315557.db2.gz UEPWGKBLRSTLAG-UHFFFAOYSA-N 1 2 409.820 2.950 20 0 HFADLO Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3c(F)cc(O)cc3F)CC2)cc1 ZINC000746985820 1077318970 /nfs/dbraw/zinc/31/89/70/1077318970.db2.gz KIYUZHVGKCZTDV-UHFFFAOYSA-N 1 2 418.440 2.870 20 0 HFADLO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3c(F)cc(O)cc3F)CC2)cc1 ZINC000746985820 1077318976 /nfs/dbraw/zinc/31/89/76/1077318976.db2.gz KIYUZHVGKCZTDV-UHFFFAOYSA-N 1 2 418.440 2.870 20 0 HFADLO CC1(C)NC(=O)N(CCCC(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1=O ZINC000791273170 1077355896 /nfs/dbraw/zinc/35/58/96/1077355896.db2.gz NMUZPBZSEXOHBE-OAHLLOKOSA-N 1 2 415.538 2.542 20 0 HFADLO CC1(C)NC(=O)N(CCCC(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C1=O ZINC000791273170 1077355903 /nfs/dbraw/zinc/35/59/03/1077355903.db2.gz NMUZPBZSEXOHBE-OAHLLOKOSA-N 1 2 415.538 2.542 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O ZINC000791275180 1077356423 /nfs/dbraw/zinc/35/64/23/1077356423.db2.gz RUJLGYKJEAPAOW-UHFFFAOYSA-N 1 2 410.474 2.821 20 0 HFADLO O=C(Cc1cccnc1Br)NCc1ccccc1C[NH+]1CCOCC1 ZINC000791305873 1077365928 /nfs/dbraw/zinc/36/59/28/1077365928.db2.gz MXNLZVDIXQBNRQ-UHFFFAOYSA-N 1 2 404.308 2.535 20 0 HFADLO CN1CC[NH+](Cc2cccc(NC(=O)Cc3cccnc3Br)c2)CC1 ZINC000791334164 1077377364 /nfs/dbraw/zinc/37/73/64/1077377364.db2.gz VVQARHICXCLMNU-UHFFFAOYSA-N 1 2 403.324 2.773 20 0 HFADLO CC[N@H+](C)[C@H](C(=O)OCCN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000791392522 1077397509 /nfs/dbraw/zinc/39/75/09/1077397509.db2.gz SOERSOXMLLCHBA-FQEVSTJZSA-N 1 2 404.532 2.684 20 0 HFADLO CC[N@@H+](C)[C@H](C(=O)OCCN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000791392522 1077397515 /nfs/dbraw/zinc/39/75/15/1077397515.db2.gz SOERSOXMLLCHBA-FQEVSTJZSA-N 1 2 404.532 2.684 20 0 HFADLO CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791497911 1077461857 /nfs/dbraw/zinc/46/18/57/1077461857.db2.gz UEUCSHGYVSJCPD-HXUWFJFHSA-N 1 2 413.499 2.863 20 0 HFADLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791587042 1077492551 /nfs/dbraw/zinc/49/25/51/1077492551.db2.gz FHGMZZTWALMRTL-HNNXBMFYSA-N 1 2 403.504 2.892 20 0 HFADLO CCCS(=O)(=O)NC1CC[NH+]([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000789313488 1077510958 /nfs/dbraw/zinc/51/09/58/1077510958.db2.gz MIOUYFVYYUNQKA-LJQANCHMSA-N 1 2 407.580 2.511 20 0 HFADLO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)NCC(=O)c1ccccc1 ZINC000789315375 1077516148 /nfs/dbraw/zinc/51/61/48/1077516148.db2.gz JMNNFACCUCSWJW-UHFFFAOYSA-N 1 2 401.894 2.825 20 0 HFADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000789364654 1077539498 /nfs/dbraw/zinc/53/94/98/1077539498.db2.gz BUHOVGOLENZTTA-CYBMUJFWSA-N 1 2 411.418 2.918 20 0 HFADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000789364654 1077539501 /nfs/dbraw/zinc/53/95/01/1077539501.db2.gz BUHOVGOLENZTTA-CYBMUJFWSA-N 1 2 411.418 2.918 20 0 HFADLO CCCCNC(=O)C1CC[NH+](CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)CC1 ZINC000789423782 1077553955 /nfs/dbraw/zinc/55/39/55/1077553955.db2.gz HVXJHYDPMTVYGC-JOCHJYFZSA-N 1 2 406.571 2.709 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)C1=O ZINC000789426227 1077556900 /nfs/dbraw/zinc/55/69/00/1077556900.db2.gz SVBJRPSTNMDJSJ-JOCHJYFZSA-N 1 2 406.571 2.660 20 0 HFADLO CC(C)[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O ZINC000789440186 1077572998 /nfs/dbraw/zinc/57/29/98/1077572998.db2.gz BBBKCSSRUURGTM-NRFANRHFSA-N 1 2 406.477 2.791 20 0 HFADLO CC(C)[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O ZINC000789440186 1077573003 /nfs/dbraw/zinc/57/30/03/1077573003.db2.gz BBBKCSSRUURGTM-NRFANRHFSA-N 1 2 406.477 2.791 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)C1=O ZINC000789439938 1077573360 /nfs/dbraw/zinc/57/33/60/1077573360.db2.gz DJLFLSSXWQFFRS-FGZHOGPDSA-N 1 2 403.498 2.813 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)C1=O ZINC000789439938 1077573363 /nfs/dbraw/zinc/57/33/63/1077573363.db2.gz DJLFLSSXWQFFRS-FGZHOGPDSA-N 1 2 403.498 2.813 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)C1=O ZINC000789439937 1077573454 /nfs/dbraw/zinc/57/34/54/1077573454.db2.gz DJLFLSSXWQFFRS-FCHUYYIVSA-N 1 2 403.498 2.813 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)C1=O ZINC000789439937 1077573457 /nfs/dbraw/zinc/57/34/57/1077573457.db2.gz DJLFLSSXWQFFRS-FCHUYYIVSA-N 1 2 403.498 2.813 20 0 HFADLO CC(C)(C)c1cc[nH+]c(NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC001170107963 1077574285 /nfs/dbraw/zinc/57/42/85/1077574285.db2.gz JCLKGUGKKDICQL-UHFFFAOYSA-N 1 2 402.564 2.798 20 0 HFADLO Nc1cc(COC(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)cc[nH+]1 ZINC000791827515 1077575603 /nfs/dbraw/zinc/57/56/03/1077575603.db2.gz UCPZFNUWYFJDRY-UHFFFAOYSA-N 1 2 407.467 2.528 20 0 HFADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)Nc3ccc(Cl)nc3C)CC2)c1 ZINC000789463077 1077583810 /nfs/dbraw/zinc/58/38/10/1077583810.db2.gz IMNWKZISCAMZMY-OAHLLOKOSA-N 1 2 416.909 2.896 20 0 HFADLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(Br)cc1N1CCOCC1 ZINC000789512683 1077605306 /nfs/dbraw/zinc/60/53/06/1077605306.db2.gz AUMLWNIYTFFCNP-UHFFFAOYSA-N 1 2 419.385 2.541 20 0 HFADLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(Br)cc1N1CCOCC1 ZINC000789512683 1077605308 /nfs/dbraw/zinc/60/53/08/1077605308.db2.gz AUMLWNIYTFFCNP-UHFFFAOYSA-N 1 2 419.385 2.541 20 0 HFADLO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521386 1077617351 /nfs/dbraw/zinc/61/73/51/1077617351.db2.gz MTOGXPPXUHLXJN-MBSDFSHPSA-N 1 2 418.541 2.948 20 0 HFADLO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521386 1077617354 /nfs/dbraw/zinc/61/73/54/1077617354.db2.gz MTOGXPPXUHLXJN-MBSDFSHPSA-N 1 2 418.541 2.948 20 0 HFADLO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000792024651 1077655771 /nfs/dbraw/zinc/65/57/71/1077655771.db2.gz BFCOYTQTXJPALQ-MRXNPFEDSA-N 1 2 405.543 2.995 20 0 HFADLO Cc1nc2c(cccc2C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000792063520 1077670963 /nfs/dbraw/zinc/67/09/63/1077670963.db2.gz YORMWUQEJRWXRR-UHFFFAOYSA-N 1 2 402.495 2.809 20 0 HFADLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000792229508 1077753765 /nfs/dbraw/zinc/75/37/65/1077753765.db2.gz METRGGOAJCHLSS-YLJYHZDGSA-N 1 2 400.519 2.646 20 0 HFADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789767518 1077768517 /nfs/dbraw/zinc/76/85/17/1077768517.db2.gz CLDLKEFIAYMSEN-SFHVURJKSA-N 1 2 408.289 2.662 20 0 HFADLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789767518 1077768521 /nfs/dbraw/zinc/76/85/21/1077768521.db2.gz CLDLKEFIAYMSEN-SFHVURJKSA-N 1 2 408.289 2.662 20 0 HFADLO O=C1O[C@H](C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC12CCC2 ZINC000792215648 1077769090 /nfs/dbraw/zinc/76/90/90/1077769090.db2.gz RFECEJLXTAZSHW-ZDUSSCGKSA-N 1 2 418.968 2.584 20 0 HFADLO O=C1O[C@H](C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC12CCC2 ZINC000792215648 1077769094 /nfs/dbraw/zinc/76/90/94/1077769094.db2.gz RFECEJLXTAZSHW-ZDUSSCGKSA-N 1 2 418.968 2.584 20 0 HFADLO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792218705 1077771724 /nfs/dbraw/zinc/77/17/24/1077771724.db2.gz RVILZYULZAIMPX-MRXNPFEDSA-N 1 2 407.308 2.693 20 0 HFADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000792250072 1077779060 /nfs/dbraw/zinc/77/90/60/1077779060.db2.gz BQLLEPFAYBKQJM-SJORKVTESA-N 1 2 420.554 2.997 20 0 HFADLO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccc2c1OCCO2 ZINC000746851472 1077782244 /nfs/dbraw/zinc/78/22/44/1077782244.db2.gz MAIABGHIJGJQSX-UHFFFAOYSA-N 1 2 411.502 2.755 20 0 HFADLO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccc2c1OCCO2 ZINC000746851472 1077782249 /nfs/dbraw/zinc/78/22/49/1077782249.db2.gz MAIABGHIJGJQSX-UHFFFAOYSA-N 1 2 411.502 2.755 20 0 HFADLO COC(=O)[C@]1(NC(=O)c2[nH]nc3c2CCCCC3)CCC[N@H+](Cc2ccccc2)C1 ZINC000789805636 1077806713 /nfs/dbraw/zinc/80/67/13/1077806713.db2.gz IILUAVFHLJMSIR-QHCPKHFHSA-N 1 2 410.518 2.616 20 0 HFADLO COC(=O)[C@]1(NC(=O)c2[nH]nc3c2CCCCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC000789805636 1077806724 /nfs/dbraw/zinc/80/67/24/1077806724.db2.gz IILUAVFHLJMSIR-QHCPKHFHSA-N 1 2 410.518 2.616 20 0 HFADLO COc1ccc2c(c1NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)CCC2 ZINC000792459642 1077858064 /nfs/dbraw/zinc/85/80/64/1077858064.db2.gz KMHKOAUUYIASOL-MRXNPFEDSA-N 1 2 418.538 2.857 20 0 HFADLO COc1ccc2c(c1NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)CCC2 ZINC000792459642 1077858073 /nfs/dbraw/zinc/85/80/73/1077858073.db2.gz KMHKOAUUYIASOL-MRXNPFEDSA-N 1 2 418.538 2.857 20 0 HFADLO COCC[N@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@H]1CC[C@H](C)C1 ZINC000792465145 1077859221 /nfs/dbraw/zinc/85/92/21/1077859221.db2.gz KHZJFUUPGTXSEU-KBPBESRZSA-N 1 2 404.479 2.758 20 0 HFADLO COCC[N@@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@H]1CC[C@H](C)C1 ZINC000792465145 1077859227 /nfs/dbraw/zinc/85/92/27/1077859227.db2.gz KHZJFUUPGTXSEU-KBPBESRZSA-N 1 2 404.479 2.758 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000792491707 1077865254 /nfs/dbraw/zinc/86/52/54/1077865254.db2.gz MLLDKGFCJYGUFL-VQIMIIECSA-N 1 2 423.529 2.613 20 0 HFADLO CN(C[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1)C(=O)OC(C)(C)C ZINC000789963633 1077872421 /nfs/dbraw/zinc/87/24/21/1077872421.db2.gz NNIRRDKHAJVTDZ-HKUYNNGSSA-N 1 2 409.571 2.735 20 0 HFADLO CN(C[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1)C(=O)OC(C)(C)C ZINC000789963633 1077872423 /nfs/dbraw/zinc/87/24/23/1077872423.db2.gz NNIRRDKHAJVTDZ-HKUYNNGSSA-N 1 2 409.571 2.735 20 0 HFADLO CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000789968099 1077875550 /nfs/dbraw/zinc/87/55/50/1077875550.db2.gz OPTCIXNHOOYHFH-UTKZUKDTSA-N 1 2 400.567 2.923 20 0 HFADLO CC[C@H](C)n1ncc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1C ZINC000792480340 1077876445 /nfs/dbraw/zinc/87/64/45/1077876445.db2.gz AHWPTSSZKIXAJG-HOCLYGCPSA-N 1 2 408.547 2.835 20 0 HFADLO CC[C@H](C)n1ncc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1C ZINC000792480340 1077876452 /nfs/dbraw/zinc/87/64/52/1077876452.db2.gz AHWPTSSZKIXAJG-HOCLYGCPSA-N 1 2 408.547 2.835 20 0 HFADLO Nc1[nH+]ccc2c1CN(C(=O)C1CCN(C(=O)c3ccc(Cl)s3)CC1)CC2 ZINC001170257594 1077920114 /nfs/dbraw/zinc/92/01/14/1077920114.db2.gz GRPVNGDUOFOLRX-UHFFFAOYSA-N 1 2 404.923 2.816 20 0 HFADLO C[C@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H]2c3nc(N(C)C)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001170279159 1077935087 /nfs/dbraw/zinc/93/50/87/1077935087.db2.gz ZXBNAAJSRHXCMJ-RPVQJOFSSA-N 1 2 420.966 2.523 20 0 HFADLO C[C@H](Cc1ccccc1Cl)[N@H+]1C[C@@H]2c3nc(N(C)C)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001170279159 1077935089 /nfs/dbraw/zinc/93/50/89/1077935089.db2.gz ZXBNAAJSRHXCMJ-RPVQJOFSSA-N 1 2 420.966 2.523 20 0 HFADLO C[C@H](CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000790130607 1077952011 /nfs/dbraw/zinc/95/20/11/1077952011.db2.gz BANCUHJAPAQYON-QZTJIDSGSA-N 1 2 411.587 2.839 20 0 HFADLO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001170375301 1077961898 /nfs/dbraw/zinc/96/18/98/1077961898.db2.gz FRHVVAJWKBZQCD-NLWGTHIKSA-N 1 2 404.511 2.537 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000790162906 1077963262 /nfs/dbraw/zinc/96/32/62/1077963262.db2.gz YTUKWRPYHACXLA-GOSISDBHSA-N 1 2 424.586 2.530 20 0 HFADLO O=C(COc1ccc2cc(Br)ccc2c1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001170129235 1077965065 /nfs/dbraw/zinc/96/50/65/1077965065.db2.gz INFYJYWDUDJLFS-SFHVURJKSA-N 1 2 415.291 2.877 20 0 HFADLO Cn1ncnc1-c1ccc(OC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC000792671807 1077969811 /nfs/dbraw/zinc/96/98/11/1077969811.db2.gz HOAAVPAHDDGNOS-UHFFFAOYSA-N 1 2 416.441 2.927 20 0 HFADLO COC(=O)c1ccc(OC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1OC ZINC000792723623 1077975114 /nfs/dbraw/zinc/97/51/14/1077975114.db2.gz UYIXSZWBSVUNPC-UHFFFAOYSA-N 1 2 423.425 2.926 20 0 HFADLO Cc1coc(C)c1C(=O)OCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000792758212 1077987330 /nfs/dbraw/zinc/98/73/30/1077987330.db2.gz SVCKDLJCKIZUBN-UHFFFAOYSA-N 1 2 400.479 2.624 20 0 HFADLO C[C@H]1C[N@H+](CCNC(=O)N(C)Cc2ccc(Br)cc2Cl)CCO1 ZINC000790270991 1077991676 /nfs/dbraw/zinc/99/16/76/1077991676.db2.gz XIZDRMYHBDNSQH-LBPRGKRZSA-N 1 2 404.736 2.965 20 0 HFADLO C[C@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccc(Br)cc2Cl)CCO1 ZINC000790270991 1077991678 /nfs/dbraw/zinc/99/16/78/1077991678.db2.gz XIZDRMYHBDNSQH-LBPRGKRZSA-N 1 2 404.736 2.965 20 0 HFADLO C[C@@]1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792779116 1077999233 /nfs/dbraw/zinc/99/92/33/1077999233.db2.gz BPWPZEQSCHOLDU-HSZRJFAPSA-N 1 2 408.502 2.779 20 0 HFADLO O=S(=O)(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(-n2cnnn2)cc1 ZINC000790421994 1078022499 /nfs/dbraw/zinc/02/24/99/1078022499.db2.gz JCDYPRPVXRJNQN-UHFFFAOYSA-N 1 2 422.470 2.630 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(NC(=O)NC3CCCCC3)CC1)C2 ZINC000790438344 1078031308 /nfs/dbraw/zinc/03/13/08/1078031308.db2.gz IZCBDBGLFKHPBZ-UHFFFAOYSA-N 1 2 400.523 2.705 20 0 HFADLO COc1ccccc1-c1nc(C2CC[NH+](CN3C[C@]4(CCOC4)CC3=O)CC2)no1 ZINC000790456508 1078037397 /nfs/dbraw/zinc/03/73/97/1078037397.db2.gz YJODRXJRMFOPDW-QFIPXVFZSA-N 1 2 412.490 2.521 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000790474268 1078039745 /nfs/dbraw/zinc/03/97/45/1078039745.db2.gz RXGABTKTIMHSEA-GLZQIGESSA-N 1 2 423.443 2.621 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000790474268 1078039750 /nfs/dbraw/zinc/03/97/50/1078039750.db2.gz RXGABTKTIMHSEA-GLZQIGESSA-N 1 2 423.443 2.621 20 0 HFADLO COC(=O)N1CCC(CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000806260332 1079526901 /nfs/dbraw/zinc/52/69/01/1079526901.db2.gz OUNAHNGWQRPRMJ-INIZCTEOSA-N 1 2 404.511 2.680 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@H]3CC3(Cl)Cl)CC2)C1 ZINC000806314303 1079566530 /nfs/dbraw/zinc/56/65/30/1079566530.db2.gz UAHJJTLLZVEQCV-KGLIPLIRSA-N 1 2 421.369 2.517 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCCc3cccc(F)c3)CC2)C1 ZINC000806334361 1079606305 /nfs/dbraw/zinc/60/63/05/1079606305.db2.gz FIISTNPVLGARSP-LJQANCHMSA-N 1 2 420.529 2.705 20 0 HFADLO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000806388156 1079638175 /nfs/dbraw/zinc/63/81/75/1079638175.db2.gz BEANZSKYYGUEMG-MRXNPFEDSA-N 1 2 402.451 2.657 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCc3cccc(F)c3)CC2)C1 ZINC000806366852 1079653426 /nfs/dbraw/zinc/65/34/26/1079653426.db2.gz FJGYCTPHBCNKNU-GOSISDBHSA-N 1 2 406.502 2.662 20 0 HFADLO CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[C@H]2CCCC[C@@H]21 ZINC001130633542 1079719332 /nfs/dbraw/zinc/71/93/32/1079719332.db2.gz SUHLZDPYPGFNLI-ZRNYENFQSA-N 1 2 421.582 2.878 20 0 HFADLO CC(C)n1ccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000806505924 1079756857 /nfs/dbraw/zinc/75/68/57/1079756857.db2.gz CPPOQUXXELFSPC-MRXNPFEDSA-N 1 2 406.531 2.623 20 0 HFADLO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000806481952 1079767839 /nfs/dbraw/zinc/76/78/39/1079767839.db2.gz LKCRVQZCQINQNH-OAQYLSRUSA-N 1 2 423.517 2.711 20 0 HFADLO COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000806538551 1079776763 /nfs/dbraw/zinc/77/67/63/1079776763.db2.gz LFEHIRNPKHIDMR-HNNXBMFYSA-N 1 2 420.441 2.796 20 0 HFADLO Cc1ccsc1CNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806542713 1079781625 /nfs/dbraw/zinc/78/16/25/1079781625.db2.gz XEHHRIPNNXEVOT-MRXNPFEDSA-N 1 2 408.568 2.893 20 0 HFADLO O=C(N[C@H](c1nn[nH]n1)c1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000806544875 1079783289 /nfs/dbraw/zinc/78/32/89/1079783289.db2.gz AHZWCIZZVNPKPM-ROUUACIJSA-N 1 2 412.444 2.563 20 0 HFADLO O=C(N[C@H](c1nn[nH]n1)c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000806544875 1079783298 /nfs/dbraw/zinc/78/32/98/1079783298.db2.gz AHZWCIZZVNPKPM-ROUUACIJSA-N 1 2 412.444 2.563 20 0 HFADLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000806724024 1079948676 /nfs/dbraw/zinc/94/86/76/1079948676.db2.gz JTIAYEJMAXWOBG-LJQANCHMSA-N 1 2 424.586 2.720 20 0 HFADLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000806724024 1079948677 /nfs/dbraw/zinc/94/86/77/1079948677.db2.gz JTIAYEJMAXWOBG-LJQANCHMSA-N 1 2 424.586 2.720 20 0 HFADLO C[C@H](NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000806741850 1079997023 /nfs/dbraw/zinc/99/70/23/1079997023.db2.gz SIEZUPIDGDEBMK-CMKODMSKSA-N 1 2 424.586 2.719 20 0 HFADLO CC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 ZINC000806854413 1080059440 /nfs/dbraw/zinc/05/94/40/1080059440.db2.gz DXEKEBKUGODOOP-RTBURBONSA-N 1 2 417.554 2.869 20 0 HFADLO CC[C@@H](NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccncc1 ZINC000806855102 1080060190 /nfs/dbraw/zinc/06/01/90/1080060190.db2.gz YZWYRYZWZWHNLD-RBUKOAKNSA-N 1 2 417.554 2.869 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)c1C ZINC000806878242 1080077013 /nfs/dbraw/zinc/07/70/13/1080077013.db2.gz NYPIDXHYTYEVOD-UHFFFAOYSA-N 1 2 411.458 2.706 20 0 HFADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)c1ccccc1 ZINC000806922077 1080091066 /nfs/dbraw/zinc/09/10/66/1080091066.db2.gz VOSDOYURVYIJCQ-LJQANCHMSA-N 1 2 406.486 2.686 20 0 HFADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000806952629 1080161523 /nfs/dbraw/zinc/16/15/23/1080161523.db2.gz AFLUOQDZLJWHEU-RTBURBONSA-N 1 2 417.456 2.692 20 0 HFADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000806952629 1080161527 /nfs/dbraw/zinc/16/15/27/1080161527.db2.gz AFLUOQDZLJWHEU-RTBURBONSA-N 1 2 417.456 2.692 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NC[C@]3(C)CCCS3)CC2)C1 ZINC000806955547 1080166928 /nfs/dbraw/zinc/16/69/28/1080166928.db2.gz ASMMCAHOSSOORR-UZLBHIALSA-N 1 2 412.600 2.609 20 0 HFADLO C[C@@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(OC(F)(F)F)c1 ZINC000806991550 1080170197 /nfs/dbraw/zinc/17/01/97/1080170197.db2.gz KDWWTJNJBNDEIG-GFCCVEGCSA-N 1 2 406.364 2.727 20 0 HFADLO CN(C[C@@H]1C[C@H](F)CN1C(=O)NCc1ccn2cc[nH+]c2c1)C(=O)OC(C)(C)C ZINC000806973785 1080184688 /nfs/dbraw/zinc/18/46/88/1080184688.db2.gz JVNKQKYXJYYUMS-HOTGVXAUSA-N 1 2 405.474 2.823 20 0 HFADLO COc1ccc2cc(NC(=O)C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)ccc2c1 ZINC000807006015 1080205755 /nfs/dbraw/zinc/20/57/55/1080205755.db2.gz RBMAYICXDWMVRJ-HXUWFJFHSA-N 1 2 411.502 2.500 20 0 HFADLO CCCCNC(=O)OC[C@H]1CCCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000807020433 1080215809 /nfs/dbraw/zinc/21/58/09/1080215809.db2.gz WTVWLOLZEICYSA-ZWKOTPCHSA-N 1 2 403.527 2.751 20 0 HFADLO CSCC[C@@H](C)NC(=O)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000807050215 1080234916 /nfs/dbraw/zinc/23/49/16/1080234916.db2.gz JFABKDSZFRCQPU-OAHLLOKOSA-N 1 2 408.955 2.823 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NC[C@H]3CCCCS3)CC2)C1 ZINC000807096386 1080275207 /nfs/dbraw/zinc/27/52/07/1080275207.db2.gz GJNRCTXKLGOIQU-IAGOWNOFSA-N 1 2 412.600 2.609 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000807196860 1080344731 /nfs/dbraw/zinc/34/47/31/1080344731.db2.gz QDMPXZNSRYQVSH-CVEARBPZSA-N 1 2 416.513 2.758 20 0 HFADLO CS[C@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000807205806 1080354732 /nfs/dbraw/zinc/35/47/32/1080354732.db2.gz QSLCCYQSZGBRKL-PXNSSMCTSA-N 1 2 418.607 2.628 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)c(C)cc1Br ZINC000807281191 1080439896 /nfs/dbraw/zinc/43/98/96/1080439896.db2.gz RMIKQWYIAUVBFU-ZDUSSCGKSA-N 1 2 400.660 2.579 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1coc2c1cc(Br)cc2C ZINC000807283470 1080443615 /nfs/dbraw/zinc/44/36/15/1080443615.db2.gz IDTZKUICBAHDEJ-CQSZACIVSA-N 1 2 406.236 2.672 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000807284541 1080445602 /nfs/dbraw/zinc/44/56/02/1080445602.db2.gz NNXZCUCSNAIRFW-SFHVURJKSA-N 1 2 408.389 2.802 20 0 HFADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000747391460 1080499698 /nfs/dbraw/zinc/49/96/98/1080499698.db2.gz XTFYSBKGJUGYKC-UHFFFAOYSA-N 1 2 423.517 2.714 20 0 HFADLO Cc1cn2cc(NC(=O)C(=O)N3CCC([C@H](O)c4ccccc4C)CC3)ccc2[nH+]1 ZINC000807351898 1080558576 /nfs/dbraw/zinc/55/85/76/1080558576.db2.gz JOTZAXHPMHPEPU-NRFANRHFSA-N 1 2 406.486 2.862 20 0 HFADLO COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)c(C)c1OC ZINC000807522906 1080775486 /nfs/dbraw/zinc/77/54/86/1080775486.db2.gz DHYVWMFZCCBWHR-CQSZACIVSA-N 1 2 400.479 2.598 20 0 HFADLO C[C@@H](CNC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000747400914 1080777634 /nfs/dbraw/zinc/77/76/34/1080777634.db2.gz PKCXZCDLDBWOLV-QUYZQLMHSA-N 1 2 403.446 2.580 20 0 HFADLO CC(C)Oc1ccc([C@H](CNC(=O)N(C)CC(C)(C)S(C)(=O)=O)[NH+](C)C)cc1 ZINC000807589302 1080800672 /nfs/dbraw/zinc/80/06/72/1080800672.db2.gz VCBKRRWNZGFQIB-SFHVURJKSA-N 1 2 413.584 2.541 20 0 HFADLO CCOC(=O)c1cncnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164670260 719490997 /nfs/dbraw/zinc/49/09/97/719490997.db2.gz WXIKICSEFBFSFF-UHFFFAOYSA-N 1 2 414.481 2.664 20 0 HFADLO CCOC(=O)c1cncnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164670260 719491011 /nfs/dbraw/zinc/49/10/11/719491011.db2.gz WXIKICSEFBFSFF-UHFFFAOYSA-N 1 2 414.481 2.664 20 0 HFADLO NC(=O)c1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ccc1Cl ZINC001164672952 719496109 /nfs/dbraw/zinc/49/61/09/719496109.db2.gz LMLIAJNJNWZTIV-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO NC(=O)c1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ccc1Cl ZINC001164672952 719496117 /nfs/dbraw/zinc/49/61/17/719496117.db2.gz LMLIAJNJNWZTIV-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO CN(C)C(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164672249 719504823 /nfs/dbraw/zinc/50/48/23/719504823.db2.gz HWWQDYHIUHHMBK-UHFFFAOYSA-N 1 2 412.509 2.794 20 0 HFADLO CN(C)C(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164672249 719504826 /nfs/dbraw/zinc/50/48/26/719504826.db2.gz HWWQDYHIUHHMBK-UHFFFAOYSA-N 1 2 412.509 2.794 20 0 HFADLO CCOC(=O)c1cncc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164672277 719507173 /nfs/dbraw/zinc/50/71/73/719507173.db2.gz IFAXOEJNBYFXOM-UHFFFAOYSA-N 1 2 414.481 2.664 20 0 HFADLO CCOC(=O)c1cncc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164672277 719507192 /nfs/dbraw/zinc/50/71/92/719507192.db2.gz IFAXOEJNBYFXOM-UHFFFAOYSA-N 1 2 414.481 2.664 20 0 HFADLO C[C@@H]1C(=O)Nc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c21 ZINC001164673332 719513174 /nfs/dbraw/zinc/51/31/74/719513174.db2.gz ORHDSLIFPMKFPA-HNNXBMFYSA-N 1 2 411.481 2.543 20 0 HFADLO C[C@@H]1C(=O)Nc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c21 ZINC001164673332 719513180 /nfs/dbraw/zinc/51/31/80/719513180.db2.gz ORHDSLIFPMKFPA-HNNXBMFYSA-N 1 2 411.481 2.543 20 0 HFADLO NC(=S)Nc1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164679106 719528705 /nfs/dbraw/zinc/52/87/05/719528705.db2.gz SOKXWARLHHJAIJ-UHFFFAOYSA-N 1 2 415.538 2.748 20 0 HFADLO NC(=S)Nc1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164679106 719528723 /nfs/dbraw/zinc/52/87/23/719528723.db2.gz SOKXWARLHHJAIJ-UHFFFAOYSA-N 1 2 415.538 2.748 20 0 HFADLO COC(=O)c1ccc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)c(Cl)n1 ZINC001164677643 719564367 /nfs/dbraw/zinc/56/43/67/719564367.db2.gz QBFBOVQDCXICMV-UHFFFAOYSA-N 1 2 423.807 2.862 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2cc(Cl)ccc2n1 ZINC001164697967 719849789 /nfs/dbraw/zinc/84/97/89/719849789.db2.gz CWTJEODWRMXEAG-FOIQADDNSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2ccc(Cl)cc2n1 ZINC001164706000 719858655 /nfs/dbraw/zinc/85/86/55/719858655.db2.gz VXUPRIUBXNBKRU-UZLBHIALSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2ccc(Cl)cc2n1 ZINC001164705997 719858670 /nfs/dbraw/zinc/85/86/70/719858670.db2.gz VXUPRIUBXNBKRU-JXFKEZNVSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(-c2ccc(F)cc2)n1 ZINC001164707247 719877885 /nfs/dbraw/zinc/87/78/85/719877885.db2.gz RUGMOWUKUNSGHK-PGRDOPGGSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(F)c(-c2ccsc2)n1 ZINC001164699777 719878305 /nfs/dbraw/zinc/87/83/05/719878305.db2.gz IJXSLDFJIRFFIA-FOIQADDNSA-N 1 2 420.510 2.577 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCO[C@H]2[C@H]1CC[C@@H]2OCC(=O)N1CCCC1 ZINC001164713920 720087876 /nfs/dbraw/zinc/08/78/76/720087876.db2.gz VEGGGUKHARSMJS-UWVAXJGDSA-N 1 2 407.942 2.841 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCO[C@H]2[C@H]1CC[C@@H]2OCC(=O)N1CCCC1 ZINC001164713920 720087883 /nfs/dbraw/zinc/08/78/83/720087883.db2.gz VEGGGUKHARSMJS-UWVAXJGDSA-N 1 2 407.942 2.841 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5ccccc5n4)CC3)C2=O)cs1 ZINC001164829749 720357241 /nfs/dbraw/zinc/35/72/41/720357241.db2.gz UHNPWDORUPEMER-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5ccccc5n4)CC3)C2=O)cs1 ZINC001164829749 720357248 /nfs/dbraw/zinc/35/72/48/720357248.db2.gz UHNPWDORUPEMER-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO CCCc1cncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824144 720367631 /nfs/dbraw/zinc/36/76/31/720367631.db2.gz JPCVVUXHZZMMRR-UHFFFAOYSA-N 1 2 414.579 2.507 20 0 HFADLO CCCc1cncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824144 720367635 /nfs/dbraw/zinc/36/76/35/720367635.db2.gz JPCVVUXHZZMMRR-UHFFFAOYSA-N 1 2 414.579 2.507 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(C)c4F)CC3)C2=O)cs1 ZINC001164820336 720369888 /nfs/dbraw/zinc/36/98/88/720369888.db2.gz NWHFHVLXZHXLPN-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(C)c4F)CC3)C2=O)cs1 ZINC001164820336 720369894 /nfs/dbraw/zinc/36/98/94/720369894.db2.gz NWHFHVLXZHXLPN-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO Cc1cc(Cl)nc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)c1 ZINC001164860991 720896051 /nfs/dbraw/zinc/89/60/51/720896051.db2.gz WSUSQZHUKCFZMU-UHFFFAOYSA-N 1 2 420.851 2.800 20 0 HFADLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164769565 721068147 /nfs/dbraw/zinc/06/81/47/721068147.db2.gz OVMINKWNQDWZPB-MDZRGWNJSA-N 1 2 402.926 2.970 20 0 HFADLO Cn1cccc1C(=O)N[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164769565 721068149 /nfs/dbraw/zinc/06/81/49/721068149.db2.gz OVMINKWNQDWZPB-MDZRGWNJSA-N 1 2 402.926 2.970 20 0 HFADLO COc1cc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc(Cl)n1 ZINC001164786621 721438503 /nfs/dbraw/zinc/43/85/03/721438503.db2.gz VRWKSEJLNCUGPN-QWRGUYRKSA-N 1 2 401.870 2.708 20 0 HFADLO COc1ccccc1-c1ccnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165008075 721715112 /nfs/dbraw/zinc/71/51/12/721715112.db2.gz APTCXZVBYSQXCT-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO COc1ccccc1-c1ccnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165008075 721715115 /nfs/dbraw/zinc/71/51/15/721715115.db2.gz APTCXZVBYSQXCT-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H](OCC5CC5)[C@H]5COC[C@@H]54)c3C2)cc1 ZINC001165014764 721761170 /nfs/dbraw/zinc/76/11/70/721761170.db2.gz ILLASUPCCVFSBZ-PMVMPFDFSA-N 1 2 406.530 2.665 20 0 HFADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H](OCC5CC5)[C@H]5COC[C@@H]54)c3C2)cc1 ZINC001165014764 721761179 /nfs/dbraw/zinc/76/11/79/721761179.db2.gz ILLASUPCCVFSBZ-PMVMPFDFSA-N 1 2 406.530 2.665 20 0 HFADLO Clc1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913288 721769558 /nfs/dbraw/zinc/76/95/58/721769558.db2.gz VRUAIWVHWPUEQF-IBGZPJMESA-N 1 2 409.317 2.891 20 0 HFADLO Clc1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913288 721769562 /nfs/dbraw/zinc/76/95/62/721769562.db2.gz VRUAIWVHWPUEQF-IBGZPJMESA-N 1 2 409.317 2.891 20 0 HFADLO c1ccc(-c2nccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910781 721772805 /nfs/dbraw/zinc/77/28/05/721772805.db2.gz CEIRKOCXQYQCHP-XMMPIXPASA-N 1 2 417.513 2.646 20 0 HFADLO c1ccc(-c2nccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910781 721772808 /nfs/dbraw/zinc/77/28/08/721772808.db2.gz CEIRKOCXQYQCHP-XMMPIXPASA-N 1 2 417.513 2.646 20 0 HFADLO Clc1ccnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914620 721780835 /nfs/dbraw/zinc/78/08/35/721780835.db2.gz FKQUPCLMFBHDCX-IBGZPJMESA-N 1 2 409.317 2.891 20 0 HFADLO Clc1ccnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914620 721780839 /nfs/dbraw/zinc/78/08/39/721780839.db2.gz FKQUPCLMFBHDCX-IBGZPJMESA-N 1 2 409.317 2.891 20 0 HFADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(-c5ccncc5)cn4)CCO3)C2)c1 ZINC001164914640 721793149 /nfs/dbraw/zinc/79/31/49/721793149.db2.gz OSASGGUMHWRPRJ-DEOSSOPVSA-N 1 2 417.513 2.646 20 0 HFADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(-c5ccncc5)cn4)CCO3)C2)c1 ZINC001164914640 721793150 /nfs/dbraw/zinc/79/31/50/721793150.db2.gz OSASGGUMHWRPRJ-DEOSSOPVSA-N 1 2 417.513 2.646 20 0 HFADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(COC5CCC5)cn4)CCO3)C2)c1 ZINC001164914956 721799163 /nfs/dbraw/zinc/79/91/63/721799163.db2.gz SBBMEUKOTAELCH-DEOSSOPVSA-N 1 2 424.545 2.654 20 0 HFADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(COC5CCC5)cn4)CCO3)C2)c1 ZINC001164914956 721799165 /nfs/dbraw/zinc/79/91/65/721799165.db2.gz SBBMEUKOTAELCH-DEOSSOPVSA-N 1 2 424.545 2.654 20 0 HFADLO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917962 721815367 /nfs/dbraw/zinc/81/53/67/721815367.db2.gz SCBZUDPJNVBDDE-UHFFFAOYSA-N 1 2 420.517 2.753 20 0 HFADLO COc1cc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)nc(Cl)n1 ZINC001164919054 721821575 /nfs/dbraw/zinc/82/15/75/721821575.db2.gz LIMINGIAISEMFO-UHFFFAOYSA-N 1 2 412.872 2.630 20 0 HFADLO COc1cc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)nc(Cl)n1 ZINC001164919054 721821579 /nfs/dbraw/zinc/82/15/79/721821579.db2.gz LIMINGIAISEMFO-UHFFFAOYSA-N 1 2 412.872 2.630 20 0 HFADLO CCCc1cc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)nc(C)[nH+]1 ZINC001164923680 721830040 /nfs/dbraw/zinc/83/00/40/721830040.db2.gz UBKCATGWCXRMAJ-OAQYLSRUSA-N 1 2 417.579 2.610 20 0 HFADLO CN(c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1)C(C)(C)C ZINC001165020886 721833957 /nfs/dbraw/zinc/83/39/57/721833957.db2.gz FEKPISDTMWUCEN-UHFFFAOYSA-N 1 2 418.611 2.510 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)cc1Cl)CC2 ZINC001164945689 721969749 /nfs/dbraw/zinc/96/97/49/721969749.db2.gz QJKJNWOBFHHKOP-UHFFFAOYSA-N 1 2 406.317 2.754 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)cc1Cl)CC2 ZINC001164945689 721969753 /nfs/dbraw/zinc/96/97/53/721969753.db2.gz QJKJNWOBFHHKOP-UHFFFAOYSA-N 1 2 406.317 2.754 20 0 HFADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncc1C ZINC001164945014 721975016 /nfs/dbraw/zinc/97/50/16/721975016.db2.gz AGCFIUXSTBOJTM-UHFFFAOYSA-N 1 2 422.529 2.538 20 0 HFADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncc1C ZINC001164945014 721975017 /nfs/dbraw/zinc/97/50/17/721975017.db2.gz AGCFIUXSTBOJTM-UHFFFAOYSA-N 1 2 422.529 2.538 20 0 HFADLO CCCSc1cncc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164951418 721979826 /nfs/dbraw/zinc/97/98/26/721979826.db2.gz ZESKGCMPCHXDEO-UHFFFAOYSA-N 1 2 411.575 2.950 20 0 HFADLO CCCSc1cncc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164951418 721979827 /nfs/dbraw/zinc/97/98/27/721979827.db2.gz ZESKGCMPCHXDEO-UHFFFAOYSA-N 1 2 411.575 2.950 20 0 HFADLO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055384 722015014 /nfs/dbraw/zinc/01/50/14/722015014.db2.gz HKXADAWFNUQYEL-UHFFFAOYSA-N 1 2 404.852 2.983 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3cccc(Cl)n3)CC2)cc1 ZINC000792996021 1078043923 /nfs/dbraw/zinc/04/39/23/1078043923.db2.gz MXVJMAKXKKCCJK-UHFFFAOYSA-N 1 2 401.898 2.525 20 0 HFADLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCCC[C@H]2COC(=O)N2CCCC2)c1 ZINC001170139232 1078051105 /nfs/dbraw/zinc/05/11/05/1078051105.db2.gz IQQSBWPSRLYNBP-KRWDZBQOSA-N 1 2 410.536 2.556 20 0 HFADLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCCC[C@H]2COC(=O)N2CCCC2)c1 ZINC001170139232 1078051100 /nfs/dbraw/zinc/05/11/00/1078051100.db2.gz IQQSBWPSRLYNBP-KRWDZBQOSA-N 1 2 410.536 2.556 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N(CCCO)Cc3ccccn3)CC2)cc1 ZINC000793058047 1078068944 /nfs/dbraw/zinc/06/89/44/1078068944.db2.gz FUAAQTDXYQNVRB-UHFFFAOYSA-N 1 2 411.550 2.711 20 0 HFADLO CC[C@@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C[C@]2(CCOC2)O1 ZINC000793060280 1078069482 /nfs/dbraw/zinc/06/94/82/1078069482.db2.gz XIXXLIXJLSDNNY-GGAORHGYSA-N 1 2 416.566 2.701 20 0 HFADLO CN(C[C@@H]1C[C@H](F)CN1C(=O)NCC[NH+]1Cc2ccccc2C1)C(=O)OC(C)(C)C ZINC000790695030 1078098358 /nfs/dbraw/zinc/09/83/58/1078098358.db2.gz FTNUWCFSJBZXSO-OALUTQOASA-N 1 2 420.529 2.991 20 0 HFADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(F)(F)Cc1ccccc1 ZINC000793206786 1078105688 /nfs/dbraw/zinc/10/56/88/1078105688.db2.gz BWEBNBVNJOFYBJ-UHFFFAOYSA-N 1 2 404.457 2.892 20 0 HFADLO Cc1cc(=O)c(C(=O)OCCc2c[nH+]cn2C)nn1-c1cccc(C(F)(F)F)c1 ZINC000793251216 1078110656 /nfs/dbraw/zinc/11/06/56/1078110656.db2.gz OJXYKWZFTGALQA-UHFFFAOYSA-N 1 2 406.364 2.693 20 0 HFADLO CN(CCCn1cc[nH+]c1)C(=O)c1nc(Br)ccc1Br ZINC000790789006 1078134945 /nfs/dbraw/zinc/13/49/45/1078134945.db2.gz BVJPXMPIUJJGPR-UHFFFAOYSA-N 1 2 402.090 2.965 20 0 HFADLO C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000793332748 1078141050 /nfs/dbraw/zinc/14/10/50/1078141050.db2.gz IWQOIPCZIJPLIU-YQVWRLOYSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000793332748 1078141051 /nfs/dbraw/zinc/14/10/51/1078141051.db2.gz IWQOIPCZIJPLIU-YQVWRLOYSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000793332746 1078141080 /nfs/dbraw/zinc/14/10/80/1078141080.db2.gz IWQOIPCZIJPLIU-LNLFQRSKSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000793332746 1078141081 /nfs/dbraw/zinc/14/10/81/1078141081.db2.gz IWQOIPCZIJPLIU-LNLFQRSKSA-N 1 2 409.571 2.782 20 0 HFADLO CCON(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000793476374 1078187127 /nfs/dbraw/zinc/18/71/27/1078187127.db2.gz FKNOJSQNULXTGP-HNNXBMFYSA-N 1 2 417.291 2.849 20 0 HFADLO CCON(C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000793476374 1078187133 /nfs/dbraw/zinc/18/71/33/1078187133.db2.gz FKNOJSQNULXTGP-HNNXBMFYSA-N 1 2 417.291 2.849 20 0 HFADLO COCC[NH+]1CCN(C(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CC1 ZINC000793499072 1078203294 /nfs/dbraw/zinc/20/32/94/1078203294.db2.gz SOLUYXGAGGQNHT-UHFFFAOYSA-N 1 2 403.523 2.779 20 0 HFADLO C[C@]12CC[N@H+](CN3C(=O)C(=O)N(C45CC6CC(CC(C6)C4)C5)C3=O)C[C@H]1C2(F)F ZINC000793547511 1078208127 /nfs/dbraw/zinc/20/81/27/1078208127.db2.gz UYCRCQMUQHIKFV-REDNTKGTSA-N 1 2 407.461 2.681 20 0 HFADLO C[C@]12CC[N@@H+](CN3C(=O)C(=O)N(C45CC6CC(CC(C6)C4)C5)C3=O)C[C@H]1C2(F)F ZINC000793547511 1078208133 /nfs/dbraw/zinc/20/81/33/1078208133.db2.gz UYCRCQMUQHIKFV-REDNTKGTSA-N 1 2 407.461 2.681 20 0 HFADLO CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[NH+]2CCC(c3ccc(F)cc3C)CC2)C1=O ZINC000793548276 1078207805 /nfs/dbraw/zinc/20/78/05/1078207805.db2.gz VUYMHHKWOLBZMY-QFIPXVFZSA-N 1 2 413.497 2.862 20 0 HFADLO C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000793602495 1078221612 /nfs/dbraw/zinc/22/16/12/1078221612.db2.gz VKWLWJBOUFVALI-ZHRRBRCNSA-N 1 2 419.541 2.607 20 0 HFADLO C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000793602495 1078221617 /nfs/dbraw/zinc/22/16/17/1078221617.db2.gz VKWLWJBOUFVALI-ZHRRBRCNSA-N 1 2 419.541 2.607 20 0 HFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000793628878 1078232704 /nfs/dbraw/zinc/23/27/04/1078232704.db2.gz HAGJNUBGKRNPIS-GOSISDBHSA-N 1 2 424.545 2.516 20 0 HFADLO O=C(CC1OCCO1)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000793673272 1078249105 /nfs/dbraw/zinc/24/91/05/1078249105.db2.gz GRMJHCQGTAULLV-UHFFFAOYSA-N 1 2 410.514 2.700 20 0 HFADLO CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793710428 1078259856 /nfs/dbraw/zinc/25/98/56/1078259856.db2.gz SKWNKPICPPJUOF-GIMINZRKSA-N 1 2 420.554 2.776 20 0 HFADLO CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793710428 1078259861 /nfs/dbraw/zinc/25/98/61/1078259861.db2.gz SKWNKPICPPJUOF-GIMINZRKSA-N 1 2 420.554 2.776 20 0 HFADLO CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793710434 1078259996 /nfs/dbraw/zinc/25/99/96/1078259996.db2.gz SKWNKPICPPJUOF-ULYRPOKDSA-N 1 2 420.554 2.776 20 0 HFADLO CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793710434 1078260000 /nfs/dbraw/zinc/26/00/00/1078260000.db2.gz SKWNKPICPPJUOF-ULYRPOKDSA-N 1 2 420.554 2.776 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)NC4(CCCCC4)C3=O)CC[C@@H]21 ZINC000793712744 1078261404 /nfs/dbraw/zinc/26/14/04/1078261404.db2.gz YQZKQMUSNOWSKF-CVEARBPZSA-N 1 2 406.527 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)NC4(CCCCC4)C3=O)CC[C@@H]21 ZINC000793712744 1078261409 /nfs/dbraw/zinc/26/14/09/1078261409.db2.gz YQZKQMUSNOWSKF-CVEARBPZSA-N 1 2 406.527 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)NC4(CCCCCC4)C3=O)CC[C@@H]21 ZINC000793725538 1078267277 /nfs/dbraw/zinc/26/72/77/1078267277.db2.gz WNPLZAKCOMPYHS-SJORKVTESA-N 1 2 420.554 2.920 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)NC4(CCCCCC4)C3=O)CC[C@@H]21 ZINC000793725538 1078267283 /nfs/dbraw/zinc/26/72/83/1078267283.db2.gz WNPLZAKCOMPYHS-SJORKVTESA-N 1 2 420.554 2.920 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)N[C@@](C)(C(C)(C)C)C3=O)CC[C@H]21 ZINC000793704980 1078276108 /nfs/dbraw/zinc/27/61/08/1078276108.db2.gz KUWGACXVGAVZPK-VTJXTGGHSA-N 1 2 408.543 2.632 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)N[C@@](C)(C(C)(C)C)C3=O)CC[C@H]21 ZINC000793704980 1078276110 /nfs/dbraw/zinc/27/61/10/1078276110.db2.gz KUWGACXVGAVZPK-VTJXTGGHSA-N 1 2 408.543 2.632 20 0 HFADLO CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000793772391 1078307334 /nfs/dbraw/zinc/30/73/34/1078307334.db2.gz FRIAIAGBCKEPSS-IBGZPJMESA-N 1 2 421.582 2.879 20 0 HFADLO CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC000793772391 1078307338 /nfs/dbraw/zinc/30/73/38/1078307338.db2.gz FRIAIAGBCKEPSS-IBGZPJMESA-N 1 2 421.582 2.879 20 0 HFADLO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000793830961 1078320479 /nfs/dbraw/zinc/32/04/79/1078320479.db2.gz YYTCPPRUQGBKMF-CQSZACIVSA-N 1 2 414.531 2.785 20 0 HFADLO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000793830961 1078320482 /nfs/dbraw/zinc/32/04/82/1078320482.db2.gz YYTCPPRUQGBKMF-CQSZACIVSA-N 1 2 414.531 2.785 20 0 HFADLO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCn2cc(CNC(=O)C3CCC3)nc2C1 ZINC001170438831 1078324685 /nfs/dbraw/zinc/32/46/85/1078324685.db2.gz VXKHRYUPHCAHLX-IBGZPJMESA-N 1 2 410.518 2.865 20 0 HFADLO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCn2cc(CNC(=O)C3CCC3)nc2C1 ZINC001170438831 1078324691 /nfs/dbraw/zinc/32/46/91/1078324691.db2.gz VXKHRYUPHCAHLX-IBGZPJMESA-N 1 2 410.518 2.865 20 0 HFADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793969135 1078349227 /nfs/dbraw/zinc/34/92/27/1078349227.db2.gz AWFKEGIQVWYKCI-AWEZNQCLSA-N 1 2 419.551 2.964 20 0 HFADLO O=C(COc1cccc(Cl)c1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000794018640 1078361882 /nfs/dbraw/zinc/36/18/82/1078361882.db2.gz BCTHNBQFAVVZIB-UHFFFAOYSA-N 1 2 408.907 2.668 20 0 HFADLO CO[C@H](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000794343801 1078420917 /nfs/dbraw/zinc/42/09/17/1078420917.db2.gz DEUACRIFLPNDQO-CZUORRHYSA-N 1 2 416.303 2.797 20 0 HFADLO CO[C@H](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000794343801 1078420918 /nfs/dbraw/zinc/42/09/18/1078420918.db2.gz DEUACRIFLPNDQO-CZUORRHYSA-N 1 2 416.303 2.797 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000804436591 1078482021 /nfs/dbraw/zinc/48/20/21/1078482021.db2.gz QUKSTUUTYZZQDZ-UVBSCNOISA-N 1 2 412.317 2.808 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C ZINC000804438924 1078484199 /nfs/dbraw/zinc/48/41/99/1078484199.db2.gz BNBOJQPRCAEAID-KZNAEPCWSA-N 1 2 409.571 2.734 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 ZINC000804438984 1078484250 /nfs/dbraw/zinc/48/42/50/1078484250.db2.gz TVXDUVKSFHDYQC-PKOBYXMFSA-N 1 2 403.523 2.750 20 0 HFADLO O=C(c1cc(F)c(C(F)(F)F)cc1F)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000804444851 1078510664 /nfs/dbraw/zinc/51/06/64/1078510664.db2.gz IYSUYAHXJNSOAW-LBPRGKRZSA-N 1 2 408.367 2.547 20 0 HFADLO CN(C)C(=O)[C@@H]1CCN(C(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001129825634 1078519198 /nfs/dbraw/zinc/51/91/98/1078519198.db2.gz WDRSXHQEHZQIPG-WBVHZDCISA-N 1 2 408.340 2.523 20 0 HFADLO CCC[C@@H](NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccn1 ZINC000804701322 1078543133 /nfs/dbraw/zinc/54/31/33/1078543133.db2.gz FJZSHMGEBKRJOT-JOCHJYFZSA-N 1 2 423.561 2.890 20 0 HFADLO COc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c(OC2CCCC2)c1 ZINC001129554974 1078545450 /nfs/dbraw/zinc/54/54/50/1078545450.db2.gz DRNQFOMZFPHNNT-UHFFFAOYSA-N 1 2 418.534 2.628 20 0 HFADLO CN(C[C@@H]1C[C@H](F)CN1c1cc(N2CCCC[C@H]2CO)[nH+]cn1)C(=O)OC(C)(C)C ZINC000804704105 1078570526 /nfs/dbraw/zinc/57/05/26/1078570526.db2.gz DATDGXYDKUCXIP-ULQDDVLXSA-N 1 2 423.533 2.612 20 0 HFADLO CN(C[C@@H]1C[C@H](F)CN1c1cc(N2CCCC[C@H]2CO)nc[nH+]1)C(=O)OC(C)(C)C ZINC000804704105 1078570530 /nfs/dbraw/zinc/57/05/30/1078570530.db2.gz DATDGXYDKUCXIP-ULQDDVLXSA-N 1 2 423.533 2.612 20 0 HFADLO CC[C@H](C)CC[C@@H](O)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804762558 1078613940 /nfs/dbraw/zinc/61/39/40/1078613940.db2.gz JRSHKILEOAVSSU-IPMKNSEASA-N 1 2 411.587 2.717 20 0 HFADLO C[C@H](CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 ZINC000804762173 1078614447 /nfs/dbraw/zinc/61/44/47/1078614447.db2.gz QYNJGBRWPGLQFZ-MJGOQNOKSA-N 1 2 402.539 2.729 20 0 HFADLO COC(=O)Nc1cccc(CNC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000804606467 1078650441 /nfs/dbraw/zinc/65/04/41/1078650441.db2.gz OSBVBEFPMMOKCN-MRXNPFEDSA-N 1 2 414.481 2.831 20 0 HFADLO Cc1cc(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)nc(-c2cccnc2)n1 ZINC000804833897 1078676611 /nfs/dbraw/zinc/67/66/11/1078676611.db2.gz OQUTTZCODIAUIP-LJQANCHMSA-N 1 2 424.549 2.978 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3nccc(C(F)(F)F)n3)C2)CC1 ZINC000804835638 1078676993 /nfs/dbraw/zinc/67/69/93/1078676993.db2.gz ZSKRJIOUNKDNQL-CYBMUJFWSA-N 1 2 401.433 2.627 20 0 HFADLO Cc1nc(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc(C(F)(F)F)n1 ZINC000804835222 1078677597 /nfs/dbraw/zinc/67/75/97/1078677597.db2.gz QZYDFFFAJPPXKJ-CQSZACIVSA-N 1 2 415.460 2.935 20 0 HFADLO CC[C@@H](C(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000804876602 1078699708 /nfs/dbraw/zinc/69/97/08/1078699708.db2.gz IJXNZKFIENOIHN-ZCNNSNEGSA-N 1 2 409.571 2.926 20 0 HFADLO CC[C@@H](C(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000804876602 1078699716 /nfs/dbraw/zinc/69/97/16/1078699716.db2.gz IJXNZKFIENOIHN-ZCNNSNEGSA-N 1 2 409.571 2.926 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CCCc4occc43)C2)CC1 ZINC000804907078 1078730302 /nfs/dbraw/zinc/73/03/02/1078730302.db2.gz WBEIFPZEQHPOLI-WMZOPIPTSA-N 1 2 418.538 2.994 20 0 HFADLO COCCOCCOCCOCCNc1c(Br)c[nH+]c2ccccc21 ZINC001170474170 1078829585 /nfs/dbraw/zinc/82/95/85/1078829585.db2.gz URFJQDFIEXQWNW-UHFFFAOYSA-N 1 2 413.312 2.527 20 0 HFADLO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC001130042664 1078845153 /nfs/dbraw/zinc/84/51/53/1078845153.db2.gz DUKOGUICZYDCPJ-UHFFFAOYSA-N 1 2 403.548 2.978 20 0 HFADLO O=S(=O)(Oc1cccc(-n2cc[nH+]c2)c1)c1ccccc1S(=O)(=O)C(F)F ZINC000805010090 1078854989 /nfs/dbraw/zinc/85/49/89/1078854989.db2.gz UIBZPIMYLGIXMH-UHFFFAOYSA-N 1 2 414.411 2.636 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCCSC(C)(C)C)C2)CC1 ZINC000805054113 1078867863 /nfs/dbraw/zinc/86/78/63/1078867863.db2.gz HIYZNQSUQAAMKG-INIZCTEOSA-N 1 2 414.616 2.855 20 0 HFADLO CC(=O)OCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805056069 1078869914 /nfs/dbraw/zinc/86/99/14/1078869914.db2.gz LYMBYLNFQASBQM-QZTJIDSGSA-N 1 2 420.934 2.876 20 0 HFADLO CC(=O)OCCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805056069 1078869922 /nfs/dbraw/zinc/86/99/22/1078869922.db2.gz LYMBYLNFQASBQM-QZTJIDSGSA-N 1 2 420.934 2.876 20 0 HFADLO Cc1noc(C)c1[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805112628 1078897756 /nfs/dbraw/zinc/89/77/56/1078897756.db2.gz NMKAHPZFQLWNTN-WMLDXEAASA-N 1 2 421.542 2.689 20 0 HFADLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000805162561 1078925719 /nfs/dbraw/zinc/92/57/19/1078925719.db2.gz DRWKKWOHSGEEHA-ZQIUZPCESA-N 1 2 419.913 2.956 20 0 HFADLO COC(C)(C)C[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805153385 1078948838 /nfs/dbraw/zinc/94/88/38/1078948838.db2.gz MZVKIAQRAXFIKX-SJORKVTESA-N 1 2 412.575 2.527 20 0 HFADLO O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000805226634 1078972736 /nfs/dbraw/zinc/97/27/36/1078972736.db2.gz IOOJFGMWSONERH-MOPGFXCFSA-N 1 2 415.538 2.893 20 0 HFADLO CC(C)[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC000805253946 1078999178 /nfs/dbraw/zinc/99/91/78/1078999178.db2.gz RPWLBMAMKWAPJR-QRVBRYPASA-N 1 2 424.586 2.527 20 0 HFADLO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000747235171 1078999861 /nfs/dbraw/zinc/99/98/61/1078999861.db2.gz KUDXIXGCRKXJLY-ADYPVZHUSA-N 1 2 418.515 2.971 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NOCc1ccc(F)cc1Br ZINC000805319574 1079017878 /nfs/dbraw/zinc/01/78/78/1079017878.db2.gz VHMXCKVIAXOEIP-WFASDCNBSA-N 1 2 416.291 2.524 20 0 HFADLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC001170480161 1079047992 /nfs/dbraw/zinc/04/79/92/1079047992.db2.gz MKMZYWSJUZLEMP-OAQYLSRUSA-N 1 2 411.502 2.654 20 0 HFADLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC001170480161 1079047998 /nfs/dbraw/zinc/04/79/98/1079047998.db2.gz MKMZYWSJUZLEMP-OAQYLSRUSA-N 1 2 411.502 2.654 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000805469714 1079089017 /nfs/dbraw/zinc/08/90/17/1079089017.db2.gz OVTSDVSFPBSPIJ-IRXDYDNUSA-N 1 2 415.317 2.921 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000805469714 1079089025 /nfs/dbraw/zinc/08/90/25/1079089025.db2.gz OVTSDVSFPBSPIJ-IRXDYDNUSA-N 1 2 415.317 2.921 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000805473405 1079089571 /nfs/dbraw/zinc/08/95/71/1079089571.db2.gz UFZZAGAEGYCKCB-FPOVZHCZSA-N 1 2 416.905 2.810 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000805473405 1079089577 /nfs/dbraw/zinc/08/95/77/1079089577.db2.gz UFZZAGAEGYCKCB-FPOVZHCZSA-N 1 2 416.905 2.810 20 0 HFADLO CO[C@@H](C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1)[C@@H]1CCOC1 ZINC001130213362 1079089923 /nfs/dbraw/zinc/08/99/23/1079089923.db2.gz FEOYJXKCGCDCTH-RHSMWYFYSA-N 1 2 423.311 2.515 20 0 HFADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC=CO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805515923 1079114575 /nfs/dbraw/zinc/11/45/75/1079114575.db2.gz DUWFZRWXDPIZQL-AYOQOUSVSA-N 1 2 423.916 2.928 20 0 HFADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC=CO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805515923 1079114578 /nfs/dbraw/zinc/11/45/78/1079114578.db2.gz DUWFZRWXDPIZQL-AYOQOUSVSA-N 1 2 423.916 2.928 20 0 HFADLO CC(=O)c1cccc(OCc2cc(C(=O)NC[C@@H](C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)no2)c1 ZINC001130259936 1079149509 /nfs/dbraw/zinc/14/95/09/1079149509.db2.gz PNNFLQNVTRKDRU-OAGGEKHMSA-N 1 2 415.490 2.684 20 0 HFADLO CC(=O)c1cccc(OCc2cc(C(=O)NC[C@@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)no2)c1 ZINC001130259936 1079149514 /nfs/dbraw/zinc/14/95/14/1079149514.db2.gz PNNFLQNVTRKDRU-OAGGEKHMSA-N 1 2 415.490 2.684 20 0 HFADLO COc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C)c1OC ZINC000805589530 1079165179 /nfs/dbraw/zinc/16/51/79/1079165179.db2.gz MFFIPMQPLNZHBA-UHFFFAOYSA-N 1 2 418.515 2.575 20 0 HFADLO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000747265613 1079221581 /nfs/dbraw/zinc/22/15/81/1079221581.db2.gz ARMGORGVQFOUFC-LVMGUKCRSA-N 1 2 414.527 2.768 20 0 HFADLO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000747265613 1079221589 /nfs/dbraw/zinc/22/15/89/1079221589.db2.gz ARMGORGVQFOUFC-LVMGUKCRSA-N 1 2 414.527 2.768 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000805774266 1079247118 /nfs/dbraw/zinc/24/71/18/1079247118.db2.gz FSRHPNWOTLXQGK-QGZVFWFLSA-N 1 2 404.511 2.942 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000805774266 1079247127 /nfs/dbraw/zinc/24/71/27/1079247127.db2.gz FSRHPNWOTLXQGK-QGZVFWFLSA-N 1 2 404.511 2.942 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000805775585 1079247881 /nfs/dbraw/zinc/24/78/81/1079247881.db2.gz GUCNMAOHOYDPAO-KRWDZBQOSA-N 1 2 404.511 2.942 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000805775585 1079247886 /nfs/dbraw/zinc/24/78/86/1079247886.db2.gz GUCNMAOHOYDPAO-KRWDZBQOSA-N 1 2 404.511 2.942 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000805775159 1079248384 /nfs/dbraw/zinc/24/83/84/1079248384.db2.gz YKILIAMZANPBLO-MRXNPFEDSA-N 1 2 416.522 2.741 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000805775159 1079248386 /nfs/dbraw/zinc/24/83/86/1079248386.db2.gz YKILIAMZANPBLO-MRXNPFEDSA-N 1 2 416.522 2.741 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(=O)NCC(=O)c1ccccc1)C2 ZINC000805794344 1079259226 /nfs/dbraw/zinc/25/92/26/1079259226.db2.gz SHFUJAYEPMMVDM-QHCPKHFHSA-N 1 2 415.534 2.709 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NCC(=O)c1ccccc1)C2 ZINC000805794344 1079259232 /nfs/dbraw/zinc/25/92/32/1079259232.db2.gz SHFUJAYEPMMVDM-QHCPKHFHSA-N 1 2 415.534 2.709 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000805761138 1079262894 /nfs/dbraw/zinc/26/28/94/1079262894.db2.gz PVQJLVLNMHMORT-PZJWPPBQSA-N 1 2 416.566 2.572 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000805761138 1079262901 /nfs/dbraw/zinc/26/29/01/1079262901.db2.gz PVQJLVLNMHMORT-PZJWPPBQSA-N 1 2 416.566 2.572 20 0 HFADLO CC(=O)NCC[C@H]1CCC[N@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000805822692 1079293403 /nfs/dbraw/zinc/29/34/03/1079293403.db2.gz QMFXZAKMDHXWAH-OAHLLOKOSA-N 1 2 409.531 2.568 20 0 HFADLO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000805822692 1079293407 /nfs/dbraw/zinc/29/34/07/1079293407.db2.gz QMFXZAKMDHXWAH-OAHLLOKOSA-N 1 2 409.531 2.568 20 0 HFADLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787356018 1076794794 /nfs/dbraw/zinc/79/47/94/1076794794.db2.gz NGKCGURHGVRVBR-UONOGXRCSA-N 1 2 408.474 2.851 20 0 HFADLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787356018 1076794796 /nfs/dbraw/zinc/79/47/96/1076794796.db2.gz NGKCGURHGVRVBR-UONOGXRCSA-N 1 2 408.474 2.851 20 0 HFADLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000787358175 1076795977 /nfs/dbraw/zinc/79/59/77/1076795977.db2.gz WHTZPRJBZQNGDQ-QGZVFWFLSA-N 1 2 404.511 2.941 20 0 HFADLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000787358175 1076795979 /nfs/dbraw/zinc/79/59/79/1076795979.db2.gz WHTZPRJBZQNGDQ-QGZVFWFLSA-N 1 2 404.511 2.941 20 0 HFADLO Cc1n[nH]c(C)c1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787534205 1076851277 /nfs/dbraw/zinc/85/12/77/1076851277.db2.gz UJEFSJYHIQDXKF-UHFFFAOYSA-N 1 2 406.328 2.722 20 0 HFADLO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCc3cc[nH+]c(N)c3)c2)C1 ZINC000787593983 1076863737 /nfs/dbraw/zinc/86/37/37/1076863737.db2.gz YPPJHIPXSADJBW-GJZGRUSLSA-N 1 2 403.504 2.687 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3cncc(O)c3)cc2Br)CC1 ZINC000787673922 1076889789 /nfs/dbraw/zinc/88/97/89/1076889789.db2.gz YYNBDOJKBQOEBQ-GORDUTHDSA-N 1 2 417.307 2.953 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(O)cc3)cc2Br)CC1 ZINC000787675554 1076890540 /nfs/dbraw/zinc/89/05/40/1076890540.db2.gz QWFNBDJZOSRKRR-UHFFFAOYSA-N 1 2 420.307 2.924 20 0 HFADLO C[N@H+](Cc1nc2ccsc2c(=O)[nH]1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787729389 1076932943 /nfs/dbraw/zinc/93/29/43/1076932943.db2.gz IYXBZDZVDXTHOZ-BFUOFWGJSA-N 1 2 408.524 2.589 20 0 HFADLO C[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787729389 1076932944 /nfs/dbraw/zinc/93/29/44/1076932944.db2.gz IYXBZDZVDXTHOZ-BFUOFWGJSA-N 1 2 408.524 2.589 20 0 HFADLO C[C@@H](C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000787846488 1076962449 /nfs/dbraw/zinc/96/24/49/1076962449.db2.gz YILIZHGXSJCISN-XOBRGWDASA-N 1 2 423.891 2.979 20 0 HFADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000788002681 1077024928 /nfs/dbraw/zinc/02/49/28/1077024928.db2.gz HDVDYXQUBXSYLH-QGZVFWFLSA-N 1 2 405.539 2.982 20 0 HFADLO CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000788004643 1077025969 /nfs/dbraw/zinc/02/59/69/1077025969.db2.gz XLOQVSPKQMTNBV-MRXNPFEDSA-N 1 2 421.538 2.764 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1sc(-c2cccc(Cl)c2)nc1C ZINC000788155516 1077070477 /nfs/dbraw/zinc/07/04/77/1077070477.db2.gz SGCQHDHURNDEBQ-CQSZACIVSA-N 1 2 404.879 2.940 20 0 HFADLO COC(=O)N1CCN(c2cc[nH+]cc2NS(=O)(=O)Cc2cc(C)cc(C)c2)CC1 ZINC000788204811 1077078900 /nfs/dbraw/zinc/07/89/00/1077078900.db2.gz BSJVVASFGSITGR-UHFFFAOYSA-N 1 2 418.519 2.529 20 0 HFADLO O=C1C(=O)N(C2CCCC2)C(=O)N1C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788373172 1077132376 /nfs/dbraw/zinc/13/23/76/1077132376.db2.gz PWPWOXJYWCRZSS-UHFFFAOYSA-N 1 2 420.897 2.517 20 0 HFADLO CCOC(=O)c1ccc2c(c1)n(CN1CC[C@@H](Oc3cc[nH+]cc3)C1)c(=O)n2CC ZINC000788381135 1077135693 /nfs/dbraw/zinc/13/56/93/1077135693.db2.gz VGDPJSVPGJUUIE-GOSISDBHSA-N 1 2 410.474 2.505 20 0 HFADLO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1CN1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788380425 1077136126 /nfs/dbraw/zinc/13/61/26/1077136126.db2.gz WAAZPVZLJSKAFN-APWZRJJASA-N 1 2 420.391 2.502 20 0 HFADLO O=C1C[C@@]2(CC[N@H+](Cn3nc(N4CCCCC4)n(-c4ccccc4)c3=S)C2)CN1 ZINC000788383988 1077137816 /nfs/dbraw/zinc/13/78/16/1077137816.db2.gz VFXUCHSGIWOCKH-NRFANRHFSA-N 1 2 412.563 2.563 20 0 HFADLO O=C1C[C@@]2(CC[N@@H+](Cn3nc(N4CCCCC4)n(-c4ccccc4)c3=S)C2)CN1 ZINC000788383988 1077137820 /nfs/dbraw/zinc/13/78/20/1077137820.db2.gz VFXUCHSGIWOCKH-NRFANRHFSA-N 1 2 412.563 2.563 20 0 HFADLO O[C@@H](Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1)c1ccc(Cl)c(F)c1 ZINC000788426030 1077142427 /nfs/dbraw/zinc/14/24/27/1077142427.db2.gz NFVJFVICBRRSHS-RBUKOAKNSA-N 1 2 417.872 2.773 20 0 HFADLO O[C@@H](Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)c1ccc(Cl)c(F)c1 ZINC000788426030 1077142430 /nfs/dbraw/zinc/14/24/30/1077142430.db2.gz NFVJFVICBRRSHS-RBUKOAKNSA-N 1 2 417.872 2.773 20 0 HFADLO O=S1(=O)CCN(C2CC[NH+](Cc3ccc(SC(F)(F)F)cc3)CC2)CC1 ZINC000788432828 1077145144 /nfs/dbraw/zinc/14/51/44/1077145144.db2.gz DZXBSLXXORWMCX-UHFFFAOYSA-N 1 2 408.511 2.993 20 0 HFADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788472584 1077171142 /nfs/dbraw/zinc/17/11/42/1077171142.db2.gz QWJAUIAIBODMIK-QFIPXVFZSA-N 1 2 422.533 2.905 20 0 HFADLO COc1cc(Br)cc(C)c1NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000788543128 1077194692 /nfs/dbraw/zinc/19/46/92/1077194692.db2.gz XBDIASVOQNJQHV-ZDUSSCGKSA-N 1 2 400.317 2.951 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)NCc2[nH+]cc(C)c(OC)c2C)c(C)c1Cl ZINC000788611206 1077207256 /nfs/dbraw/zinc/20/72/56/1077207256.db2.gz OMBCWMRAGSNMBR-UHFFFAOYSA-N 1 2 418.924 2.995 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000788603062 1077220359 /nfs/dbraw/zinc/22/03/59/1077220359.db2.gz DYWMAGVOIFYFPE-CQSZACIVSA-N 1 2 400.262 2.707 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)c1C ZINC000746755501 1077258319 /nfs/dbraw/zinc/25/83/19/1077258319.db2.gz QXJDZAKJBQEPBX-UHFFFAOYSA-N 1 2 424.545 2.988 20 0 HFADLO O=C(NC1CC[NH+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1)C1CCCCC1 ZINC000788769600 1077283609 /nfs/dbraw/zinc/28/36/09/1077283609.db2.gz CLOSLNWSYOQNNJ-FQEVSTJZSA-N 1 2 411.546 2.723 20 0 HFADLO CCO[C@H]1C[C@@](O)(CNC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1(C)C ZINC000788801273 1077292342 /nfs/dbraw/zinc/29/23/42/1077292342.db2.gz PIHNKBCFRPTZIH-NZQKXSOJSA-N 1 2 418.582 2.587 20 0 HFADLO O=C(c1cn(-c2ccccc2Br)nn1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788832705 1077314588 /nfs/dbraw/zinc/31/45/88/1077314588.db2.gz ONZVNLDQCIZVFE-CQSZACIVSA-N 1 2 414.263 2.718 20 0 HFADLO O=C(OCc1ccccc1)N1CC[C@](F)(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000788835113 1077315068 /nfs/dbraw/zinc/31/50/68/1077315068.db2.gz RCXLRTPQGZXTSU-DENIHFKCSA-N 1 2 413.449 2.812 20 0 HFADLO NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000788836520 1077315399 /nfs/dbraw/zinc/31/53/99/1077315399.db2.gz FWWBDGUJNSDGMA-UHFFFAOYSA-N 1 2 422.938 2.540 20 0 HFADLO O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788838015 1077315847 /nfs/dbraw/zinc/31/58/47/1077315847.db2.gz ZIZGZCRLXDYVEA-UHFFFAOYSA-N 1 2 408.424 2.806 20 0 HFADLO C[C@@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746985750 1077319222 /nfs/dbraw/zinc/31/92/22/1077319222.db2.gz IKYGILSTAJXMFN-UKRRQHHQSA-N 1 2 404.413 2.606 20 0 HFADLO C[C@@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000746985750 1077319228 /nfs/dbraw/zinc/31/92/28/1077319228.db2.gz IKYGILSTAJXMFN-UKRRQHHQSA-N 1 2 404.413 2.606 20 0 HFADLO CC(C)[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H](O)c1ccccc1 ZINC000788850107 1077319579 /nfs/dbraw/zinc/31/95/79/1077319579.db2.gz XFBDNQPXFXFBTL-VABKMULXSA-N 1 2 411.546 2.945 20 0 HFADLO CC(C)[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H](O)c1ccccc1 ZINC000788850107 1077319585 /nfs/dbraw/zinc/31/95/85/1077319585.db2.gz XFBDNQPXFXFBTL-VABKMULXSA-N 1 2 411.546 2.945 20 0 HFADLO O=C(CCc1nc(-c2ncccn2)no1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791270639 1077354683 /nfs/dbraw/zinc/35/46/83/1077354683.db2.gz FWARZMYBBCDTJD-HNNXBMFYSA-N 1 2 421.505 2.904 20 0 HFADLO O=C(CCc1nc(-c2ncccn2)no1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791270639 1077354689 /nfs/dbraw/zinc/35/46/89/1077354689.db2.gz FWARZMYBBCDTJD-HNNXBMFYSA-N 1 2 421.505 2.904 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000791293169 1077358934 /nfs/dbraw/zinc/35/89/34/1077358934.db2.gz VHFFWUCQHDOOQT-OPAMFIHVSA-N 1 2 410.474 2.725 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CCC[C@@H]3CNC(=O)OC(C)(C)C)[nH+]c12 ZINC000746776489 1077366612 /nfs/dbraw/zinc/36/66/12/1077366612.db2.gz UTVIVRAWPHZBPH-QGZVFWFLSA-N 1 2 401.511 2.884 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CCC(NC(=O)OC(C)(C)C)CC3)[nH+]c12 ZINC000746776604 1077366649 /nfs/dbraw/zinc/36/66/49/1077366649.db2.gz HHKXHAXKCACVFF-UHFFFAOYSA-N 1 2 401.511 2.884 20 0 HFADLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc3c2cccc3N(C)C)C1 ZINC000791420873 1077395169 /nfs/dbraw/zinc/39/51/69/1077395169.db2.gz URGLUIKQYHPQQX-KRWDZBQOSA-N 1 2 405.564 2.541 20 0 HFADLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc3c2cccc3N(C)C)C1 ZINC000791420873 1077395176 /nfs/dbraw/zinc/39/51/76/1077395176.db2.gz URGLUIKQYHPQQX-KRWDZBQOSA-N 1 2 405.564 2.541 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O ZINC000791428101 1077416937 /nfs/dbraw/zinc/41/69/37/1077416937.db2.gz FZRBIRAXNBJSBM-HOTGVXAUSA-N 1 2 424.501 2.971 20 0 HFADLO O=C(Nc1ccc(-c2ccccc2)cc1F)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000746789188 1077439168 /nfs/dbraw/zinc/43/91/68/1077439168.db2.gz KPUIWZJDKCBLRF-LJQANCHMSA-N 1 2 411.477 2.754 20 0 HFADLO COc1cc(OC)cc(N2CCC[N@H+](CCS(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000791472580 1077444987 /nfs/dbraw/zinc/44/49/87/1077444987.db2.gz KSJOZJPOWKXYSO-UHFFFAOYSA-N 1 2 418.559 2.831 20 0 HFADLO COc1cc(OC)cc(N2CCC[N@@H+](CCS(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000791472580 1077444989 /nfs/dbraw/zinc/44/49/89/1077444989.db2.gz KSJOZJPOWKXYSO-UHFFFAOYSA-N 1 2 418.559 2.831 20 0 HFADLO O=C(C[NH+]1CCC(NC(=S)NCCc2ccc(F)cc2)CC1)Nc1ccccc1 ZINC000789177311 1077445570 /nfs/dbraw/zinc/44/55/70/1077445570.db2.gz WQJVJHNRGKZREV-UHFFFAOYSA-N 1 2 414.550 2.935 20 0 HFADLO Fc1ccc(CCNC(=S)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000789239111 1077466614 /nfs/dbraw/zinc/46/66/14/1077466614.db2.gz OXSZGTMMWORGSO-OAQYLSRUSA-N 1 2 401.551 2.776 20 0 HFADLO O=C(COC(=O)[C@@H]1CCCc2c(O)cccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000789244648 1077469386 /nfs/dbraw/zinc/46/93/86/1077469386.db2.gz JKTVGPBSKIHWPL-LJQANCHMSA-N 1 2 414.527 2.761 20 0 HFADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789246793 1077470573 /nfs/dbraw/zinc/47/05/73/1077470573.db2.gz XFPNPYHOCKHWND-CGTJXYLNSA-N 1 2 404.511 2.890 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)C1=O ZINC000789426229 1077556884 /nfs/dbraw/zinc/55/68/84/1077556884.db2.gz SVBJRPSTNMDJSJ-QFIPXVFZSA-N 1 2 406.571 2.660 20 0 HFADLO CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N(C[N@@H+]1CC[C@@]3(C)[C@@H](C1)C3(Cl)Cl)C2 ZINC000789476808 1077569102 /nfs/dbraw/zinc/56/91/02/1077569102.db2.gz FNHBDOMEOFVBLE-DYVFJYSZSA-N 1 2 418.365 2.929 20 0 HFADLO CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N(C[N@H+]1CC[C@@]3(C)[C@@H](C1)C3(Cl)Cl)C2 ZINC000789476808 1077569105 /nfs/dbraw/zinc/56/91/05/1077569105.db2.gz FNHBDOMEOFVBLE-DYVFJYSZSA-N 1 2 418.365 2.929 20 0 HFADLO CC[C@H]1CCc2nc(NC(=O)C(=O)NCc3[nH+]cc(C)c(OC)c3C)sc2C1 ZINC000789432964 1077569799 /nfs/dbraw/zinc/56/97/99/1077569799.db2.gz NGOHZMJTCZHUDY-ZDUSSCGKSA-N 1 2 402.520 2.933 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)C1=O ZINC000789440023 1077573052 /nfs/dbraw/zinc/57/30/52/1077573052.db2.gz FRRVRRAWSAIOIS-HTAPYJJXSA-N 1 2 407.555 2.598 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)C1=O ZINC000789440024 1077573106 /nfs/dbraw/zinc/57/31/06/1077573106.db2.gz FRRVRRAWSAIOIS-JTSKRJEESA-N 1 2 407.555 2.598 20 0 HFADLO Cc1csc([C@](O)(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C(F)(F)F)n1 ZINC000746823551 1077594657 /nfs/dbraw/zinc/59/46/57/1077594657.db2.gz OZOAVCIIJFQIFC-QGZVFWFLSA-N 1 2 414.453 2.903 20 0 HFADLO O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1C[NH+]1CCC2(CCOCC2)CC1 ZINC000789531926 1077626855 /nfs/dbraw/zinc/62/68/55/1077626855.db2.gz ROSNBQNVRFKMKV-LJQANCHMSA-N 1 2 411.424 2.846 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)[nH+]1 ZINC000789600374 1077703921 /nfs/dbraw/zinc/70/39/21/1077703921.db2.gz AIOOYROZEMTOCM-UHFFFAOYSA-N 1 2 424.848 2.595 20 0 HFADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000789757463 1077762832 /nfs/dbraw/zinc/76/28/32/1077762832.db2.gz WNWNBFGRFMZTPT-QGZVFWFLSA-N 1 2 412.509 2.893 20 0 HFADLO C[C@@H](CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000792263459 1077785847 /nfs/dbraw/zinc/78/58/47/1077785847.db2.gz YYEXYTTWZBKBIE-MZEUMTGBSA-N 1 2 402.539 2.940 20 0 HFADLO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000746853059 1077786588 /nfs/dbraw/zinc/78/65/88/1077786588.db2.gz SBXDLVFZJOLGTF-ICSRJNTNSA-N 1 2 419.566 2.549 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccc(-c3ccccc3)cc2F)C[C@H](C)O1 ZINC000789795549 1077801138 /nfs/dbraw/zinc/80/11/38/1077801138.db2.gz BWINBRNEZQJLEL-CALCHBBNSA-N 1 2 413.493 2.999 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccc(-c3ccccc3)cc2F)C[C@H](C)O1 ZINC000789795549 1077801151 /nfs/dbraw/zinc/80/11/51/1077801151.db2.gz BWINBRNEZQJLEL-CALCHBBNSA-N 1 2 413.493 2.999 20 0 HFADLO CO[C@@H]1Cc2ccc(NC(=O)C(=O)N3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2C1 ZINC000789798050 1077803328 /nfs/dbraw/zinc/80/33/28/1077803328.db2.gz XXOSAFZSHKAWEC-OAQYLSRUSA-N 1 2 422.529 2.678 20 0 HFADLO CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000792336599 1077825275 /nfs/dbraw/zinc/82/52/75/1077825275.db2.gz DQXYZGUATITCEG-SJORKVTESA-N 1 2 402.470 2.762 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@H](C(C)C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2=O)c(C)c1 ZINC000789894382 1077852547 /nfs/dbraw/zinc/85/25/47/1077852547.db2.gz IUUBOUKYTRXTEU-WOZUAGRISA-N 1 2 415.578 2.967 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@H](C(C)C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2=O)c(C)c1 ZINC000789894382 1077852553 /nfs/dbraw/zinc/85/25/53/1077852553.db2.gz IUUBOUKYTRXTEU-WOZUAGRISA-N 1 2 415.578 2.967 20 0 HFADLO CN(C[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1)C(=O)OC(C)(C)C ZINC000789963636 1077872249 /nfs/dbraw/zinc/87/22/49/1077872249.db2.gz NNIRRDKHAJVTDZ-PKOBYXMFSA-N 1 2 409.571 2.735 20 0 HFADLO CN(C[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1)C(=O)OC(C)(C)C ZINC000789963636 1077872258 /nfs/dbraw/zinc/87/22/58/1077872258.db2.gz NNIRRDKHAJVTDZ-PKOBYXMFSA-N 1 2 409.571 2.735 20 0 HFADLO CC[C@@H](C)n1ncc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1C ZINC000792480338 1077876244 /nfs/dbraw/zinc/87/62/44/1077876244.db2.gz AHWPTSSZKIXAJG-GDBMZVCRSA-N 1 2 408.547 2.835 20 0 HFADLO CC[C@@H](C)n1ncc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1C ZINC000792480338 1077876248 /nfs/dbraw/zinc/87/62/48/1077876248.db2.gz AHWPTSSZKIXAJG-GDBMZVCRSA-N 1 2 408.547 2.835 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cs1 ZINC000789994513 1077894062 /nfs/dbraw/zinc/89/40/62/1077894062.db2.gz PUSJYEDXHFWOOX-AWEZNQCLSA-N 1 2 417.535 2.614 20 0 HFADLO Cn1cc(-c2cc(CNc3ccc(I)c(N)[nH+]3)ccn2)cn1 ZINC001170124039 1077898262 /nfs/dbraw/zinc/89/82/62/1077898262.db2.gz BJAQUEQODADRQP-UHFFFAOYSA-N 1 2 406.231 2.676 20 0 HFADLO CCC[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](O)c1ccccc1 ZINC000792567716 1077907049 /nfs/dbraw/zinc/90/70/49/1077907049.db2.gz BMBDHWGVEAZLOP-RDPSFJRHSA-N 1 2 424.545 2.529 20 0 HFADLO Nc1[nH+]ccc2c1CN(C(=O)[C@@H]1CCN(c3cc(Cl)ccc3Cl)C1=O)CC2 ZINC001170258568 1077920374 /nfs/dbraw/zinc/92/03/74/1077920374.db2.gz QHKZYGSOHPDCQI-ZDUSSCGKSA-N 1 2 405.285 2.908 20 0 HFADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](CC(=O)Nc2cnccn2)CC1 ZINC001170300656 1077931711 /nfs/dbraw/zinc/93/17/11/1077931711.db2.gz VHMMJVZUIMERPL-GOSISDBHSA-N 1 2 403.527 2.773 20 0 HFADLO CNS(=O)(=O)c1cc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)ccc1OC ZINC000746880103 1077949154 /nfs/dbraw/zinc/94/91/54/1077949154.db2.gz WEUJUYAZHCHVTI-UHFFFAOYSA-N 1 2 414.487 2.863 20 0 HFADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790130665 1077951964 /nfs/dbraw/zinc/95/19/64/1077951964.db2.gz BTQMKPWXBUBKFD-AWEZNQCLSA-N 1 2 408.905 2.825 20 0 HFADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)c2)[nH+]c1C ZINC000746882575 1077957955 /nfs/dbraw/zinc/95/79/55/1077957955.db2.gz CHZUULZGIXVBCN-UHFFFAOYSA-N 1 2 403.442 2.998 20 0 HFADLO C[C@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1nnnn1C1CC1 ZINC000790154894 1077960248 /nfs/dbraw/zinc/96/02/48/1077960248.db2.gz YWQBXACOJFMBGZ-LRDDRELGSA-N 1 2 421.908 2.998 20 0 HFADLO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000790155770 1077960452 /nfs/dbraw/zinc/96/04/52/1077960452.db2.gz TZQNWDWXCPFDCL-DJIMGWMZSA-N 1 2 405.495 2.822 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cccnc3SC(F)(F)F)cc2C1 ZINC000790157835 1077961215 /nfs/dbraw/zinc/96/12/15/1077961215.db2.gz MNUAYTUCSCMYPY-UHFFFAOYSA-N 1 2 410.421 2.789 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cccnc3SC(F)(F)F)cc2C1 ZINC000790157835 1077961217 /nfs/dbraw/zinc/96/12/17/1077961217.db2.gz MNUAYTUCSCMYPY-UHFFFAOYSA-N 1 2 410.421 2.789 20 0 HFADLO O=C(N/C(=C/c1cccnc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000790152407 1077965760 /nfs/dbraw/zinc/96/57/60/1077965760.db2.gz CSSYENAJSTVTMZ-ODAUKNCYSA-N 1 2 414.465 2.927 20 0 HFADLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)c2cc(Br)ccc2n1 ZINC001170130509 1077975996 /nfs/dbraw/zinc/97/59/96/1077975996.db2.gz OULOMEIYKPRCAS-KRWDZBQOSA-N 1 2 400.280 2.816 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790253590 1077977762 /nfs/dbraw/zinc/97/77/62/1077977762.db2.gz IZRBCIFCIBGKOM-HXUWFJFHSA-N 1 2 407.449 2.612 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1[C@H]1CCN(C2CCOCC2)C1=O ZINC000790319415 1077996587 /nfs/dbraw/zinc/99/65/87/1077996587.db2.gz NZWABAKZDBMWFL-TZYHBYERSA-N 1 2 414.594 2.702 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1[C@H]1CCN(C2CCOCC2)C1=O ZINC000790319415 1077996591 /nfs/dbraw/zinc/99/65/91/1077996591.db2.gz NZWABAKZDBMWFL-TZYHBYERSA-N 1 2 414.594 2.702 20 0 HFADLO COc1cc(Cl)c(S(=O)(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1OC ZINC000790353946 1078002336 /nfs/dbraw/zinc/00/23/36/1078002336.db2.gz APYFDCMDXUFKMF-UHFFFAOYSA-N 1 2 400.884 2.856 20 0 HFADLO C[C@H](NC(=O)CNC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)c1ccc(F)cc1 ZINC000792910553 1078021712 /nfs/dbraw/zinc/02/17/12/1078021712.db2.gz DXOHEZPDOQOFQB-XLWVJDPXSA-N 1 2 416.324 2.635 20 0 HFADLO C[C@H](NC(=O)CNC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)c1ccc(F)cc1 ZINC000792910553 1078021718 /nfs/dbraw/zinc/02/17/18/1078021718.db2.gz DXOHEZPDOQOFQB-XLWVJDPXSA-N 1 2 416.324 2.635 20 0 HFADLO CCOC(=O)C1C(C[NH+]2CCC(c3c[nH]nc3C)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000792927055 1078027438 /nfs/dbraw/zinc/02/74/38/1078027438.db2.gz QYCBHUIUXVRZPE-NRFANRHFSA-N 1 2 423.517 2.769 20 0 HFADLO COc1ccc(CN(CCc2ccccn2)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000792954825 1078035055 /nfs/dbraw/zinc/03/50/55/1078035055.db2.gz BTBJJXUVXHJPJT-LJQANCHMSA-N 1 2 412.534 2.565 20 0 HFADLO COc1ccc(CN(CCc2ccccn2)C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000792954825 1078035060 /nfs/dbraw/zinc/03/50/60/1078035060.db2.gz BTBJJXUVXHJPJT-LJQANCHMSA-N 1 2 412.534 2.565 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000790474276 1078039723 /nfs/dbraw/zinc/03/97/23/1078039723.db2.gz RXGABTKTIMHSEA-QXKQMHMISA-N 1 2 423.443 2.621 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2nnnn2C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000790474276 1078039727 /nfs/dbraw/zinc/03/97/27/1078039727.db2.gz RXGABTKTIMHSEA-QXKQMHMISA-N 1 2 423.443 2.621 20 0 HFADLO COC(=O)N1CCC(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000806261703 1079527278 /nfs/dbraw/zinc/52/72/78/1079527278.db2.gz NPBIMSLBDRMICI-UHFFFAOYSA-N 1 2 401.467 2.562 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NC[C@@H]3CC3(Cl)Cl)CC2)C1 ZINC000806314304 1079566542 /nfs/dbraw/zinc/56/65/42/1079566542.db2.gz UAHJJTLLZVEQCV-UONOGXRCSA-N 1 2 421.369 2.517 20 0 HFADLO COc1cccc(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000806289001 1079573801 /nfs/dbraw/zinc/57/38/01/1079573801.db2.gz BLOSNSNBUHBFDD-GOSISDBHSA-N 1 2 418.538 2.532 20 0 HFADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-c2ccccc2OC(F)(F)F)nc1 ZINC001158005676 1079588650 /nfs/dbraw/zinc/58/86/50/1079588650.db2.gz BEBKZMYRWPWKRE-INIZCTEOSA-N 1 2 423.391 2.624 20 0 HFADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000806356685 1079644955 /nfs/dbraw/zinc/64/49/55/1079644955.db2.gz BGVWJBWFIUJPAO-RDJZCZTQSA-N 1 2 419.526 2.746 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000806358511 1079646749 /nfs/dbraw/zinc/64/67/49/1079646749.db2.gz QKDNEHJFBOSRIX-QGZVFWFLSA-N 1 2 419.526 2.701 20 0 HFADLO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC000806368810 1079655154 /nfs/dbraw/zinc/65/51/54/1079655154.db2.gz HXYSLKZOXHCRDP-MRXNPFEDSA-N 1 2 408.568 2.893 20 0 HFADLO C[C@H](Cc1ccco1)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806406229 1079693513 /nfs/dbraw/zinc/69/35/13/1079693513.db2.gz VKWPCKOBYWECGQ-SJORKVTESA-N 1 2 406.527 2.547 20 0 HFADLO CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[C@@H]2CCCC[C@@H]21 ZINC001130633541 1079719403 /nfs/dbraw/zinc/71/94/03/1079719403.db2.gz SUHLZDPYPGFNLI-YRPNKDGESA-N 1 2 421.582 2.878 20 0 HFADLO CC(C)c1nn(C)cc1NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806506169 1079756210 /nfs/dbraw/zinc/75/62/10/1079756210.db2.gz LVBLUCHZJITWJM-INIZCTEOSA-N 1 2 420.558 2.702 20 0 HFADLO Cc1ccc(C2=CCN(C(=O)C(=O)NCCc3cn4cccc(C)c4[nH+]3)CC2)cc1 ZINC000806538083 1079775068 /nfs/dbraw/zinc/77/50/68/1079775068.db2.gz VKKFCGUBXGQEAW-UHFFFAOYSA-N 1 2 402.498 2.926 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000806522226 1079799456 /nfs/dbraw/zinc/79/94/56/1079799456.db2.gz BFEAXUKYSBIVFR-CDXJDZJCSA-N 1 2 411.550 2.654 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000806522226 1079799461 /nfs/dbraw/zinc/79/94/61/1079799461.db2.gz BFEAXUKYSBIVFR-CDXJDZJCSA-N 1 2 411.550 2.654 20 0 HFADLO C[C@@]1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC(c2ccccc2Cl)=NO1 ZINC000806554122 1079818015 /nfs/dbraw/zinc/81/80/15/1079818015.db2.gz KRJXDKRAQZJRBA-VQTJNVASSA-N 1 2 423.966 2.547 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000806603886 1079846113 /nfs/dbraw/zinc/84/61/13/1079846113.db2.gz AQYQYNHHQIEAMN-WMZOPIPTSA-N 1 2 421.328 2.609 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000806603886 1079846123 /nfs/dbraw/zinc/84/61/23/1079846123.db2.gz AQYQYNHHQIEAMN-WMZOPIPTSA-N 1 2 421.328 2.609 20 0 HFADLO C[C@H]([C@H](C)NC(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000806741814 1079997076 /nfs/dbraw/zinc/99/70/76/1079997076.db2.gz RLGBCSUWNNCPHG-WCIQWLHISA-N 1 2 424.586 2.528 20 0 HFADLO CSc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000806784534 1080008188 /nfs/dbraw/zinc/00/81/88/1080008188.db2.gz RYCZUCLVEKTMSM-OAHLLOKOSA-N 1 2 421.567 2.962 20 0 HFADLO CC(C)c1cc(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)on1 ZINC000806810634 1080023917 /nfs/dbraw/zinc/02/39/17/1080023917.db2.gz YHKGOEKMTFBDQS-MRXNPFEDSA-N 1 2 421.542 2.635 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCc3nccc(C(F)F)n3)CC2)cc1 ZINC000806870989 1080072530 /nfs/dbraw/zinc/07/25/30/1080072530.db2.gz WBUQPJRGNUUUJP-UHFFFAOYSA-N 1 2 404.465 2.948 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCC(C3CC3)C3CC3)CC2)C1 ZINC000806879983 1080078846 /nfs/dbraw/zinc/07/88/46/1080078846.db2.gz MFFFOPGUFHXCFX-SFHVURJKSA-N 1 2 406.571 2.759 20 0 HFADLO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000806881469 1080079330 /nfs/dbraw/zinc/07/93/30/1080079330.db2.gz NWSFBIOMMPLUTB-KXBFYZLASA-N 1 2 424.423 2.841 20 0 HFADLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCCC1CCC1 ZINC000807040231 1080200356 /nfs/dbraw/zinc/20/03/56/1080200356.db2.gz OJWQSXGIAPGQOT-DYESRHJHSA-N 1 2 400.567 2.755 20 0 HFADLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCCC1CCC1 ZINC000807040231 1080200365 /nfs/dbraw/zinc/20/03/65/1080200365.db2.gz OJWQSXGIAPGQOT-DYESRHJHSA-N 1 2 400.567 2.755 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC3CCC(F)(F)CC3)CC2)C1 ZINC000807038100 1080228989 /nfs/dbraw/zinc/22/89/89/1080228989.db2.gz JNXJTCCXRYUGAO-INIZCTEOSA-N 1 2 416.513 2.901 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1ccccc1Cc1ccccc1 ZINC000807281033 1080439108 /nfs/dbraw/zinc/43/91/08/1080439108.db2.gz QDLCLZIFCGVYMH-XLIONFOSSA-N 1 2 407.470 2.599 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000807281697 1080441033 /nfs/dbraw/zinc/44/10/33/1080441033.db2.gz VOTCQGBCSONNIP-GFCCVEGCSA-N 1 2 420.185 2.636 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000807281805 1080441547 /nfs/dbraw/zinc/44/15/47/1080441547.db2.gz WYYVPBLNSGGMMZ-ZDUSSCGKSA-N 1 2 424.404 2.997 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCCc1ccc(Br)cc1 ZINC000807284772 1080444396 /nfs/dbraw/zinc/44/43/96/1080444396.db2.gz URTYBDZTCOTLGZ-MRXNPFEDSA-N 1 2 408.296 2.716 20 0 HFADLO C[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1)Cn1cc[nH+]c1 ZINC000747400110 1080635477 /nfs/dbraw/zinc/63/54/77/1080635477.db2.gz GBXRTTRMZXETSV-QFBILLFUSA-N 1 2 411.506 2.612 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1C ZINC000747402718 1080767607 /nfs/dbraw/zinc/76/76/07/1080767607.db2.gz DPKOVNWHJZYEAE-UHFFFAOYSA-N 1 2 412.490 2.871 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000807526411 1080778217 /nfs/dbraw/zinc/77/82/17/1080778217.db2.gz HCSSCHWDRLUDKQ-KRWDZBQOSA-N 1 2 418.538 2.562 20 0 HFADLO O=C(N/C(=C\c1ccco1)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000004648907 132280783 /nfs/dbraw/zinc/28/07/83/132280783.db2.gz YVMUHKVRSKAADW-JZJYNLBNSA-N 1 2 402.454 2.794 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4ccc(Cl)cc4n3)CC2)C1=O ZINC001164638205 719277290 /nfs/dbraw/zinc/27/72/90/719277290.db2.gz DOCJAHPFIYDILQ-UHFFFAOYSA-N 1 2 402.926 2.648 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4ccc(Cl)cc4n3)CC2)C1=O ZINC001164638205 719277292 /nfs/dbraw/zinc/27/72/92/719277292.db2.gz DOCJAHPFIYDILQ-UHFFFAOYSA-N 1 2 402.926 2.648 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4c(C)ccc(F)c4cc3C)CC2)C1=O ZINC001164639930 719277296 /nfs/dbraw/zinc/27/72/96/719277296.db2.gz MBOQDYVITFHYEJ-UHFFFAOYSA-N 1 2 414.525 2.750 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4c(C)ccc(F)c4cc3C)CC2)C1=O ZINC001164639930 719277298 /nfs/dbraw/zinc/27/72/98/719277298.db2.gz MBOQDYVITFHYEJ-UHFFFAOYSA-N 1 2 414.525 2.750 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(OC)cc2cc1C ZINC001164705753 719838894 /nfs/dbraw/zinc/83/88/94/719838894.db2.gz VEUAGZLORZCKJI-JPYJTQIMSA-N 1 2 413.518 2.785 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccsc21 ZINC001164703875 719846324 /nfs/dbraw/zinc/84/63/24/719846324.db2.gz QWQWNPZTIGKFHP-KPZWWZAWSA-N 1 2 410.927 2.577 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cccc(F)c21 ZINC001164698673 719849576 /nfs/dbraw/zinc/84/95/76/719849576.db2.gz GUDOKWCUBQCWKS-XCLFUZPHSA-N 1 2 422.888 2.655 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2nccc(Cl)c2cn1 ZINC001164704730 719852624 /nfs/dbraw/zinc/85/26/24/719852624.db2.gz SNXULJLDQRAFHB-VBKZILBWSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2nccc(Cl)c2cn1 ZINC001164704733 719852714 /nfs/dbraw/zinc/85/27/14/719852714.db2.gz SNXULJLDQRAFHB-XOBRGWDASA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2cc(Cl)ccc2n1 ZINC001164706690 719857335 /nfs/dbraw/zinc/85/73/35/719857335.db2.gz YLMPLRUYLCCTDH-OXQOHEQNSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2ccc(Cl)cc2n1 ZINC001164705999 719858553 /nfs/dbraw/zinc/85/85/53/719858553.db2.gz VXUPRIUBXNBKRU-OXQOHEQNSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)c(Cl)cc1Cl ZINC001164707610 719864287 /nfs/dbraw/zinc/86/42/87/719864287.db2.gz UGUMYBXWVGSLKX-UGSOOPFHSA-N 1 2 402.322 2.930 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(C)c(Cl)cnc1Cl ZINC001164701184 719864861 /nfs/dbraw/zinc/86/48/61/719864861.db2.gz FRZOIWDFCJUPLJ-FZKQIMNGSA-N 1 2 402.322 2.930 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(C)c(Cl)cnc1Cl ZINC001164701185 719865006 /nfs/dbraw/zinc/86/50/06/719865006.db2.gz FRZOIWDFCJUPLJ-SCLBCKFNSA-N 1 2 402.322 2.930 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(C)(C)C)nc(Cl)c1C ZINC001164702300 719867456 /nfs/dbraw/zinc/86/74/56/719867456.db2.gz IDYPWTQXEFTMJS-VFNWGFHPSA-N 1 2 424.973 2.969 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2F)nn1 ZINC001164708510 719872895 /nfs/dbraw/zinc/87/28/95/719872895.db2.gz ZPBXFYDSKIODDC-ZHRRBRCNSA-N 1 2 414.481 2.515 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)ccn4)CC3)C2=O)cs1 ZINC001164823318 720358662 /nfs/dbraw/zinc/35/86/62/720358662.db2.gz DRSJKAMHQKMIDW-UHFFFAOYSA-N 1 2 405.955 2.813 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)ccn4)CC3)C2=O)cs1 ZINC001164823318 720358668 /nfs/dbraw/zinc/35/86/68/720358668.db2.gz DRSJKAMHQKMIDW-UHFFFAOYSA-N 1 2 405.955 2.813 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)ccc4F)CC3)C2=O)cs1 ZINC001164825650 720362671 /nfs/dbraw/zinc/36/26/71/720362671.db2.gz SHSGVYQRQNHRFF-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)ccc4F)CC3)C2=O)cs1 ZINC001164825650 720362676 /nfs/dbraw/zinc/36/26/76/720362676.db2.gz SHSGVYQRQNHRFF-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO Cc1ccc2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)ccc2c1 ZINC001164827225 720428999 /nfs/dbraw/zinc/42/89/99/720428999.db2.gz RXAPNEPACUATRF-HXUWFJFHSA-N 1 2 421.545 2.729 20 0 HFADLO COC(=O)c1nc(Cl)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164731665 720481411 /nfs/dbraw/zinc/48/14/11/720481411.db2.gz XIIUWWZOIVGPMV-QWHCGFSZSA-N 1 2 408.289 2.818 20 0 HFADLO COC(=O)c1nc(Cl)c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164731665 720481423 /nfs/dbraw/zinc/48/14/23/720481423.db2.gz XIIUWWZOIVGPMV-QWHCGFSZSA-N 1 2 408.289 2.818 20 0 HFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164855967 720895204 /nfs/dbraw/zinc/89/52/04/720895204.db2.gz DUCRUWBMTDBWHO-UHFFFAOYSA-N 1 2 424.814 2.631 20 0 HFADLO [O-][n+]1ccc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cc1Cl ZINC001164870532 721221729 /nfs/dbraw/zinc/22/17/29/721221729.db2.gz GMQBMVGOFUADAJ-UHFFFAOYSA-N 1 2 410.852 2.789 20 0 HFADLO COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164780528 721423157 /nfs/dbraw/zinc/42/31/57/721423157.db2.gz AGFJIEAYCRRKBC-PHIMTYICSA-N 1 2 401.870 2.708 20 0 HFADLO COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164780528 721423158 /nfs/dbraw/zinc/42/31/58/721423158.db2.gz AGFJIEAYCRRKBC-PHIMTYICSA-N 1 2 401.870 2.708 20 0 HFADLO CN(C)C(=O)[C@H]1CC12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164910471 721569050 /nfs/dbraw/zinc/56/90/50/721569050.db2.gz XDDUMCYMCWRQSK-HXUWFJFHSA-N 1 2 405.546 2.730 20 0 HFADLO CN(C)C(=O)[C@H]1CC12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164910471 721569052 /nfs/dbraw/zinc/56/90/52/721569052.db2.gz XDDUMCYMCWRQSK-HXUWFJFHSA-N 1 2 405.546 2.730 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)OC(C)(C)C)cn1)C2 ZINC001165011670 721703927 /nfs/dbraw/zinc/70/39/27/721703927.db2.gz UYPAIYNUQODIGT-UHFFFAOYSA-N 1 2 400.527 2.879 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)OC(C)(C)C)cn1)C2 ZINC001165011670 721703937 /nfs/dbraw/zinc/70/39/37/721703937.db2.gz UYPAIYNUQODIGT-UHFFFAOYSA-N 1 2 400.527 2.879 20 0 HFADLO COc1cccc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164912700 721775114 /nfs/dbraw/zinc/77/51/14/721775114.db2.gz OPTVZSZQUQRBBQ-XMMPIXPASA-N 1 2 420.513 2.746 20 0 HFADLO COc1cccc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164912700 721775117 /nfs/dbraw/zinc/77/51/17/721775117.db2.gz OPTVZSZQUQRBBQ-XMMPIXPASA-N 1 2 420.513 2.746 20 0 HFADLO Fc1ccc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164915013 721795261 /nfs/dbraw/zinc/79/52/61/721795261.db2.gz TYFQPUQQBSKZNS-QHCPKHFHSA-N 1 2 408.477 2.877 20 0 HFADLO Fc1ccc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164915013 721795263 /nfs/dbraw/zinc/79/52/63/721795263.db2.gz TYFQPUQQBSKZNS-QHCPKHFHSA-N 1 2 408.477 2.877 20 0 HFADLO COC(=O)c1ccc2c(ccnc2N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1 ZINC001164917427 721814645 /nfs/dbraw/zinc/81/46/45/721814645.db2.gz MNTCUXFXCVJTSY-UHFFFAOYSA-N 1 2 405.502 2.967 20 0 HFADLO COC(=O)c1cc(Cl)c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1C ZINC001164918245 721821233 /nfs/dbraw/zinc/82/12/33/721821233.db2.gz DPFCPASNFVUHIX-UHFFFAOYSA-N 1 2 403.914 2.776 20 0 HFADLO O=C(c1cccnc1N1CCn2cccc2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165051859 721991375 /nfs/dbraw/zinc/99/13/75/721991375.db2.gz NSDQTKPRXCCJSD-UHFFFAOYSA-N 1 2 401.514 2.861 20 0 HFADLO O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000790467554 1078045279 /nfs/dbraw/zinc/04/52/79/1078045279.db2.gz PFFDQJXWSOBWIU-HSZRJFAPSA-N 1 2 424.476 2.501 20 0 HFADLO Cc1ccc(CN(CCO)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)o1 ZINC000793059496 1078068901 /nfs/dbraw/zinc/06/89/01/1078068901.db2.gz QGQNOJNMNURLOG-UHFFFAOYSA-N 1 2 400.523 2.827 20 0 HFADLO C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnnn1C1CC1 ZINC000790754062 1078111386 /nfs/dbraw/zinc/11/13/86/1078111386.db2.gz GCRQKJPSNQHTIH-GJZGRUSLSA-N 1 2 404.540 2.594 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000793256137 1078111675 /nfs/dbraw/zinc/11/16/75/1078111675.db2.gz ONYKCPHHIGXWDC-UHFFFAOYSA-N 1 2 415.309 2.522 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793334214 1078142724 /nfs/dbraw/zinc/14/27/24/1078142724.db2.gz NXRZEFVRRXUARI-ZDUSSCGKSA-N 1 2 408.449 2.996 20 0 HFADLO CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCCCC1 ZINC000793335488 1078142956 /nfs/dbraw/zinc/14/29/56/1078142956.db2.gz USHVZRORAOXWBE-SFHVURJKSA-N 1 2 409.571 2.974 20 0 HFADLO CC(C)(C)OC(=O)NC1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCCCC1 ZINC000793335488 1078142959 /nfs/dbraw/zinc/14/29/59/1078142959.db2.gz USHVZRORAOXWBE-SFHVURJKSA-N 1 2 409.571 2.974 20 0 HFADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2nc(Br)ccc2Br)C1 ZINC000790818554 1078153896 /nfs/dbraw/zinc/15/38/96/1078153896.db2.gz PRVGHNBZCRVEOL-VIFPVBQESA-N 1 2 414.101 2.970 20 0 HFADLO COCC1(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793416912 1078176811 /nfs/dbraw/zinc/17/68/11/1078176811.db2.gz QSXBDYBECWZKTA-KRWDZBQOSA-N 1 2 406.527 2.710 20 0 HFADLO CCN1C(=S)N=NC1C1CCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000793477504 1078187343 /nfs/dbraw/zinc/18/73/43/1078187343.db2.gz ZYPNCZQMTZOFPM-UHFFFAOYSA-N 1 2 420.489 2.929 20 0 HFADLO C[N@H+](Cn1ncc2cc(OCc3ccccc3)ccc21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793564733 1078211208 /nfs/dbraw/zinc/21/12/08/1078211208.db2.gz BNGCGXJCANUNLN-IBGZPJMESA-N 1 2 414.531 2.539 20 0 HFADLO C[N@@H+](Cn1ncc2cc(OCc3ccccc3)ccc21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793564733 1078211213 /nfs/dbraw/zinc/21/12/13/1078211213.db2.gz BNGCGXJCANUNLN-IBGZPJMESA-N 1 2 414.531 2.539 20 0 HFADLO C[N@H+](Cn1ncc2ccc(OCc3ccccc3)cc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793567833 1078211607 /nfs/dbraw/zinc/21/16/07/1078211607.db2.gz MQYOMLQVEKTYEI-LJQANCHMSA-N 1 2 414.531 2.539 20 0 HFADLO C[N@@H+](Cn1ncc2ccc(OCc3ccccc3)cc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793567833 1078211609 /nfs/dbraw/zinc/21/16/09/1078211609.db2.gz MQYOMLQVEKTYEI-LJQANCHMSA-N 1 2 414.531 2.539 20 0 HFADLO CN(C)C(=O)COc1ccccc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000793617685 1078229186 /nfs/dbraw/zinc/22/91/86/1078229186.db2.gz RHGRXUMHGBGMJK-ROUUACIJSA-N 1 2 423.529 2.933 20 0 HFADLO CN(C)C(=O)COc1ccccc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000793617685 1078229190 /nfs/dbraw/zinc/22/91/90/1078229190.db2.gz RHGRXUMHGBGMJK-ROUUACIJSA-N 1 2 423.529 2.933 20 0 HFADLO C[C@H](COc1ccccc1)NC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000793676656 1078251085 /nfs/dbraw/zinc/25/10/85/1078251085.db2.gz ALBNLCNSFVFRML-QGZVFWFLSA-N 1 2 410.518 2.509 20 0 HFADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)N[C@@H](C)COc2ccccc2)c(C)c1 ZINC000793684378 1078254159 /nfs/dbraw/zinc/25/41/59/1078254159.db2.gz ADKZFBNZLFFEHQ-SIKLNZKXSA-N 1 2 420.513 2.941 20 0 HFADLO CC(C)C1(C(C)C)NC(=O)N(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793724486 1078266354 /nfs/dbraw/zinc/26/63/54/1078266354.db2.gz UEQBAMZXLSYJQU-IRXDYDNUSA-N 1 2 422.570 2.878 20 0 HFADLO CC(C)C1(C(C)C)NC(=O)N(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793724486 1078266360 /nfs/dbraw/zinc/26/63/60/1078266360.db2.gz UEQBAMZXLSYJQU-IRXDYDNUSA-N 1 2 422.570 2.878 20 0 HFADLO CC[C@@H]1CC[N@@H+]1CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O ZINC000793821295 1078317275 /nfs/dbraw/zinc/31/72/75/1078317275.db2.gz ONOGTVNGEZBZMB-GOSISDBHSA-N 1 2 409.486 2.941 20 0 HFADLO CC[C@@H]1CC[N@H+]1CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O ZINC000793821295 1078317276 /nfs/dbraw/zinc/31/72/76/1078317276.db2.gz ONOGTVNGEZBZMB-GOSISDBHSA-N 1 2 409.486 2.941 20 0 HFADLO CC(C)(C)Oc1ccc(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000793817276 1078316148 /nfs/dbraw/zinc/31/61/48/1078316148.db2.gz OVVYIUGBQBVVKF-UHFFFAOYSA-N 1 2 406.486 2.982 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Oc2ccc3c(c2)NC(=O)CC3)[C@@H]1c1c[nH+]cn1C ZINC000793883206 1078322759 /nfs/dbraw/zinc/32/27/59/1078322759.db2.gz JHBZZMLUEGILDY-IIBYNOLFSA-N 1 2 410.474 2.600 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCCN(c2ncccc2F)CC1 ZINC000793918829 1078338168 /nfs/dbraw/zinc/33/81/68/1078338168.db2.gz FPWTUKJLYGVQQL-UHFFFAOYSA-N 1 2 403.408 2.896 20 0 HFADLO O=C(COC(=O)c1ccc(OC(F)F)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000793973275 1078349941 /nfs/dbraw/zinc/34/99/41/1078349941.db2.gz ZJYYAMBPVRQHCR-UHFFFAOYSA-N 1 2 410.442 2.851 20 0 HFADLO C[C@H]1CCC[C@@H](CNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000793945457 1078354269 /nfs/dbraw/zinc/35/42/69/1078354269.db2.gz YESAIJCTLASONY-ZWKOTPCHSA-N 1 2 400.567 2.780 20 0 HFADLO CC[NH+](CC)[C@H](C(=O)Nc1nc2nc(C)cc(=O)n2[nH]1)c1cccc(C(F)(F)F)c1 ZINC001129408591 1078441392 /nfs/dbraw/zinc/44/13/92/1078441392.db2.gz DLXKJLVWQLNYQZ-HNNXBMFYSA-N 1 2 422.411 2.766 20 0 HFADLO CCOC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@H](N3CCOCC3)C1)n2CC ZINC001170450465 1078475222 /nfs/dbraw/zinc/47/52/22/1078475222.db2.gz CFOSUKRDABQPRD-SFHVURJKSA-N 1 2 400.523 2.530 20 0 HFADLO CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@H](N3CCOCC3)C1)n2CC ZINC001170450465 1078475224 /nfs/dbraw/zinc/47/52/24/1078475224.db2.gz CFOSUKRDABQPRD-SFHVURJKSA-N 1 2 400.523 2.530 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000804437094 1078480809 /nfs/dbraw/zinc/48/08/09/1078480809.db2.gz VLRZNOMIEGTLFD-MISYRCLQSA-N 1 2 417.550 2.617 20 0 HFADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCCC[C@H]3COC(=O)N(C)C)cn2c1 ZINC000804657821 1078492292 /nfs/dbraw/zinc/49/22/92/1078492292.db2.gz UWAXRKUZWJCEIL-KRWDZBQOSA-N 1 2 404.536 2.955 20 0 HFADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2 ZINC001129857041 1078537167 /nfs/dbraw/zinc/53/71/67/1078537167.db2.gz FFVSAVRULZLHNB-UHFFFAOYSA-N 1 2 420.916 2.994 20 0 HFADLO Cc1ccccc1[C@H](O)C1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000804514533 1078556379 /nfs/dbraw/zinc/55/63/79/1078556379.db2.gz KRSTUGOSEINPQQ-HSZRJFAPSA-N 1 2 410.562 2.913 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2NC(=O)[C@H]2C[C@H]2F)CC1 ZINC001129624052 1078598432 /nfs/dbraw/zinc/59/84/32/1078598432.db2.gz ZYVRXDWUQIKRGA-JKSUJKDBSA-N 1 2 407.486 2.915 20 0 HFADLO Cc1cc(C)n([C@@H](C)CC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804760774 1078613046 /nfs/dbraw/zinc/61/30/46/1078613046.db2.gz ONLSIYPFYIYGFR-OALUTQOASA-N 1 2 419.570 2.605 20 0 HFADLO Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804760776 1078613082 /nfs/dbraw/zinc/61/30/82/1078613082.db2.gz ONLSIYPFYIYGFR-RTBURBONSA-N 1 2 419.570 2.605 20 0 HFADLO Cn1c[nH+]c(CCNC(=O)c2ccccc2Sc2ccc(S(C)(=O)=O)cc2)c1 ZINC001129649060 1078639224 /nfs/dbraw/zinc/63/92/24/1078639224.db2.gz NLWFWVJCWRNUFA-UHFFFAOYSA-N 1 2 415.540 2.947 20 0 HFADLO CC(C)(C)OC(=O)N1CCC(c2cnc(NC(=O)CC[NH+]3CCOCC3)s2)CC1 ZINC000804817119 1078659164 /nfs/dbraw/zinc/65/91/64/1078659164.db2.gz OYAJXQAHSZRGJD-UHFFFAOYSA-N 1 2 424.567 2.918 20 0 HFADLO Cc1cc(Cl)ccc1S(=O)(=O)NCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000804830428 1078670316 /nfs/dbraw/zinc/67/03/16/1078670316.db2.gz ZZBBWZVMWWIWDZ-UHFFFAOYSA-N 1 2 422.942 2.934 20 0 HFADLO Cc1cc(C(F)(F)F)nc(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804833808 1078673349 /nfs/dbraw/zinc/67/33/49/1078673349.db2.gz LWLRUBGDQMZLER-CQSZACIVSA-N 1 2 415.460 2.935 20 0 HFADLO Cc1cc(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)nc(-c2cccnc2)n1 ZINC000804833896 1078676456 /nfs/dbraw/zinc/67/64/56/1078676456.db2.gz OQUTTZCODIAUIP-IBGZPJMESA-N 1 2 424.549 2.978 20 0 HFADLO CC[C@@H]1OCC[C@H]1NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129754430 1078697494 /nfs/dbraw/zinc/69/74/94/1078697494.db2.gz ZCHRDTVLDILZKS-MOPGFXCFSA-N 1 2 405.539 2.697 20 0 HFADLO CC[C@@H]1OCC[C@H]1NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129754430 1078697500 /nfs/dbraw/zinc/69/75/00/1078697500.db2.gz ZCHRDTVLDILZKS-MOPGFXCFSA-N 1 2 405.539 2.697 20 0 HFADLO O=C(COC(=O)c1ccnc2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000804852532 1078721901 /nfs/dbraw/zinc/72/19/01/1078721901.db2.gz JYZLFVPNOYELQG-UHFFFAOYSA-N 1 2 405.454 2.863 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000804985510 1078822349 /nfs/dbraw/zinc/82/23/49/1078822349.db2.gz UYJCBWMCVQIGHB-HSALFYBXSA-N 1 2 414.550 2.879 20 0 HFADLO CCc1ccc([C@H]2CCCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)cc1 ZINC000805097478 1078885079 /nfs/dbraw/zinc/88/50/79/1078885079.db2.gz HROXZXZALXUBBF-FQEVSTJZSA-N 1 2 421.607 2.647 20 0 HFADLO CC(C)N(CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000805077022 1078907814 /nfs/dbraw/zinc/90/78/14/1078907814.db2.gz GSEHLLZAORMBFR-ZWKOTPCHSA-N 1 2 412.575 2.527 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C)[nH+]c12 ZINC000805166819 1078956140 /nfs/dbraw/zinc/95/61/40/1078956140.db2.gz PTYZDCSAVNBNTA-RDJZCZTQSA-N 1 2 401.511 2.882 20 0 HFADLO Cc1[nH]c2ccccc2c1C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000805267685 1079002698 /nfs/dbraw/zinc/00/26/98/1079002698.db2.gz DOJJEBKZRUVWPK-UHFFFAOYSA-N 1 2 421.497 2.782 20 0 HFADLO C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC000805277725 1079005606 /nfs/dbraw/zinc/00/56/06/1079005606.db2.gz HJZSEILKGUOXKD-GUDVDZBRSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@@H](CC(F)(F)F)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805292195 1079013814 /nfs/dbraw/zinc/01/38/14/1079013814.db2.gz JWLIFSBQGVHNSC-KBPBESRZSA-N 1 2 408.465 2.664 20 0 HFADLO CCC1(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCOCC1 ZINC000805378633 1079053072 /nfs/dbraw/zinc/05/30/72/1079053072.db2.gz UFXWECXGDWCKGW-SFHVURJKSA-N 1 2 424.586 2.530 20 0 HFADLO O=S(=O)(/C=C/c1ccc(F)cc1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000747241579 1079059219 /nfs/dbraw/zinc/05/92/19/1079059219.db2.gz BJKRONONUFQXOS-CXUHLZMHSA-N 1 2 407.486 2.677 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C1 ZINC000805474094 1079090430 /nfs/dbraw/zinc/09/04/30/1079090430.db2.gz NBOGYRPEVSNDBR-OAQYLSRUSA-N 1 2 409.486 2.583 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C1 ZINC000805474094 1079090437 /nfs/dbraw/zinc/09/04/37/1079090437.db2.gz NBOGYRPEVSNDBR-OAQYLSRUSA-N 1 2 409.486 2.583 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000805480167 1079093817 /nfs/dbraw/zinc/09/38/17/1079093817.db2.gz YRXWISDZNUFALQ-FQEVSTJZSA-N 1 2 412.442 2.797 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC000805480167 1079093823 /nfs/dbraw/zinc/09/38/23/1079093823.db2.gz YRXWISDZNUFALQ-FQEVSTJZSA-N 1 2 412.442 2.797 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC=CO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805515733 1079114926 /nfs/dbraw/zinc/11/49/26/1079114926.db2.gz LOTNNPANZKWJGM-WBAXXEDZSA-N 1 2 409.889 2.540 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC=CO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805515733 1079114930 /nfs/dbraw/zinc/11/49/30/1079114930.db2.gz LOTNNPANZKWJGM-WBAXXEDZSA-N 1 2 409.889 2.540 20 0 HFADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC=CO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805515935 1079114601 /nfs/dbraw/zinc/11/46/01/1079114601.db2.gz DUWFZRWXDPIZQL-SNRMKQJTSA-N 1 2 423.916 2.928 20 0 HFADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC=CO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805515935 1079114604 /nfs/dbraw/zinc/11/46/04/1079114604.db2.gz DUWFZRWXDPIZQL-SNRMKQJTSA-N 1 2 423.916 2.928 20 0 HFADLO C[C@H](CNC(=O)c1ccc2cncc(Br)c2n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259617 1079148318 /nfs/dbraw/zinc/14/83/18/1079148318.db2.gz HTZHUPVWNDSPKP-UPJWGTAASA-N 1 2 407.312 2.620 20 0 HFADLO C[C@H](CNC(=O)c1ccc2cncc(Br)c2n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259617 1079148325 /nfs/dbraw/zinc/14/83/25/1079148325.db2.gz HTZHUPVWNDSPKP-UPJWGTAASA-N 1 2 407.312 2.620 20 0 HFADLO O=S(=O)(/C=C/c1ccc(F)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000747256226 1079193803 /nfs/dbraw/zinc/19/38/03/1079193803.db2.gz IVMHYDJZGOUUGJ-AWNIVKPZSA-N 1 2 410.433 2.713 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@](C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)(C(F)(F)F)C1 ZINC000805647996 1079201356 /nfs/dbraw/zinc/20/13/56/1079201356.db2.gz DHMLTLQBOLNZFS-IYOUNJFTSA-N 1 2 422.444 2.582 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@](C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)(C(F)(F)F)C1 ZINC000805647996 1079201359 /nfs/dbraw/zinc/20/13/59/1079201359.db2.gz DHMLTLQBOLNZFS-IYOUNJFTSA-N 1 2 422.444 2.582 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@](C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)(C(F)(F)F)C1 ZINC000805648001 1079201383 /nfs/dbraw/zinc/20/13/83/1079201383.db2.gz DHMLTLQBOLNZFS-QWQRMKEZSA-N 1 2 422.444 2.582 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@](C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)(C(F)(F)F)C1 ZINC000805648001 1079201385 /nfs/dbraw/zinc/20/13/85/1079201385.db2.gz DHMLTLQBOLNZFS-QWQRMKEZSA-N 1 2 422.444 2.582 20 0 HFADLO CC(C)=C[C@H]1[C@H](C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000805782856 1079251401 /nfs/dbraw/zinc/25/14/01/1079251401.db2.gz OYVAZBUOIRBGBH-RBBKRZOGSA-N 1 2 414.546 2.917 20 0 HFADLO NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826641 1079296011 /nfs/dbraw/zinc/29/60/11/1079296011.db2.gz FUKWHRIORRNQOZ-KRWDZBQOSA-N 1 2 416.522 2.637 20 0 HFADLO NC(=O)c1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826641 1079296018 /nfs/dbraw/zinc/29/60/18/1079296018.db2.gz FUKWHRIORRNQOZ-KRWDZBQOSA-N 1 2 416.522 2.637 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000805831766 1079300392 /nfs/dbraw/zinc/30/03/92/1079300392.db2.gz MKBXHGDISYRMHC-YVMONPNESA-N 1 2 400.523 2.505 20 0 HFADLO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000747284830 1079359471 /nfs/dbraw/zinc/35/94/71/1079359471.db2.gz VXCGWURJWCXLLW-UHFFFAOYSA-N 1 2 407.879 2.604 20 0 HFADLO COc1cccc(CCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000806055667 1079400647 /nfs/dbraw/zinc/40/06/47/1079400647.db2.gz JFYHSFSILOXSLA-UHFFFAOYSA-N 1 2 402.516 2.577 20 0 HFADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1(c2cccc(Br)c2)CCCCC1 ZINC000747301817 1079417709 /nfs/dbraw/zinc/41/77/09/1079417709.db2.gz MYLDLZOHKNUCMY-GOSISDBHSA-N 1 2 406.368 2.767 20 0 HFADLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787354638 1076794300 /nfs/dbraw/zinc/79/43/00/1076794300.db2.gz MTHOOVFNODFGRP-RDTXWAMCSA-N 1 2 404.511 2.961 20 0 HFADLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787354638 1076794307 /nfs/dbraw/zinc/79/43/07/1076794307.db2.gz MTHOOVFNODFGRP-RDTXWAMCSA-N 1 2 404.511 2.961 20 0 HFADLO Cn1nccc1CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787384851 1076803235 /nfs/dbraw/zinc/80/32/35/1076803235.db2.gz WZZNPZOIQCRHRL-UHFFFAOYSA-N 1 2 406.328 2.506 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)COCC(F)(F)F)cc2Br)CC1 ZINC000787531466 1076850739 /nfs/dbraw/zinc/85/07/39/1076850739.db2.gz BTKWMJNESUBKIS-UHFFFAOYSA-N 1 2 410.234 2.718 20 0 HFADLO CCc1ncncc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787534987 1076851393 /nfs/dbraw/zinc/85/13/93/1076851393.db2.gz DMKSPKNXWCLHHR-UHFFFAOYSA-N 1 2 404.312 2.806 20 0 HFADLO COc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC000787534800 1076851586 /nfs/dbraw/zinc/85/15/86/1076851586.db2.gz CXGKYDXRXPLUIU-UHFFFAOYSA-N 1 2 405.296 2.857 20 0 HFADLO Cc1nn(C)c(C)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787534549 1076851616 /nfs/dbraw/zinc/85/16/16/1076851616.db2.gz XJWFIKRNINTGCC-UHFFFAOYSA-N 1 2 406.328 2.804 20 0 HFADLO Cc1ccc([C@H](CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)[NH+]2CCCC2)o1 ZINC000746688657 1076858241 /nfs/dbraw/zinc/85/82/41/1076858241.db2.gz JENDIAFMZRBIQF-KRWDZBQOSA-N 1 2 412.515 2.540 20 0 HFADLO CN(C)c1ccnc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1 ZINC000787675030 1076890032 /nfs/dbraw/zinc/89/00/32/1076890032.db2.gz ORAJVWJFLJWBED-UHFFFAOYSA-N 1 2 418.339 2.914 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3O)cc2Br)CC1 ZINC000787676231 1076890391 /nfs/dbraw/zinc/89/03/91/1076890391.db2.gz ZVTDGZJEGYOSLQ-UHFFFAOYSA-N 1 2 420.307 2.924 20 0 HFADLO COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000787642506 1076893769 /nfs/dbraw/zinc/89/37/69/1076893769.db2.gz CCUSTRAUBRVVNC-QGZVFWFLSA-N 1 2 404.898 2.894 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([NH+]2CCN(C(=O)CC3CCCCC3)CC2)C1 ZINC000787711232 1076922261 /nfs/dbraw/zinc/92/22/61/1076922261.db2.gz NYULHDPWSLHTKY-AUSIDOKSSA-N 1 2 423.598 2.861 20 0 HFADLO COc1ccc(CC[C@H](C)NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000787870450 1076967100 /nfs/dbraw/zinc/96/71/00/1076967100.db2.gz GIDXZXATOQODJJ-KRWDZBQOSA-N 1 2 406.486 2.635 20 0 HFADLO COc1ccccc1CNC(=O)C[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787998096 1077023418 /nfs/dbraw/zinc/02/34/18/1077023418.db2.gz WCEIUOFOMMBFDE-QFIPXVFZSA-N 1 2 403.523 2.787 20 0 HFADLO COc1ccccc1CNC(=O)C[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787998096 1077023423 /nfs/dbraw/zinc/02/34/23/1077023423.db2.gz WCEIUOFOMMBFDE-QFIPXVFZSA-N 1 2 403.523 2.787 20 0 HFADLO CC(C)(C)OC(=O)NC1(CO)CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000788002574 1077024614 /nfs/dbraw/zinc/02/46/14/1077024614.db2.gz FDHDSNLRZPAAPV-UHFFFAOYSA-N 1 2 406.458 2.727 20 0 HFADLO CC(C)(C)OC(=O)NC1(CO)CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000788004229 1077026274 /nfs/dbraw/zinc/02/62/74/1077026274.db2.gz NGZNXMIWGNZZNN-QGZVFWFLSA-N 1 2 423.941 2.797 20 0 HFADLO O=C(CCn1nnc2ccccc2c1=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245223 1077086050 /nfs/dbraw/zinc/08/60/50/1077086050.db2.gz QTMNAZIAHNXVGT-INIZCTEOSA-N 1 2 420.517 2.626 20 0 HFADLO O=C(CCn1nnc2ccccc2c1=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245223 1077086057 /nfs/dbraw/zinc/08/60/57/1077086057.db2.gz QTMNAZIAHNXVGT-INIZCTEOSA-N 1 2 420.517 2.626 20 0 HFADLO O=C1C[C@H]([NH+]2CCC(COc3ccc(Cl)nc3)CC2)C(=O)N1CC(F)(F)F ZINC000788330793 1077104234 /nfs/dbraw/zinc/10/42/34/1077104234.db2.gz IKJBMTJSQIXXOK-ZDUSSCGKSA-N 1 2 405.804 2.516 20 0 HFADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NCCSC(C)(C)C)CC2)c1 ZINC000788347166 1077113205 /nfs/dbraw/zinc/11/32/05/1077113205.db2.gz DCEUICXPMTZQHU-INIZCTEOSA-N 1 2 407.580 2.548 20 0 HFADLO CCc1ccc([C@@]2(CC)NC(=O)N(CN3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000788380887 1077135703 /nfs/dbraw/zinc/13/57/03/1077135703.db2.gz PIRZJBRGIDJHQC-NFBKMPQASA-N 1 2 408.502 2.912 20 0 HFADLO O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1CN1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788380426 1077136111 /nfs/dbraw/zinc/13/61/11/1077136111.db2.gz WAAZPVZLJSKAFN-VQIMIIECSA-N 1 2 420.391 2.502 20 0 HFADLO COc1ccc([C@@H](CNc2ccnc(C(=O)N3CCCCC3)c2)[NH+]2CCOCC2)cc1 ZINC000788450770 1077163731 /nfs/dbraw/zinc/16/37/31/1077163731.db2.gz YGFOWCXEMBZVAH-HSZRJFAPSA-N 1 2 424.545 2.624 20 0 HFADLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000788469962 1077169954 /nfs/dbraw/zinc/16/99/54/1077169954.db2.gz SSBDGCCVAVVFOH-LJQANCHMSA-N 1 2 405.564 2.927 20 0 HFADLO O=C(NCc1nc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cs1)c1ccccc1 ZINC000788471611 1077170387 /nfs/dbraw/zinc/17/03/87/1077170387.db2.gz LRNDANWRXVPQOR-IBGZPJMESA-N 1 2 411.531 2.742 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCN2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000788475168 1077171384 /nfs/dbraw/zinc/17/13/84/1077171384.db2.gz CSWMUNJSJLHELR-LJQANCHMSA-N 1 2 411.493 2.891 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)c1Cl ZINC000788701242 1077263544 /nfs/dbraw/zinc/26/35/44/1077263544.db2.gz ATCKGZOWNXVPEB-GFCCVEGCSA-N 1 2 416.908 2.734 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)/C=C\c2cccc(Br)c2)C[C@H](C)O1 ZINC000788696593 1077275534 /nfs/dbraw/zinc/27/55/34/1077275534.db2.gz UOZXXMCALXHQIY-LEQAYGSTSA-N 1 2 417.369 2.791 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)/C=C\c2cccc(Br)c2)C[C@H](C)O1 ZINC000788696593 1077275541 /nfs/dbraw/zinc/27/55/41/1077275541.db2.gz UOZXXMCALXHQIY-LEQAYGSTSA-N 1 2 417.369 2.791 20 0 HFADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCO1 ZINC000788766545 1077281445 /nfs/dbraw/zinc/28/14/45/1077281445.db2.gz LMAOOZAYQGMQRK-DZGCQCFKSA-N 1 2 401.338 2.592 20 0 HFADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCO1 ZINC000788766545 1077281450 /nfs/dbraw/zinc/28/14/50/1077281450.db2.gz LMAOOZAYQGMQRK-DZGCQCFKSA-N 1 2 401.338 2.592 20 0 HFADLO CC(C)(C)OC(=O)NC1(C)CC[NH+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1 ZINC000788779892 1077299348 /nfs/dbraw/zinc/29/93/48/1077299348.db2.gz NGNVHLQMAWYRMQ-SFHVURJKSA-N 1 2 415.534 2.941 20 0 HFADLO COC(=O)c1ccc(=O)n(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000788782190 1077300324 /nfs/dbraw/zinc/30/03/24/1077300324.db2.gz ZREPYIAIIPUFJK-UHFFFAOYSA-N 1 2 406.280 2.662 20 0 HFADLO COC(=O)c1ccc(=O)n(C[N@H+](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000788782190 1077300330 /nfs/dbraw/zinc/30/03/30/1077300330.db2.gz ZREPYIAIIPUFJK-UHFFFAOYSA-N 1 2 406.280 2.662 20 0 HFADLO Cc1cc(N2CCC[C@@H]([NH+]3CCN(c4ccnc5c(F)cccc45)CC3)C2=O)n(C)n1 ZINC000788852976 1077321113 /nfs/dbraw/zinc/32/11/13/1077321113.db2.gz FNBPOOJPZWYMQF-HXUWFJFHSA-N 1 2 422.508 2.733 20 0 HFADLO Cc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000791241884 1077341536 /nfs/dbraw/zinc/34/15/36/1077341536.db2.gz RZZPAGVVWPUCND-UHFFFAOYSA-N 1 2 413.499 2.901 20 0 HFADLO COc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1-n1cnnn1 ZINC000791271406 1077355320 /nfs/dbraw/zinc/35/53/20/1077355320.db2.gz IEBWEPDVLPNNCT-INIZCTEOSA-N 1 2 421.505 2.729 20 0 HFADLO COc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1-n1cnnn1 ZINC000791271406 1077355326 /nfs/dbraw/zinc/35/53/26/1077355326.db2.gz IEBWEPDVLPNNCT-INIZCTEOSA-N 1 2 421.505 2.729 20 0 HFADLO O=C(CSc1nnnn1C1CC1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791274310 1077356146 /nfs/dbraw/zinc/35/61/46/1077356146.db2.gz QNDGHNBYZFWGQV-CYBMUJFWSA-N 1 2 401.540 2.545 20 0 HFADLO O=C(CSc1nnnn1C1CC1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791274310 1077356154 /nfs/dbraw/zinc/35/61/54/1077356154.db2.gz QNDGHNBYZFWGQV-CYBMUJFWSA-N 1 2 401.540 2.545 20 0 HFADLO CCNS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000791337303 1077378517 /nfs/dbraw/zinc/37/85/17/1077378517.db2.gz WSIAYFDQGCXBEO-UHFFFAOYSA-N 1 2 417.462 2.975 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000791369058 1077394890 /nfs/dbraw/zinc/39/48/90/1077394890.db2.gz VZNRRNRFHREQFA-UHFFFAOYSA-N 1 2 403.442 2.920 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000789084593 1077399760 /nfs/dbraw/zinc/39/97/60/1077399760.db2.gz ZNBYDKYOKREWOF-QGZVFWFLSA-N 1 2 420.554 2.938 20 0 HFADLO CNS(=O)(=O)c1cc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)ccc1F ZINC000791404938 1077400224 /nfs/dbraw/zinc/40/02/24/1077400224.db2.gz JIIALKYVDUUNNQ-UHFFFAOYSA-N 1 2 403.435 2.585 20 0 HFADLO COc1ccc(Cl)c(COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000791413557 1077402627 /nfs/dbraw/zinc/40/26/27/1077402627.db2.gz WSOQVHJDUHALIK-UHFFFAOYSA-N 1 2 417.893 2.916 20 0 HFADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)NC(=O)N[C@H]1c1ccco1 ZINC000791582744 1077471685 /nfs/dbraw/zinc/47/16/85/1077471685.db2.gz COSJVJSEVOVVES-ZETOZRRWSA-N 1 2 401.385 2.723 20 0 HFADLO CCOC(=O)C1=C(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)NC(=O)N[C@H]1c1ccco1 ZINC000791582744 1077471689 /nfs/dbraw/zinc/47/16/89/1077471689.db2.gz COSJVJSEVOVVES-ZETOZRRWSA-N 1 2 401.385 2.723 20 0 HFADLO CCCc1noc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001086600452 1077506910 /nfs/dbraw/zinc/50/69/10/1077506910.db2.gz ULXIKPCMOGPHBN-HWWAQUKGSA-N 1 2 422.529 2.530 20 0 HFADLO CCCc1noc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001086600452 1077506915 /nfs/dbraw/zinc/50/69/15/1077506915.db2.gz ULXIKPCMOGPHBN-HWWAQUKGSA-N 1 2 422.529 2.530 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000791662231 1077516367 /nfs/dbraw/zinc/51/63/67/1077516367.db2.gz ORLZUHGTHHPQMT-DFHBCGBQSA-N 1 2 415.317 2.777 20 0 HFADLO CCOC(=O)N1CCC(NC(=O)C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000791632919 1077520502 /nfs/dbraw/zinc/52/05/02/1077520502.db2.gz HQTNTHJCVPPSIP-JOCHJYFZSA-N 1 2 410.518 2.806 20 0 HFADLO Cn1cc([C@@H]2CN(C(=O)COc3cc(Cl)c(Cl)cc3Cl)CC[NH2+]2)cn1 ZINC001170102246 1077540154 /nfs/dbraw/zinc/54/01/54/1077540154.db2.gz PNYCXMIJHVEWIK-AWEZNQCLSA-N 1 2 403.697 2.932 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000789424963 1077554275 /nfs/dbraw/zinc/55/42/75/1077554275.db2.gz LZMYMKGDUBEVKZ-OPAMFIHVSA-N 1 2 422.570 2.927 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000789424963 1077554278 /nfs/dbraw/zinc/55/42/78/1077554278.db2.gz LZMYMKGDUBEVKZ-OPAMFIHVSA-N 1 2 422.570 2.927 20 0 HFADLO COC[C@H](C)n1c(SCC(=O)OCc2cc[nH+]c(N)c2)nnc1-c1ccccc1 ZINC000791826811 1077575785 /nfs/dbraw/zinc/57/57/85/1077575785.db2.gz QNQRUMLVXPTVCC-AWEZNQCLSA-N 1 2 413.503 2.965 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+]3C[C@H](C)C[C@H](C)[C@H]3C)nc(=O)c2c1C ZINC000789449705 1077579185 /nfs/dbraw/zinc/57/91/85/1077579185.db2.gz IYQZWQCWZJIMRM-MBNYWOFBSA-N 1 2 407.536 2.963 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@H+]3C[C@H](C)C[C@H](C)[C@H]3C)nc(=O)c2c1C ZINC000789449705 1077579190 /nfs/dbraw/zinc/57/91/90/1077579190.db2.gz IYQZWQCWZJIMRM-MBNYWOFBSA-N 1 2 407.536 2.963 20 0 HFADLO Cc1ccc(NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)c(N(C)C)[nH+]1 ZINC000791844692 1077583074 /nfs/dbraw/zinc/58/30/74/1077583074.db2.gz GTVQOIATNWBRQQ-CQSZACIVSA-N 1 2 406.284 2.567 20 0 HFADLO O=C(OC[C@H]1CCCS(=O)(=O)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000791902562 1077590796 /nfs/dbraw/zinc/59/07/96/1077590796.db2.gz UTFQHTVUBWSWCF-AEFFLSMTSA-N 1 2 419.465 2.809 20 0 HFADLO O=C(OC[C@H]1CCCS(=O)(=O)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000791902562 1077590801 /nfs/dbraw/zinc/59/08/01/1077590801.db2.gz UTFQHTVUBWSWCF-AEFFLSMTSA-N 1 2 419.465 2.809 20 0 HFADLO O=C(OC[C@@H]1CCCS(=O)(=O)C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000791902565 1077590816 /nfs/dbraw/zinc/59/08/16/1077590816.db2.gz UTFQHTVUBWSWCF-WMZOPIPTSA-N 1 2 419.465 2.809 20 0 HFADLO O=C(OC[C@@H]1CCCS(=O)(=O)C1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000791902565 1077590819 /nfs/dbraw/zinc/59/08/19/1077590819.db2.gz UTFQHTVUBWSWCF-WMZOPIPTSA-N 1 2 419.465 2.809 20 0 HFADLO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000746819759 1077607184 /nfs/dbraw/zinc/60/71/84/1077607184.db2.gz YFYZXUFDCQNCRG-QGZVFWFLSA-N 1 2 405.539 2.638 20 0 HFADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@@H+]3CCC=C(c4ccccc4)C3)C2=O)cc1 ZINC000789546630 1077638261 /nfs/dbraw/zinc/63/82/61/1077638261.db2.gz TUWPJGQHNAMFSN-UHFFFAOYSA-N 1 2 419.481 2.775 20 0 HFADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@H+]3CCC=C(c4ccccc4)C3)C2=O)cc1 ZINC000789546630 1077638263 /nfs/dbraw/zinc/63/82/63/1077638263.db2.gz TUWPJGQHNAMFSN-UHFFFAOYSA-N 1 2 419.481 2.775 20 0 HFADLO CN(C(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)s1 ZINC001170111505 1077668228 /nfs/dbraw/zinc/66/82/28/1077668228.db2.gz GRQPDMIRCCGPCX-CQSZACIVSA-N 1 2 405.524 2.640 20 0 HFADLO COc1cccc(COc2cccc(Cl)c2C[NH2+]C[C@H]2CC(C(N)=O)=NO2)c1 ZINC000789559945 1077678666 /nfs/dbraw/zinc/67/86/66/1077678666.db2.gz DMTGQVRZDWCYTL-OAHLLOKOSA-N 1 2 403.866 2.647 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cccc(Cl)c2SC(F)F)[nH+]1 ZINC000789599147 1077703325 /nfs/dbraw/zinc/70/33/25/1077703325.db2.gz BBDAGWINNNEBQJ-UHFFFAOYSA-N 1 2 423.232 2.961 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(OC3CCCCC3)cc2)[nH+]1 ZINC000789601710 1077704905 /nfs/dbraw/zinc/70/49/05/1077704905.db2.gz UCOHEEMXNMGPBU-UHFFFAOYSA-N 1 2 404.858 2.704 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)C2)c1 ZINC000792082579 1077706989 /nfs/dbraw/zinc/70/69/89/1077706989.db2.gz TYZRNAXGGVITBG-OALUTQOASA-N 1 2 400.479 2.624 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)C2)c1 ZINC000792082581 1077707195 /nfs/dbraw/zinc/70/71/95/1077707195.db2.gz TYZRNAXGGVITBG-RTBURBONSA-N 1 2 400.479 2.624 20 0 HFADLO CCN(C)c1ccc(C[N@H+](CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)cn1 ZINC000792156648 1077725265 /nfs/dbraw/zinc/72/52/65/1077725265.db2.gz JKJBDGHZGYXUIL-UHFFFAOYSA-N 1 2 411.550 2.835 20 0 HFADLO CCN(C)c1ccc(C[N@@H+](CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)cn1 ZINC000792156648 1077725274 /nfs/dbraw/zinc/72/52/74/1077725274.db2.gz JKJBDGHZGYXUIL-UHFFFAOYSA-N 1 2 411.550 2.835 20 0 HFADLO Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000789691033 1077729582 /nfs/dbraw/zinc/72/95/82/1077729582.db2.gz QLDNZECEAYCHGC-WBVHZDCISA-N 1 2 408.836 2.822 20 0 HFADLO Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000789691033 1077729588 /nfs/dbraw/zinc/72/95/88/1077729588.db2.gz QLDNZECEAYCHGC-WBVHZDCISA-N 1 2 408.836 2.822 20 0 HFADLO Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000789691027 1077729618 /nfs/dbraw/zinc/72/96/18/1077729618.db2.gz QLDNZECEAYCHGC-DOTOQJQBSA-N 1 2 408.836 2.822 20 0 HFADLO Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000789691027 1077729626 /nfs/dbraw/zinc/72/96/26/1077729626.db2.gz QLDNZECEAYCHGC-DOTOQJQBSA-N 1 2 408.836 2.822 20 0 HFADLO O=C(CC[NH+]1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)Nc1cccnc1 ZINC000792198281 1077742312 /nfs/dbraw/zinc/74/23/12/1077742312.db2.gz BGBZKARKYPOTAG-UHFFFAOYSA-N 1 2 400.351 2.928 20 0 HFADLO Cc1cc2n[nH]cc2cc1NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000792235516 1077757507 /nfs/dbraw/zinc/75/75/07/1077757507.db2.gz BQCATPXZOJHKRT-UHFFFAOYSA-N 1 2 420.517 2.661 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)CC1 ZINC000792215743 1077768945 /nfs/dbraw/zinc/76/89/45/1077768945.db2.gz PEQTYKFEFVQZRE-ZWKOTPCHSA-N 1 2 407.555 2.680 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)CC1 ZINC000792215396 1077769015 /nfs/dbraw/zinc/76/90/15/1077769015.db2.gz PEQTYKFEFVQZRE-MSOLQXFVSA-N 1 2 407.555 2.680 20 0 HFADLO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789767996 1077769736 /nfs/dbraw/zinc/76/97/36/1077769736.db2.gz GLPAQIQFRHOCSK-IBGZPJMESA-N 1 2 422.316 2.721 20 0 HFADLO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789767996 1077769742 /nfs/dbraw/zinc/76/97/42/1077769742.db2.gz GLPAQIQFRHOCSK-IBGZPJMESA-N 1 2 422.316 2.721 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)c2ccncc2Cl)[C@@H]1c1c[nH+]cn1C ZINC000792272046 1077788146 /nfs/dbraw/zinc/78/81/46/1077788146.db2.gz NFQJSYRHBWGJND-AUUYWEPGSA-N 1 2 418.881 2.584 20 0 HFADLO COc1cccc(NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1F ZINC000789796893 1077802806 /nfs/dbraw/zinc/80/28/06/1077802806.db2.gz NLQMVAGLEKLCBQ-UHFFFAOYSA-N 1 2 400.454 2.712 20 0 HFADLO CCOC(=O)c1ccccc1NC(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792387412 1077830708 /nfs/dbraw/zinc/83/07/08/1077830708.db2.gz DQAGZFODGVCDBB-UHFFFAOYSA-N 1 2 401.438 2.879 20 0 HFADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3nc(Br)cs3)cc2)CC1 ZINC000792437724 1077851735 /nfs/dbraw/zinc/85/17/35/1077851735.db2.gz OHCKGCKMDGZEPS-UHFFFAOYSA-N 1 2 423.336 2.822 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C2=O)c(C)c1 ZINC000789895299 1077853531 /nfs/dbraw/zinc/85/35/31/1077853531.db2.gz UCNZUGMKBVYBPA-LEWJYISDSA-N 1 2 406.530 2.893 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2=O)c(C)c1 ZINC000789895299 1077853536 /nfs/dbraw/zinc/85/35/36/1077853536.db2.gz UCNZUGMKBVYBPA-LEWJYISDSA-N 1 2 406.530 2.893 20 0 HFADLO COc1cccc([C@@H](C)CCCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000789941188 1077860982 /nfs/dbraw/zinc/86/09/82/1077860982.db2.gz NGDQLSZDHCUSIY-KRWDZBQOSA-N 1 2 410.580 2.594 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000789941919 1077861681 /nfs/dbraw/zinc/86/16/81/1077861681.db2.gz NQFFANFDKHWBJX-UHFFFAOYSA-N 1 2 417.535 2.568 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)Cc3ncccc3F)cc2Br)CC1 ZINC000792474791 1077873624 /nfs/dbraw/zinc/87/36/24/1077873624.db2.gz IXWNACXGLVJSGQ-UHFFFAOYSA-N 1 2 407.287 2.916 20 0 HFADLO CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000789968098 1077875665 /nfs/dbraw/zinc/87/56/65/1077875665.db2.gz OPTCIXNHOOYHFH-LAUBAEHRSA-N 1 2 400.567 2.923 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CC(C)(F)C1 ZINC000792524386 1077887250 /nfs/dbraw/zinc/88/72/50/1077887250.db2.gz WRHMBKJNRXNURS-SFHVURJKSA-N 1 2 416.497 2.938 20 0 HFADLO NC(=O)C1CCN(c2cc(NCc3ccc(C4(C(F)(F)F)N=N4)cc3)[nH+]cn2)CC1 ZINC001170295717 1077930242 /nfs/dbraw/zinc/93/02/42/1077930242.db2.gz PJAUGNKHBMICIA-UHFFFAOYSA-N 1 2 419.411 2.971 20 0 HFADLO NC(=O)C1CCN(c2cc(NCc3ccc(C4(C(F)(F)F)N=N4)cc3)nc[nH+]2)CC1 ZINC001170295717 1077930246 /nfs/dbraw/zinc/93/02/46/1077930246.db2.gz PJAUGNKHBMICIA-UHFFFAOYSA-N 1 2 419.411 2.971 20 0 HFADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](CC(=O)Nc2cnccn2)CC1 ZINC001170300757 1077931795 /nfs/dbraw/zinc/93/17/95/1077931795.db2.gz VHMMJVZUIMERPL-SFHVURJKSA-N 1 2 403.527 2.773 20 0 HFADLO Cc1cccc(CCCOCCOC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)[nH+]1 ZINC000790108234 1077939051 /nfs/dbraw/zinc/93/90/51/1077939051.db2.gz SJVMEGPSNFXKCV-IBGZPJMESA-N 1 2 403.500 2.844 20 0 HFADLO CO[C@@H]1C[N@H+](CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)C[C@H]1O ZINC001170307580 1077947799 /nfs/dbraw/zinc/94/77/99/1077947799.db2.gz CMYQTPUIWXXDRW-FGZHOGPDSA-N 1 2 420.513 2.786 20 0 HFADLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cc(-c3cc(C)cc(C)c3)nn2-c2ccccc2)C[C@H]1O ZINC001170307580 1077947802 /nfs/dbraw/zinc/94/78/02/1077947802.db2.gz CMYQTPUIWXXDRW-FGZHOGPDSA-N 1 2 420.513 2.786 20 0 HFADLO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Oc4ccc(F)nc4)CC3)C2=O)cc1 ZINC000790103441 1077949950 /nfs/dbraw/zinc/94/99/50/1077949950.db2.gz RAVHNYOEEGTSDT-IBGZPJMESA-N 1 2 413.449 2.795 20 0 HFADLO Cc1cccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1NC(=O)c1ccncc1 ZINC000790128190 1077951425 /nfs/dbraw/zinc/95/14/25/1077951425.db2.gz SKHVLEOXSKZLNV-HDICACEKSA-N 1 2 410.518 2.824 20 0 HFADLO Cc1cccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1NC(=O)c1ccncc1 ZINC000790128190 1077951427 /nfs/dbraw/zinc/95/14/27/1077951427.db2.gz SKHVLEOXSKZLNV-HDICACEKSA-N 1 2 410.518 2.824 20 0 HFADLO O=C(COC(=O)[C@H]1CCC(=O)c2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000792649512 1077957870 /nfs/dbraw/zinc/95/78/70/1077957870.db2.gz WJUKXCIZHGRLLQ-NRFANRHFSA-N 1 2 422.481 2.761 20 0 HFADLO CS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000790156705 1077960912 /nfs/dbraw/zinc/96/09/12/1077960912.db2.gz HVSYDOYONBRNIF-UHFFFAOYSA-N 1 2 405.495 2.782 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)cc2C1 ZINC000790156963 1077961199 /nfs/dbraw/zinc/96/11/99/1077961199.db2.gz FKYXZFBNFRGGHY-SFHVURJKSA-N 1 2 422.312 2.899 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)cc2C1 ZINC000790156963 1077961201 /nfs/dbraw/zinc/96/12/01/1077961201.db2.gz FKYXZFBNFRGGHY-SFHVURJKSA-N 1 2 422.312 2.899 20 0 HFADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000790276330 1077982763 /nfs/dbraw/zinc/98/27/63/1077982763.db2.gz KWIQQYUUEVQRIP-OAHLLOKOSA-N 1 2 400.516 2.836 20 0 HFADLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000790276330 1077982765 /nfs/dbraw/zinc/98/27/65/1077982765.db2.gz KWIQQYUUEVQRIP-OAHLLOKOSA-N 1 2 400.516 2.836 20 0 HFADLO C[C@H]1COCCC[N@@H+]1CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000772821576 1077990305 /nfs/dbraw/zinc/99/03/05/1077990305.db2.gz BRFJITAAOIYBQC-IBGZPJMESA-N 1 2 407.514 2.831 20 0 HFADLO C[C@H]1COCCC[N@H+]1CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000772821576 1077990310 /nfs/dbraw/zinc/99/03/10/1077990310.db2.gz BRFJITAAOIYBQC-IBGZPJMESA-N 1 2 407.514 2.831 20 0 HFADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)CCO1 ZINC000790270645 1077991664 /nfs/dbraw/zinc/99/16/64/1077991664.db2.gz SXLLGOBFZSZUHG-GOSISDBHSA-N 1 2 424.586 2.530 20 0 HFADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)CCO1 ZINC000790270645 1077991668 /nfs/dbraw/zinc/99/16/68/1077991668.db2.gz SXLLGOBFZSZUHG-GOSISDBHSA-N 1 2 424.586 2.530 20 0 HFADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1[C@H]1CCN(C2CCOCC2)C1=O ZINC000790319414 1077996683 /nfs/dbraw/zinc/99/66/83/1077996683.db2.gz NZWABAKZDBMWFL-OFAXGOBFSA-N 1 2 414.594 2.702 20 0 HFADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1[C@H]1CCN(C2CCOCC2)C1=O ZINC000790319414 1077996686 /nfs/dbraw/zinc/99/66/86/1077996686.db2.gz NZWABAKZDBMWFL-OFAXGOBFSA-N 1 2 414.594 2.702 20 0 HFADLO C[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1nnnn1C1CC1 ZINC000790330353 1077998709 /nfs/dbraw/zinc/99/87/09/1077998709.db2.gz DPWAKKNLSFHAPH-WFASDCNBSA-N 1 2 421.908 2.825 20 0 HFADLO C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1nnnn1C1CC1 ZINC000790330353 1077998714 /nfs/dbraw/zinc/99/87/14/1077998714.db2.gz DPWAKKNLSFHAPH-WFASDCNBSA-N 1 2 421.908 2.825 20 0 HFADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000792849160 1078014102 /nfs/dbraw/zinc/01/41/02/1078014102.db2.gz PKGKQSJNGYYQJS-LJQANCHMSA-N 1 2 417.550 2.781 20 0 HFADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)C2 ZINC000792892859 1078018398 /nfs/dbraw/zinc/01/83/98/1078018398.db2.gz SVVSMCJITFHNMM-UHFFFAOYSA-N 1 2 411.568 2.552 20 0 HFADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)C2 ZINC000792892859 1078018402 /nfs/dbraw/zinc/01/84/02/1078018402.db2.gz SVVSMCJITFHNMM-UHFFFAOYSA-N 1 2 411.568 2.552 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H](O)COc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000792922230 1078026576 /nfs/dbraw/zinc/02/65/76/1078026576.db2.gz RKMAJUYKAWOCER-ULQDDVLXSA-N 1 2 400.466 2.845 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1C[C@H](O)COc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000792922230 1078026580 /nfs/dbraw/zinc/02/65/80/1078026580.db2.gz RKMAJUYKAWOCER-ULQDDVLXSA-N 1 2 400.466 2.845 20 0 HFADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)ccc1F ZINC000790460704 1078027235 /nfs/dbraw/zinc/02/72/35/1078027235.db2.gz SOFTYUCOKJLKIF-KRWDZBQOSA-N 1 2 420.506 2.550 20 0 HFADLO CCOC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)ccc1F ZINC000790460704 1078027242 /nfs/dbraw/zinc/02/72/42/1078027242.db2.gz SOFTYUCOKJLKIF-KRWDZBQOSA-N 1 2 420.506 2.550 20 0 HFADLO Cn1c[nH+]cc1CCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000792936067 1078029045 /nfs/dbraw/zinc/02/90/45/1078029045.db2.gz DAQWAXVNMLBOIK-YBEGLDIGSA-N 1 2 418.906 2.859 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(c3nc(-c4ccccn4)no3)CC1)C2 ZINC000790437230 1078030990 /nfs/dbraw/zinc/03/09/90/1078030990.db2.gz AKPKIMYLESRBFA-UHFFFAOYSA-N 1 2 405.458 2.933 20 0 HFADLO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cnn1C ZINC000790453740 1078036260 /nfs/dbraw/zinc/03/62/60/1078036260.db2.gz SYRRPVBQMPXRGI-INIZCTEOSA-N 1 2 409.490 2.711 20 0 HFADLO Cc1c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cnn1C ZINC000790453740 1078036264 /nfs/dbraw/zinc/03/62/64/1078036264.db2.gz SYRRPVBQMPXRGI-INIZCTEOSA-N 1 2 409.490 2.711 20 0 HFADLO COc1c(F)cc(Br)cc1S(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000790456303 1078037405 /nfs/dbraw/zinc/03/74/05/1078037405.db2.gz FNKSVABBGASAQP-UHFFFAOYSA-N 1 2 418.288 2.608 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c(C)c1Cl ZINC000790456362 1078037479 /nfs/dbraw/zinc/03/74/79/1078037479.db2.gz HLMTWJWPDMCQFH-UHFFFAOYSA-N 1 2 403.913 2.508 20 0 HFADLO Cc1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)nc1Br ZINC000792969589 1078038685 /nfs/dbraw/zinc/03/86/85/1078038685.db2.gz FRPHZWVXNHGKAX-UHFFFAOYSA-N 1 2 414.263 2.593 20 0 HFADLO CCOC(=O)c1cc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(F)cc1C ZINC000792969234 1078038739 /nfs/dbraw/zinc/03/87/39/1078038739.db2.gz PFLARQOMOBGYKX-UHFFFAOYSA-N 1 2 424.432 2.751 20 0 HFADLO CNC(=O)OC[C@H]1CCCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000806261341 1079527261 /nfs/dbraw/zinc/52/72/61/1079527261.db2.gz JFNFHHFWLPWKJH-MRXNPFEDSA-N 1 2 401.467 2.705 20 0 HFADLO O=C(CCc1[nH]cc[nH+]1)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000806272455 1079535476 /nfs/dbraw/zinc/53/54/76/1079535476.db2.gz FCGVPYXBBQYMRW-KAMYIIQDSA-N 1 2 404.879 2.848 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NC[C@H]3CC3(Cl)Cl)CC2)C1 ZINC000806314305 1079566386 /nfs/dbraw/zinc/56/63/86/1079566386.db2.gz UAHJJTLLZVEQCV-ZIAGYGMSSA-N 1 2 421.369 2.517 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000806332246 1079602608 /nfs/dbraw/zinc/60/26/08/1079602608.db2.gz LLOFQFATLIONAF-RJVLVOQWSA-N 1 2 405.442 2.641 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCCc3cccc(F)c3)CC2)C1 ZINC000806334359 1079606348 /nfs/dbraw/zinc/60/63/48/1079606348.db2.gz FIISTNPVLGARSP-IBGZPJMESA-N 1 2 420.529 2.705 20 0 HFADLO Cc1cc(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)ccc1F ZINC000806352621 1079624974 /nfs/dbraw/zinc/62/49/74/1079624974.db2.gz VFDGMXDFUTULJT-SFHVURJKSA-N 1 2 420.529 2.971 20 0 HFADLO COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000806548442 1079786913 /nfs/dbraw/zinc/78/69/13/1079786913.db2.gz IIBDZSWSJBUVGM-INIZCTEOSA-N 1 2 402.451 2.657 20 0 HFADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@H]3c3cccc(N(C)C)c3)[nH+]c12 ZINC000806536282 1079808727 /nfs/dbraw/zinc/80/87/27/1079808727.db2.gz JSJCDWVGQMAYQR-NRFANRHFSA-N 1 2 419.529 2.731 20 0 HFADLO C[C@]1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC(c2ccccc2Cl)=NO1 ZINC000806554123 1079817782 /nfs/dbraw/zinc/81/77/82/1079817782.db2.gz KRJXDKRAQZJRBA-WOJBJXKFSA-N 1 2 423.966 2.547 20 0 HFADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000806629365 1079885660 /nfs/dbraw/zinc/88/56/60/1079885660.db2.gz ZCSIKCUZSABOJZ-UHFFFAOYSA-N 1 2 403.585 2.804 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NC3CCC(C)(C)CC3)CC2)cc1 ZINC000806630062 1079887201 /nfs/dbraw/zinc/88/72/01/1079887201.db2.gz FJSASPRNCMKMDF-UHFFFAOYSA-N 1 2 400.567 2.923 20 0 HFADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000806630820 1079887308 /nfs/dbraw/zinc/88/73/08/1079887308.db2.gz UQBGVDFLGWTNOL-UHFFFAOYSA-N 1 2 417.955 2.940 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000806668527 1079929156 /nfs/dbraw/zinc/92/91/56/1079929156.db2.gz OCHNDKQKONHDHU-QZTJIDSGSA-N 1 2 424.586 2.719 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCCSC(C)(C)C)CC2)C1 ZINC000806709640 1079937786 /nfs/dbraw/zinc/93/77/86/1079937786.db2.gz JDRFPYHHNVJRPO-MRXNPFEDSA-N 1 2 414.616 2.855 20 0 HFADLO CCc1nc(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cs1 ZINC000806757536 1079975285 /nfs/dbraw/zinc/97/52/85/1079975285.db2.gz LSQNDWVHZNGIPI-INIZCTEOSA-N 1 2 423.583 2.542 20 0 HFADLO CCc1nc(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cs1 ZINC000806757537 1079975350 /nfs/dbraw/zinc/97/53/50/1079975350.db2.gz LSQNDWVHZNGIPI-MRXNPFEDSA-N 1 2 423.583 2.542 20 0 HFADLO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1cccc(O)c1 ZINC000806794451 1080014398 /nfs/dbraw/zinc/01/43/98/1080014398.db2.gz QZAIJMRZKQTXGQ-WMZOPIPTSA-N 1 2 418.538 2.790 20 0 HFADLO O=C(CSc1n[nH]c(=S)s1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000747354182 1080028937 /nfs/dbraw/zinc/02/89/37/1080028937.db2.gz RBYPUURZASCOKV-UHFFFAOYSA-N 1 2 417.585 2.812 20 0 HFADLO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)c1ccccc1Cl ZINC000806830074 1080044308 /nfs/dbraw/zinc/04/43/08/1080044308.db2.gz BDVMXEPXXHSWIY-SFHVURJKSA-N 1 2 403.910 2.925 20 0 HFADLO COC(C)(C)C[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806866873 1080068829 /nfs/dbraw/zinc/06/88/29/1080068829.db2.gz DREDFIDSUVDKOV-DLBZAZTESA-N 1 2 412.575 2.527 20 0 HFADLO CCOCCC1(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000807012892 1080210280 /nfs/dbraw/zinc/21/02/80/1080210280.db2.gz XRSGYPWXZSKOHH-SFHVURJKSA-N 1 2 424.586 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC3CCC(F)(F)CC3)C2)CC1 ZINC000807038272 1080228346 /nfs/dbraw/zinc/22/83/46/1080228346.db2.gz LLGAGRCNAZSBNN-INIZCTEOSA-N 1 2 416.513 2.901 20 0 HFADLO Cc1c(F)c(Br)ccc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001130819773 1080228551 /nfs/dbraw/zinc/22/85/51/1080228551.db2.gz GPSJBVCEISAFJY-DOMZBBRYSA-N 1 2 401.276 2.715 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCc3ccc(Cl)cn3)CC2)C1 ZINC000807074432 1080256534 /nfs/dbraw/zinc/25/65/34/1080256534.db2.gz NXFJBIGPSUFRBM-QGZVFWFLSA-N 1 2 423.945 2.572 20 0 HFADLO O=C(NC1CCCCC1)OC[C@@H]1CCCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000807150798 1080308432 /nfs/dbraw/zinc/30/84/32/1080308432.db2.gz XUMWNLRDOUXBKG-ROUUACIJSA-N 1 2 403.527 2.821 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)c(Cl)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807156883 1080313597 /nfs/dbraw/zinc/31/35/97/1080313597.db2.gz MXLSQBYABYGYKG-DZGCQCFKSA-N 1 2 411.264 2.802 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)c(Cl)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807156883 1080313608 /nfs/dbraw/zinc/31/36/08/1080313608.db2.gz MXLSQBYABYGYKG-DZGCQCFKSA-N 1 2 411.264 2.802 20 0 HFADLO CS[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000807205810 1080354697 /nfs/dbraw/zinc/35/46/97/1080354697.db2.gz QSLCCYQSZGBRKL-YLJYHZDGSA-N 1 2 418.607 2.628 20 0 HFADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CCCC34OCCO4)[nH+]c12 ZINC000807244851 1080400811 /nfs/dbraw/zinc/40/08/11/1080400811.db2.gz UHKRWIRGVXHURY-HNNXBMFYSA-N 1 2 408.296 2.607 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000807282022 1080440991 /nfs/dbraw/zinc/44/09/91/1080440991.db2.gz BNSMYTMDCPPRHV-MRXNPFEDSA-N 1 2 422.272 2.656 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(Oc2ccc(C)cc2)cc1 ZINC000807282607 1080442252 /nfs/dbraw/zinc/44/22/52/1080442252.db2.gz OJWFJVNGDZKCTH-FQEVSTJZSA-N 1 2 409.442 2.721 20 0 HFADLO Cc1ccc(NC(=O)C(=O)NCC(C)(C)Oc2cc(F)cc(F)c2)c(N(C)C)[nH+]1 ZINC000807289395 1080457125 /nfs/dbraw/zinc/45/71/25/1080457125.db2.gz STOCZRVWBNRQGA-UHFFFAOYSA-N 1 2 406.433 2.647 20 0 HFADLO C[C@@H](O)c1cc(NC(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)ccc1F ZINC000807398480 1080594793 /nfs/dbraw/zinc/59/47/93/1080594793.db2.gz VCPAMXAFZGRHBG-HUUCEWRRSA-N 1 2 415.465 2.849 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807518305 1080770978 /nfs/dbraw/zinc/77/09/78/1080770978.db2.gz SIRNDWSMYYEKTF-MOPGFXCFSA-N 1 2 405.420 2.590 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807518305 1080770987 /nfs/dbraw/zinc/77/09/87/1080770987.db2.gz SIRNDWSMYYEKTF-MOPGFXCFSA-N 1 2 405.420 2.590 20 0 HFADLO COc1cc(NC(=O)c2ccco2)c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000747400884 1080781098 /nfs/dbraw/zinc/78/10/98/1080781098.db2.gz OWHFGQLJWIYOPE-CQSZACIVSA-N 1 2 412.446 2.812 20 0 HFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(N)=O)ccn1)CC2 ZINC001164664604 719346479 /nfs/dbraw/zinc/34/64/79/719346479.db2.gz ZTMUVKZWJXPLDE-UHFFFAOYSA-N 1 2 416.529 2.875 20 0 HFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(N)=O)ccn1)CC2 ZINC001164664604 719346484 /nfs/dbraw/zinc/34/64/84/719346484.db2.gz ZTMUVKZWJXPLDE-UHFFFAOYSA-N 1 2 416.529 2.875 20 0 HFADLO COCc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(C)n1 ZINC001164671259 719504793 /nfs/dbraw/zinc/50/47/93/719504793.db2.gz DDNIPMJZHGHNRI-UHFFFAOYSA-N 1 2 400.498 2.942 20 0 HFADLO COCc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(C)n1 ZINC001164671259 719504794 /nfs/dbraw/zinc/50/47/94/719504794.db2.gz DDNIPMJZHGHNRI-UHFFFAOYSA-N 1 2 400.498 2.942 20 0 HFADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164678356 719564852 /nfs/dbraw/zinc/56/48/52/719564852.db2.gz XWNNCWUFGRBYLQ-UHFFFAOYSA-N 1 2 423.807 2.862 20 0 HFADLO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677219 719566958 /nfs/dbraw/zinc/56/69/58/719566958.db2.gz VSUWDYFIGULXMW-UHFFFAOYSA-N 1 2 405.796 2.952 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)c2cc(OC)ccc2n1 ZINC001164705138 719854539 /nfs/dbraw/zinc/85/45/39/719854539.db2.gz TVXKSEWASHGGLK-HXOBKFHXSA-N 1 2 413.518 2.785 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)c2cc(OC)ccc2n1 ZINC001164705139 719854768 /nfs/dbraw/zinc/85/47/68/719854768.db2.gz TVXKSEWASHGGLK-SBUREZEXSA-N 1 2 413.518 2.785 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccsc2)n1 ZINC001164708007 719872193 /nfs/dbraw/zinc/87/21/93/719872193.db2.gz XFCQSOUAAAZWSP-UWJYYQICSA-N 1 2 416.547 2.746 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccnc1Oc1ccccc1 ZINC001164701232 719874457 /nfs/dbraw/zinc/87/44/57/719874457.db2.gz GELSBQUGYGLVMU-JTSKRJEESA-N 1 2 412.490 2.502 20 0 HFADLO CCCc1nccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164823624 720384041 /nfs/dbraw/zinc/38/40/41/720384041.db2.gz OWLBBBVLSOBOSE-UHFFFAOYSA-N 1 2 414.579 2.507 20 0 HFADLO CCCc1nccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164823624 720384043 /nfs/dbraw/zinc/38/40/43/720384043.db2.gz OWLBBBVLSOBOSE-UHFFFAOYSA-N 1 2 414.579 2.507 20 0 HFADLO Cc1cc(Cl)c(C)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164829248 720462081 /nfs/dbraw/zinc/46/20/81/720462081.db2.gz DULSIQHJIODMAM-KRWDZBQOSA-N 1 2 419.957 2.538 20 0 HFADLO FC(F)(c1nccnc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164771105 721275440 /nfs/dbraw/zinc/27/54/40/721275440.db2.gz ZJMHWZHRVABFMI-ZDUSSCGKSA-N 1 2 406.824 2.982 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001164880772 721324380 /nfs/dbraw/zinc/32/43/80/721324380.db2.gz ZBUBRMLCLLDHDQ-UCLAIMLFSA-N 1 2 415.925 2.670 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001164880772 721324386 /nfs/dbraw/zinc/32/43/86/721324386.db2.gz ZBUBRMLCLLDHDQ-UCLAIMLFSA-N 1 2 415.925 2.670 20 0 HFADLO COc1cc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc(Cl)n1 ZINC001164786581 721438356 /nfs/dbraw/zinc/43/83/56/721438356.db2.gz VRWKSEJLNCUGPN-GHMZBOCLSA-N 1 2 401.870 2.708 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)N1CCCCC1)C2 ZINC001165008496 721695571 /nfs/dbraw/zinc/69/55/71/721695571.db2.gz KBDWFOPRIMIHIK-UHFFFAOYSA-N 1 2 411.554 2.550 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)N1CCCCC1)C2 ZINC001165008496 721695575 /nfs/dbraw/zinc/69/55/75/721695575.db2.gz KBDWFOPRIMIHIK-UHFFFAOYSA-N 1 2 411.554 2.550 20 0 HFADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc(COC5CCC5)cn4)CCO3)C2)c1 ZINC001164914957 721799496 /nfs/dbraw/zinc/79/94/96/721799496.db2.gz SBBMEUKOTAELCH-XMMPIXPASA-N 1 2 424.545 2.654 20 0 HFADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(COC5CCC5)cn4)CCO3)C2)c1 ZINC001164914957 721799497 /nfs/dbraw/zinc/79/94/97/721799497.db2.gz SBBMEUKOTAELCH-XMMPIXPASA-N 1 2 424.545 2.654 20 0 HFADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cccc(C5CC5)[nH+]4)CCO3)C2)cs1 ZINC001164926174 721834077 /nfs/dbraw/zinc/83/40/77/721834077.db2.gz QPBPIBIHNCJILH-NRFANRHFSA-N 1 2 400.548 2.832 20 0 HFADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H](CO)C3)c2c1C ZINC001165032933 721878820 /nfs/dbraw/zinc/87/88/20/721878820.db2.gz IGIVTAVAHCJDDJ-OAHLLOKOSA-N 1 2 418.563 2.981 20 0 HFADLO NC(=O)c1ccc(C(F)(F)N2CC[NH+](CCOc3ccccc3)CC2)nc1Cl ZINC001165041964 721952592 /nfs/dbraw/zinc/95/25/92/721952592.db2.gz FEYGIYCIQNZHKD-UHFFFAOYSA-N 1 2 410.852 2.580 20 0 HFADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(C)c1 ZINC001164946768 721972176 /nfs/dbraw/zinc/97/21/76/721972176.db2.gz VYBHNTZQDZSCHC-UHFFFAOYSA-N 1 2 422.529 2.538 20 0 HFADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(C)c1 ZINC001164946768 721972177 /nfs/dbraw/zinc/97/21/77/721972177.db2.gz VYBHNTZQDZSCHC-UHFFFAOYSA-N 1 2 422.529 2.538 20 0 HFADLO CCN(CC)c1cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)nc[nH+]1 ZINC001164987219 722184225 /nfs/dbraw/zinc/18/42/25/722184225.db2.gz HKJOPDCMJRTTEC-RTBURBONSA-N 1 2 416.595 2.958 20 0 HFADLO CCN(CC)c1cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)[nH+]cn1 ZINC001164987219 722184226 /nfs/dbraw/zinc/18/42/26/722184226.db2.gz HKJOPDCMJRTTEC-RTBURBONSA-N 1 2 416.595 2.958 20 0 HFADLO O=C1C[C@@]2(CCc3ccccc32)C(=O)N1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000790465243 1078044478 /nfs/dbraw/zinc/04/44/78/1078044478.db2.gz GBWIZIDBNOQXEP-HSZRJFAPSA-N 1 2 409.461 2.665 20 0 HFADLO COc1ccc(OC)c2c1CN(C(=O)Cn1c(C)[nH+]c3cc(F)c(F)cc31)C[C@@H]2O ZINC000793008716 1078047053 /nfs/dbraw/zinc/04/70/53/1078047053.db2.gz DARJPXUOVAYURM-KRWDZBQOSA-N 1 2 417.412 2.716 20 0 HFADLO Cc1cc(Br)cn2cc(CCNC(=O)NCc3cccnc3F)[nH+]c12 ZINC000793048288 1078055990 /nfs/dbraw/zinc/05/59/90/1078055990.db2.gz JDCJMFYAOPDVFU-UHFFFAOYSA-N 1 2 406.259 2.981 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2cccc(NC(=O)OC)c2)[C@@H]1c1c[nH+]cn1C ZINC000793120117 1078070136 /nfs/dbraw/zinc/07/01/36/1078070136.db2.gz KGRZLVZKWGSGAQ-VQIMIIECSA-N 1 2 413.478 2.927 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 ZINC000793240029 1078108046 /nfs/dbraw/zinc/10/80/46/1078108046.db2.gz BNVYMWJAMKZFRG-LDADJPATSA-N 1 2 406.471 2.919 20 0 HFADLO Cc1cc(C(=O)OCCc2c[nH+]cn2C)cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000793251763 1078110714 /nfs/dbraw/zinc/11/07/14/1078110714.db2.gz SXUJEDVSEJXDCV-UHFFFAOYSA-N 1 2 419.547 2.857 20 0 HFADLO C[C@@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC2(CCOCC2)O1 ZINC000790763662 1078113705 /nfs/dbraw/zinc/11/37/05/1078113705.db2.gz UZOWTZMYXQKACH-GOSISDBHSA-N 1 2 416.566 2.701 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2cc(CC(C)C)nn2C)[C@@H]1c1c[nH+]cn1C ZINC000793294878 1078120702 /nfs/dbraw/zinc/12/07/02/1078120702.db2.gz ZPSOIELFUKETAB-OXQOHEQNSA-N 1 2 400.527 2.681 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000793383126 1078161148 /nfs/dbraw/zinc/16/11/48/1078161148.db2.gz MFKBTIXJNIAUQV-YTQUADARSA-N 1 2 419.485 2.708 20 0 HFADLO Cc1c(S(=O)(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)cnn1C ZINC000793387853 1078163195 /nfs/dbraw/zinc/16/31/95/1078163195.db2.gz IKCNGULCDGJEAX-UHFFFAOYSA-N 1 2 419.551 2.734 20 0 HFADLO CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000793441522 1078172636 /nfs/dbraw/zinc/17/26/36/1078172636.db2.gz PTAKOGGZDIEELA-LBPRGKRZSA-N 1 2 420.489 2.929 20 0 HFADLO C[N@@H+]1CCN(C(=O)NCCCc2ccccc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793464339 1078180595 /nfs/dbraw/zinc/18/05/95/1078180595.db2.gz NRTQMYCTAJSKJO-KRWDZBQOSA-N 1 2 408.518 2.609 20 0 HFADLO C[N@H+]1CCN(C(=O)NCCCc2ccccc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793464339 1078180597 /nfs/dbraw/zinc/18/05/97/1078180597.db2.gz NRTQMYCTAJSKJO-KRWDZBQOSA-N 1 2 408.518 2.609 20 0 HFADLO CCOC(=O)C1(COC)CC[NH+](CN2CC[C@@H](CCc3ccccc3)C2=O)CC1 ZINC000793513581 1078196399 /nfs/dbraw/zinc/19/63/99/1078196399.db2.gz BKEQLLZAMKDPKD-HXUWFJFHSA-N 1 2 402.535 2.717 20 0 HFADLO CN(C(=O)c1ccncc1)c1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000793534062 1078205863 /nfs/dbraw/zinc/20/58/63/1078205863.db2.gz LJWNVQDHDAAPCY-JOCHJYFZSA-N 1 2 422.529 2.618 20 0 HFADLO CN(C(=O)c1ccncc1)c1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000793534062 1078205865 /nfs/dbraw/zinc/20/58/65/1078205865.db2.gz LJWNVQDHDAAPCY-JOCHJYFZSA-N 1 2 422.529 2.618 20 0 HFADLO C[C@@]12CC[N@H+](CN3C(=O)C(=O)N(C45CC6CC(CC(C6)C4)C5)C3=O)C[C@@H]1C2(F)F ZINC000793547510 1078207809 /nfs/dbraw/zinc/20/78/09/1078207809.db2.gz UYCRCQMUQHIKFV-BUKGGLNISA-N 1 2 407.461 2.681 20 0 HFADLO C[C@@]12CC[N@@H+](CN3C(=O)C(=O)N(C45CC6CC(CC(C6)C4)C5)C3=O)C[C@@H]1C2(F)F ZINC000793547510 1078207811 /nfs/dbraw/zinc/20/78/11/1078207811.db2.gz UYCRCQMUQHIKFV-BUKGGLNISA-N 1 2 407.461 2.681 20 0 HFADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cnn(Cc2ccccc2)c1Cl ZINC000793584160 1078214773 /nfs/dbraw/zinc/21/47/73/1078214773.db2.gz MTCMTTCHQNOAFU-GOSISDBHSA-N 1 2 410.971 2.879 20 0 HFADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cnn(Cc2ccccc2)c1Cl ZINC000793584160 1078214775 /nfs/dbraw/zinc/21/47/75/1078214775.db2.gz MTCMTTCHQNOAFU-GOSISDBHSA-N 1 2 410.971 2.879 20 0 HFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cnn(Cc3ccccc3)c2Cl)CC1 ZINC000793592202 1078217653 /nfs/dbraw/zinc/21/76/53/1078217653.db2.gz OYDUVIURGMHIEX-SFHVURJKSA-N 1 2 415.969 2.713 20 0 HFADLO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000793600053 1078220387 /nfs/dbraw/zinc/22/03/87/1078220387.db2.gz TVYZVRAIBQUNDT-INIZCTEOSA-N 1 2 400.426 2.751 20 0 HFADLO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cn2ncn(CC(F)(F)F)c2=S)C1 ZINC000793600053 1078220390 /nfs/dbraw/zinc/22/03/90/1078220390.db2.gz TVYZVRAIBQUNDT-INIZCTEOSA-N 1 2 400.426 2.751 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000793608587 1078227246 /nfs/dbraw/zinc/22/72/46/1078227246.db2.gz IHLDZOUKJQNQCM-RTWAWAEBSA-N 1 2 404.470 2.525 20 0 HFADLO C[N@@H+]1CCN(C(=O)c2cc(C3CC3)cnc2Cl)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793634780 1078235705 /nfs/dbraw/zinc/23/57/05/1078235705.db2.gz BAPZXLDHYUPKSU-OAHLLOKOSA-N 1 2 408.930 2.893 20 0 HFADLO C[N@H+]1CCN(C(=O)c2cc(C3CC3)cnc2Cl)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793634780 1078235707 /nfs/dbraw/zinc/23/57/07/1078235707.db2.gz BAPZXLDHYUPKSU-OAHLLOKOSA-N 1 2 408.930 2.893 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000793673417 1078248796 /nfs/dbraw/zinc/24/87/96/1078248796.db2.gz KTSSCPDMXKPJIL-ACJLOTCBSA-N 1 2 405.401 2.567 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NCC2([C@@H](O)c3ccccc3)CC2)[C@@H]1c1c[nH+]cn1C ZINC000793722398 1078265572 /nfs/dbraw/zinc/26/55/72/1078265572.db2.gz LKLIIXYWROJULR-QIJUGHKUSA-N 1 2 424.545 2.740 20 0 HFADLO CN(C)c1cc[nH+]c(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 ZINC000793807251 1078305490 /nfs/dbraw/zinc/30/54/90/1078305490.db2.gz FUFDSTWARKKLHB-ROUUACIJSA-N 1 2 405.458 2.678 20 0 HFADLO Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000793776985 1078308675 /nfs/dbraw/zinc/30/86/75/1078308675.db2.gz DCKGPTLCZABZPN-IBGZPJMESA-N 1 2 412.534 2.794 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000793811969 1078315092 /nfs/dbraw/zinc/31/50/92/1078315092.db2.gz NVSMYJZCHFHLKK-AVRDEDQJSA-N 1 2 409.571 2.783 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000793811969 1078315097 /nfs/dbraw/zinc/31/50/97/1078315097.db2.gz NVSMYJZCHFHLKK-AVRDEDQJSA-N 1 2 409.571 2.783 20 0 HFADLO CN(C)c1cccc([C@@H]2CCCN2C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000793870202 1078329036 /nfs/dbraw/zinc/32/90/36/1078329036.db2.gz XXKWPHMDOLQMEP-QFIPXVFZSA-N 1 2 406.530 2.548 20 0 HFADLO CCOC(=O)N1CCC([C@H](C)NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000793877387 1078332397 /nfs/dbraw/zinc/33/23/97/1078332397.db2.gz WUKPONUENUSHAA-LBPRGKRZSA-N 1 2 408.449 2.996 20 0 HFADLO Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)c(F)c1)CCC2 ZINC000793904704 1078334143 /nfs/dbraw/zinc/33/41/43/1078334143.db2.gz VPXIKTMSXIDVSB-INIZCTEOSA-N 1 2 413.478 2.586 20 0 HFADLO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)c(F)c1)CCC2 ZINC000793915698 1078336903 /nfs/dbraw/zinc/33/69/03/1078336903.db2.gz QOTLEIDKTJBSHL-GOSISDBHSA-N 1 2 424.480 2.599 20 0 HFADLO COCC1(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793979400 1078351109 /nfs/dbraw/zinc/35/11/09/1078351109.db2.gz BTOBYOIRZFVNFR-GOSISDBHSA-N 1 2 419.522 2.725 20 0 HFADLO C[C@@H]1CCC[C@H](CNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000793945451 1078354208 /nfs/dbraw/zinc/35/42/08/1078354208.db2.gz YESAIJCTLASONY-MSOLQXFVSA-N 1 2 400.567 2.780 20 0 HFADLO C[C@H]1CCC[C@H](CNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000793945455 1078354216 /nfs/dbraw/zinc/35/42/16/1078354216.db2.gz YESAIJCTLASONY-ROUUACIJSA-N 1 2 400.567 2.780 20 0 HFADLO COc1c[nH+]c(N2CCC(n3cccn3)CC2)nc1N1CCC(n2cccn2)CC1 ZINC000804388542 1078447566 /nfs/dbraw/zinc/44/75/66/1078447566.db2.gz YDANNZCKTGPHTN-UHFFFAOYSA-N 1 2 408.510 2.561 20 0 HFADLO CN1Cc2c(cccc2NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1=O ZINC001129800418 1078476884 /nfs/dbraw/zinc/47/68/84/1078476884.db2.gz AXNCCXWAGCVJLN-UHFFFAOYSA-N 1 2 403.442 2.750 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC000804436963 1078480797 /nfs/dbraw/zinc/48/07/97/1078480797.db2.gz UTYQCIPPGHKFLT-AZUAARDMSA-N 1 2 420.513 2.849 20 0 HFADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804437456 1078482335 /nfs/dbraw/zinc/48/23/35/1078482335.db2.gz YZLPTWGKXXDPPG-KSSFIOAISA-N 1 2 420.916 2.968 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)[C@H](OCC2CCCC2)c2ccccc2)CC1 ZINC001129822665 1078517451 /nfs/dbraw/zinc/51/74/51/1078517451.db2.gz HDQRYYAHMPERPE-JOCHJYFZSA-N 1 2 404.551 2.740 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)CC1 ZINC001129822818 1078517528 /nfs/dbraw/zinc/51/75/28/1078517528.db2.gz MXOUBRXMLLYGID-UHFFFAOYSA-N 1 2 414.550 2.723 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC001129823099 1078517948 /nfs/dbraw/zinc/51/79/48/1078517948.db2.gz SMRJHEAMXKEMLS-UHFFFAOYSA-N 1 2 417.550 2.625 20 0 HFADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)c2ccccc2Cl)C1 ZINC000804519631 1078560310 /nfs/dbraw/zinc/56/03/10/1078560310.db2.gz AUSVHSJQWLUKOA-HNNXBMFYSA-N 1 2 402.926 2.874 20 0 HFADLO O=C(CSc1n[nH]c(=S)s1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000747211920 1078588350 /nfs/dbraw/zinc/58/83/50/1078588350.db2.gz RZBFFZWRMAUVFG-UHFFFAOYSA-N 1 2 416.544 2.978 20 0 HFADLO CC(=O)N(C)c1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cn1 ZINC001129911290 1078581945 /nfs/dbraw/zinc/58/19/45/1078581945.db2.gz ACWOBAWPGKPKOB-UHFFFAOYSA-N 1 2 406.446 2.542 20 0 HFADLO C[C@@H]1CCC[C@H](OCC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000804762438 1078614571 /nfs/dbraw/zinc/61/45/71/1078614571.db2.gz SPBLSGFGFIBCAH-QYZOEREBSA-N 1 2 409.571 2.735 20 0 HFADLO CCn1c(SCC(=O)NCCc2cn(C)c[nH+]2)nnc1-c1ccc(Cl)cc1 ZINC001129648898 1078638558 /nfs/dbraw/zinc/63/85/58/1078638558.db2.gz DIMBRLJNCYUZGN-UHFFFAOYSA-N 1 2 404.927 2.803 20 0 HFADLO C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC001129649042 1078639155 /nfs/dbraw/zinc/63/91/55/1078639155.db2.gz MEFJOEFHHKONRH-MRXNPFEDSA-N 1 2 424.526 2.533 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ncnc4cccc(F)c43)C2)CC1 ZINC000804835445 1078677739 /nfs/dbraw/zinc/67/77/39/1078677739.db2.gz UYOVBVFIRREVAN-OAHLLOKOSA-N 1 2 401.486 2.900 20 0 HFADLO CC[C@H](C(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000804876601 1078699635 /nfs/dbraw/zinc/69/96/35/1078699635.db2.gz IJXNZKFIENOIHN-XUVXKRRUSA-N 1 2 409.571 2.926 20 0 HFADLO CC[C@H](C(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000804876601 1078699644 /nfs/dbraw/zinc/69/96/44/1078699644.db2.gz IJXNZKFIENOIHN-XUVXKRRUSA-N 1 2 409.571 2.926 20 0 HFADLO COC(=O)c1cc(C)nc(Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC000804646392 1078700717 /nfs/dbraw/zinc/70/07/17/1078700717.db2.gz BALIVNSTKJPPTO-UHFFFAOYSA-N 1 2 420.311 2.830 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCCc3ccsc3)C2)CC1 ZINC000804907497 1078729874 /nfs/dbraw/zinc/72/98/74/1078729874.db2.gz YNUVCBINDLSERZ-QGZVFWFLSA-N 1 2 408.568 2.627 20 0 HFADLO CCc1ccc([C@@H](O)CNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000804900627 1078755471 /nfs/dbraw/zinc/75/54/71/1078755471.db2.gz ZYPJQIJWBJSJQL-QFIPXVFZSA-N 1 2 424.545 2.685 20 0 HFADLO CCCCOCCCNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804941569 1078767638 /nfs/dbraw/zinc/76/76/38/1078767638.db2.gz WPPXVYSMEUPMHJ-SFHVURJKSA-N 1 2 412.575 2.530 20 0 HFADLO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)OC[C@@H]4CCCO4)CC3)n2)cc1 ZINC000804949697 1078778225 /nfs/dbraw/zinc/77/82/25/1078778225.db2.gz YDRZLPTWRVCLMS-IBGZPJMESA-N 1 2 414.506 2.911 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc(Cl)nc3)C2)CC1 ZINC000804934299 1078790088 /nfs/dbraw/zinc/79/00/88/1078790088.db2.gz SCBSCOYKWJYDSO-MRXNPFEDSA-N 1 2 423.945 2.572 20 0 HFADLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000805162558 1078925752 /nfs/dbraw/zinc/92/57/52/1078925752.db2.gz DRWKKWOHSGEEHA-GRDNDAEWSA-N 1 2 419.913 2.956 20 0 HFADLO CCCC[C@@H](COC)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805135868 1078932803 /nfs/dbraw/zinc/93/28/03/1078932803.db2.gz YXJJRXKGZMZFQO-ROUUACIJSA-N 1 2 412.575 2.528 20 0 HFADLO C[C@H](CC(F)(F)F)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805292201 1079013857 /nfs/dbraw/zinc/01/38/57/1079013857.db2.gz JWLIFSBQGVHNSC-KGLIPLIRSA-N 1 2 408.465 2.664 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCNC(=O)CCCc1ccccc1 ZINC001130148940 1079031818 /nfs/dbraw/zinc/03/18/18/1079031818.db2.gz WTQBFAVZQYFIMM-UHFFFAOYSA-N 1 2 414.456 2.878 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCC(C)(C)C(F)(F)F)C2)CC1 ZINC000805458245 1079082468 /nfs/dbraw/zinc/08/24/68/1079082468.db2.gz UGGYZZJPNZDMHL-AWEZNQCLSA-N 1 2 422.492 2.912 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000805469713 1079088949 /nfs/dbraw/zinc/08/89/49/1079088949.db2.gz OVTSDVSFPBSPIJ-IAGOWNOFSA-N 1 2 415.317 2.921 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000805469713 1079088955 /nfs/dbraw/zinc/08/89/55/1079088955.db2.gz OVTSDVSFPBSPIJ-IAGOWNOFSA-N 1 2 415.317 2.921 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000805469715 1079089118 /nfs/dbraw/zinc/08/91/18/1079089118.db2.gz OVTSDVSFPBSPIJ-SJORKVTESA-N 1 2 415.317 2.921 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000805469715 1079089125 /nfs/dbraw/zinc/08/91/25/1079089125.db2.gz OVTSDVSFPBSPIJ-SJORKVTESA-N 1 2 415.317 2.921 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000805473289 1079089591 /nfs/dbraw/zinc/08/95/91/1079089591.db2.gz FMCFVYLRUVEUTC-LAUBAEHRSA-N 1 2 412.486 2.857 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000805473289 1079089598 /nfs/dbraw/zinc/08/95/98/1079089598.db2.gz FMCFVYLRUVEUTC-LAUBAEHRSA-N 1 2 412.486 2.857 20 0 HFADLO CC(=O)c1cccc(OCc2cc(C(=O)NC[C@H](C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)no2)c1 ZINC001130259935 1079149588 /nfs/dbraw/zinc/14/95/88/1079149588.db2.gz PNNFLQNVTRKDRU-HRCADAONSA-N 1 2 415.490 2.684 20 0 HFADLO CC(=O)c1cccc(OCc2cc(C(=O)NC[C@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)no2)c1 ZINC001130259935 1079149594 /nfs/dbraw/zinc/14/95/94/1079149594.db2.gz PNNFLQNVTRKDRU-HRCADAONSA-N 1 2 415.490 2.684 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1nc2c(s1)C(=O)NC(C)(C)C2 ZINC001130338861 1079225386 /nfs/dbraw/zinc/22/53/86/1079225386.db2.gz TVUZLQYPFWLBBW-UHFFFAOYSA-N 1 2 405.430 2.783 20 0 HFADLO CC[C@H](C)C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C(=O)OC ZINC001130360731 1079230353 /nfs/dbraw/zinc/23/03/53/1079230353.db2.gz YBOBKZBXSFGUNQ-MAUKXSAKSA-N 1 2 400.479 2.620 20 0 HFADLO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000805788266 1079255025 /nfs/dbraw/zinc/25/50/25/1079255025.db2.gz DEJVCOKLYJCSAZ-XSWJXKHESA-N 1 2 418.456 2.602 20 0 HFADLO CCOc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000805788266 1079255026 /nfs/dbraw/zinc/25/50/26/1079255026.db2.gz DEJVCOKLYJCSAZ-XSWJXKHESA-N 1 2 418.456 2.602 20 0 HFADLO COC(=O)c1cccc(OCC[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788836 1079256508 /nfs/dbraw/zinc/25/65/08/1079256508.db2.gz VXCWTQFLXWYQGK-XEZPLFJOSA-N 1 2 402.413 2.629 20 0 HFADLO COC(=O)c1cccc(OCC[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788836 1079256511 /nfs/dbraw/zinc/25/65/11/1079256511.db2.gz VXCWTQFLXWYQGK-XEZPLFJOSA-N 1 2 402.413 2.629 20 0 HFADLO CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000805836048 1079275314 /nfs/dbraw/zinc/27/53/14/1079275314.db2.gz ZPMHALCFYAKQPH-YSJWXEPDSA-N 1 2 416.522 2.610 20 0 HFADLO CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000805836048 1079275320 /nfs/dbraw/zinc/27/53/20/1079275320.db2.gz ZPMHALCFYAKQPH-YSJWXEPDSA-N 1 2 416.522 2.610 20 0 HFADLO Cc1nc(C[NH+]2CCC(C(=O)OCCN3C(=O)COc4ccccc43)CC2)cs1 ZINC000805912100 1079329836 /nfs/dbraw/zinc/32/98/36/1079329836.db2.gz PZBKLBBVEFKUMR-UHFFFAOYSA-N 1 2 415.515 2.632 20 0 HFADLO C[C@@H](OC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C(=O)NCc1ccccn1 ZINC000805955373 1079373009 /nfs/dbraw/zinc/37/30/09/1079373009.db2.gz XFYWAVICKIZKGX-RTBURBONSA-N 1 2 409.530 2.973 20 0 HFADLO COc1ccc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1F ZINC000806209037 1079493825 /nfs/dbraw/zinc/49/38/25/1079493825.db2.gz MXAFVJWZCAYZPK-INIZCTEOSA-N 1 2 422.501 2.993 20 0 HFADLO C[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1OC(F)F ZINC000787377085 1076779218 /nfs/dbraw/zinc/77/92/18/1076779218.db2.gz YRFLZWGDFZRYCT-KBPBESRZSA-N 1 2 406.433 2.605 20 0 HFADLO Cc1cccc(OCCCNC(=O)C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787353741 1076793661 /nfs/dbraw/zinc/79/36/61/1076793661.db2.gz ZJOPEZIMGYVZSM-GOSISDBHSA-N 1 2 405.539 2.869 20 0 HFADLO Cc1cccc(OCCCNC(=O)C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787353741 1076793663 /nfs/dbraw/zinc/79/36/63/1076793663.db2.gz ZJOPEZIMGYVZSM-GOSISDBHSA-N 1 2 405.539 2.869 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000787354082 1076793705 /nfs/dbraw/zinc/79/37/05/1076793705.db2.gz BCFWTSZPCNUYPC-MRXNPFEDSA-N 1 2 411.930 2.824 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000787354082 1076793707 /nfs/dbraw/zinc/79/37/07/1076793707.db2.gz BCFWTSZPCNUYPC-MRXNPFEDSA-N 1 2 411.930 2.824 20 0 HFADLO COc1ccnc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1 ZINC000787385414 1076803709 /nfs/dbraw/zinc/80/37/09/1076803709.db2.gz ZXOJSQYYYJFTTO-UHFFFAOYSA-N 1 2 405.296 2.857 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NCc3ccn4cc[nH+]c4c3)[nH]n2)C1 ZINC000787437945 1076810898 /nfs/dbraw/zinc/81/08/98/1076810898.db2.gz VAUMMDDFXXIHGL-HNNXBMFYSA-N 1 2 410.478 2.712 20 0 HFADLO CN(C)c1cc[nH+]c(NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)c1 ZINC000787519310 1076844737 /nfs/dbraw/zinc/84/47/37/1076844737.db2.gz RLSQOTUNQYDGMJ-CYBMUJFWSA-N 1 2 400.483 2.847 20 0 HFADLO Cc1nc(NCc2cccc(C(=O)N[C@@H](C)[C@H](O)c3ccc4c(c3)OCO4)c2)cc[nH+]1 ZINC000787733561 1076934885 /nfs/dbraw/zinc/93/48/85/1076934885.db2.gz WWCPVKYXSHWPSD-FPTDNZKUSA-N 1 2 420.469 2.978 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1C ZINC000787855739 1076982786 /nfs/dbraw/zinc/98/27/86/1076982786.db2.gz PYHHVQHIOYEONB-CYBMUJFWSA-N 1 2 407.417 2.802 20 0 HFADLO C[C@H](NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC(F)F)c1 ZINC000787864874 1076986657 /nfs/dbraw/zinc/98/66/57/1076986657.db2.gz RHDKGRCFWAYAJT-AWEZNQCLSA-N 1 2 414.412 2.967 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3cnc(Cl)cn3)cc2Br)CC1 ZINC000787926893 1077000425 /nfs/dbraw/zinc/00/04/25/1077000425.db2.gz ZDOOUCPQWUGCSF-UHFFFAOYSA-N 1 2 410.703 2.897 20 0 HFADLO CN(C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C1CCCC1 ZINC000787895221 1077002782 /nfs/dbraw/zinc/00/27/82/1077002782.db2.gz AEDOBEXIYUDAPV-UHFFFAOYSA-N 1 2 423.355 2.540 20 0 HFADLO CC(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)Cc2ccco2)[C@@H]1c1ccc(F)c(F)c1 ZINC000787938274 1077016798 /nfs/dbraw/zinc/01/67/98/1077016798.db2.gz GENJYBRLVJWXAL-XMCHAPAWSA-N 1 2 419.472 2.945 20 0 HFADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)Cc2ccco2)[C@@H]1c1ccc(F)c(F)c1 ZINC000787938274 1077016806 /nfs/dbraw/zinc/01/68/06/1077016806.db2.gz GENJYBRLVJWXAL-XMCHAPAWSA-N 1 2 419.472 2.945 20 0 HFADLO Cc1cccnc1OC1CC[NH+](C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000788004602 1077026021 /nfs/dbraw/zinc/02/60/21/1077026021.db2.gz RETHIHLPCAJDFP-NRFANRHFSA-N 1 2 404.532 2.544 20 0 HFADLO COCC[S@](=O)Cc1cccc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000746724661 1077038761 /nfs/dbraw/zinc/03/87/61/1077038761.db2.gz MCKPAIFNUJDULK-LJAQVGFWSA-N 1 2 414.531 2.902 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000788153322 1077069913 /nfs/dbraw/zinc/06/99/13/1077069913.db2.gz GIJVGHMLBBVIBP-FSSWDIPSSA-N 1 2 419.481 2.924 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000788153320 1077070000 /nfs/dbraw/zinc/07/00/00/1077070000.db2.gz GIJVGHMLBBVIBP-FKBYEOEOSA-N 1 2 419.481 2.924 20 0 HFADLO O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788239200 1077084658 /nfs/dbraw/zinc/08/46/58/1077084658.db2.gz GIIRVRFGCGPUSR-QGZVFWFLSA-N 1 2 405.506 2.649 20 0 HFADLO O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788239200 1077084662 /nfs/dbraw/zinc/08/46/62/1077084662.db2.gz GIIRVRFGCGPUSR-QGZVFWFLSA-N 1 2 405.506 2.649 20 0 HFADLO CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000788243377 1077085776 /nfs/dbraw/zinc/08/57/76/1077085776.db2.gz MCGSGQKFYSHNNS-MRXNPFEDSA-N 1 2 416.547 2.653 20 0 HFADLO CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000788243377 1077085780 /nfs/dbraw/zinc/08/57/80/1077085780.db2.gz MCGSGQKFYSHNNS-MRXNPFEDSA-N 1 2 416.547 2.653 20 0 HFADLO O=C(CNC(=O)COc1ccccc1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788246264 1077086254 /nfs/dbraw/zinc/08/62/54/1077086254.db2.gz QRODTRBLDMTQCG-QGZVFWFLSA-N 1 2 410.518 2.626 20 0 HFADLO O=C(CNC(=O)COc1ccccc1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788246264 1077086258 /nfs/dbraw/zinc/08/62/58/1077086258.db2.gz QRODTRBLDMTQCG-QGZVFWFLSA-N 1 2 410.518 2.626 20 0 HFADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCSc3c(F)cccc32)C1 ZINC000788463103 1077167767 /nfs/dbraw/zinc/16/77/67/1077167767.db2.gz KXECFOPKWWXODO-CJNGLKHVSA-N 1 2 402.495 2.619 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2csc(-c3ccccc3)n2)c1C ZINC000788465329 1077168965 /nfs/dbraw/zinc/16/89/65/1077168965.db2.gz VMGZOPIPULMIFF-UHFFFAOYSA-N 1 2 410.499 2.763 20 0 HFADLO O=C(C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000788473781 1077171106 /nfs/dbraw/zinc/17/11/06/1077171106.db2.gz WRPCGOOOJMDLHZ-JOCHJYFZSA-N 1 2 420.517 2.857 20 0 HFADLO CC(C)Oc1cccc([C@H](NC2CC[NH+](CCS(C)(=O)=O)CC2)C(F)F)c1 ZINC000788589396 1077214734 /nfs/dbraw/zinc/21/47/34/1077214734.db2.gz BGQMRVQZXUGOOP-SFHVURJKSA-N 1 2 404.523 2.879 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)c1Cl ZINC000788613277 1077227441 /nfs/dbraw/zinc/22/74/41/1077227441.db2.gz TUORKFRLPYTJEQ-UHFFFAOYSA-N 1 2 403.913 2.719 20 0 HFADLO COc1ccc(CCS(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cc1 ZINC000788680792 1077248991 /nfs/dbraw/zinc/24/89/91/1077248991.db2.gz CVXFTUPACRVTRW-HXUWFJFHSA-N 1 2 420.600 2.775 20 0 HFADLO COc1ccc(CCS(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000788680792 1077248997 /nfs/dbraw/zinc/24/89/97/1077248997.db2.gz CVXFTUPACRVTRW-HXUWFJFHSA-N 1 2 420.600 2.775 20 0 HFADLO CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788751324 1077276232 /nfs/dbraw/zinc/27/62/32/1077276232.db2.gz SOXWFKMIEHHLTE-NRFANRHFSA-N 1 2 403.486 2.815 20 0 HFADLO C[C@@H]1C[N@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000788769197 1077282870 /nfs/dbraw/zinc/28/28/70/1077282870.db2.gz ICQCCDLHPPWVEV-NEWSRXKRSA-N 1 2 415.534 2.797 20 0 HFADLO C[C@@H]1C[N@@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000788769197 1077282875 /nfs/dbraw/zinc/28/28/75/1077282875.db2.gz ICQCCDLHPPWVEV-NEWSRXKRSA-N 1 2 415.534 2.797 20 0 HFADLO CN(C(=O)OC(C)(C)C)C1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000788772277 1077295466 /nfs/dbraw/zinc/29/54/66/1077295466.db2.gz PUWQWOMUBQWJBZ-GOSISDBHSA-N 1 2 415.534 2.893 20 0 HFADLO C[N@H+](CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000788773054 1077296041 /nfs/dbraw/zinc/29/60/41/1077296041.db2.gz WNZYZEZTWCOJIH-QZTJIDSGSA-N 1 2 401.507 2.503 20 0 HFADLO C[N@@H+](CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000788773054 1077296045 /nfs/dbraw/zinc/29/60/45/1077296045.db2.gz WNZYZEZTWCOJIH-QZTJIDSGSA-N 1 2 401.507 2.503 20 0 HFADLO O=C(CC1CCCC1)NC1CC[NH+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1 ZINC000788773239 1077296086 /nfs/dbraw/zinc/29/60/86/1077296086.db2.gz ULVDZAJHECILGW-FQEVSTJZSA-N 1 2 411.546 2.723 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N[C@H]3CCCN(C(=O)OC(C)(C)C)C3)[nH+]c12 ZINC000746766813 1077311216 /nfs/dbraw/zinc/31/12/16/1077311216.db2.gz QTJRLWJNQOMKME-INIZCTEOSA-N 1 2 401.511 2.884 20 0 HFADLO Cc1c(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cnn1-c1ccc(=O)[nH]n1 ZINC000791271358 1077354888 /nfs/dbraw/zinc/35/48/88/1077354888.db2.gz HSROKUAZJLACEC-OAHLLOKOSA-N 1 2 421.505 2.734 20 0 HFADLO Cc1c(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cnn1-c1ccc(=O)[nH]n1 ZINC000791271358 1077354897 /nfs/dbraw/zinc/35/48/97/1077354897.db2.gz HSROKUAZJLACEC-OAHLLOKOSA-N 1 2 421.505 2.734 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000791306157 1077366745 /nfs/dbraw/zinc/36/67/45/1077366745.db2.gz OQPYMXQKFWNGMP-UHFFFAOYSA-N 1 2 411.483 2.860 20 0 HFADLO Cc1cc(N2CCN(C(=O)COC(=O)c3nc(Cl)cs3)CC2)nc(C(C)C)[nH+]1 ZINC000789217803 1077447605 /nfs/dbraw/zinc/44/76/05/1077447605.db2.gz GBDZZCQFYCLNFA-UHFFFAOYSA-N 1 2 423.926 2.524 20 0 HFADLO CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)OCc2cc[nH+]c(N)c2)c1 ZINC000791521944 1077454096 /nfs/dbraw/zinc/45/40/96/1077454096.db2.gz UZNYUCHREMJSIC-UHFFFAOYSA-N 1 2 403.504 2.974 20 0 HFADLO CC[C@H](C)CC(=O)OCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000791496345 1077461474 /nfs/dbraw/zinc/46/14/74/1077461474.db2.gz BEMSXZPWICOZBW-INIZCTEOSA-N 1 2 406.523 2.636 20 0 HFADLO O=C(COC(=O)[C@H]1CCCc2c(O)cccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000789244644 1077469415 /nfs/dbraw/zinc/46/94/15/1077469415.db2.gz JKTVGPBSKIHWPL-IBGZPJMESA-N 1 2 414.527 2.761 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000791545407 1077472392 /nfs/dbraw/zinc/47/23/92/1077472392.db2.gz DHJRQDXFQRIQQO-OAQYLSRUSA-N 1 2 406.442 2.699 20 0 HFADLO COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)cc1 ZINC001170100548 1077494195 /nfs/dbraw/zinc/49/41/95/1077494195.db2.gz DJTMHXOTLUHGLQ-GOSISDBHSA-N 1 2 410.478 2.771 20 0 HFADLO CC(C)c1nnc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)o1 ZINC001086600540 1077507318 /nfs/dbraw/zinc/50/73/18/1077507318.db2.gz ZIGKZUJBIVKZOC-OSFNYYGPSA-N 1 2 422.529 2.701 20 0 HFADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)o1 ZINC001086600540 1077507319 /nfs/dbraw/zinc/50/73/19/1077507319.db2.gz ZIGKZUJBIVKZOC-OSFNYYGPSA-N 1 2 422.529 2.701 20 0 HFADLO Nc1cc(COC(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc[nH+]1 ZINC000791703190 1077533234 /nfs/dbraw/zinc/53/32/34/1077533234.db2.gz QLWVRXCOEGBMTJ-AWEZNQCLSA-N 1 2 405.401 2.861 20 0 HFADLO CCCCNC(=O)C1CC[NH+](CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)CC1 ZINC000789423785 1077553924 /nfs/dbraw/zinc/55/39/24/1077553924.db2.gz HVXJHYDPMTVYGC-QFIPXVFZSA-N 1 2 406.571 2.709 20 0 HFADLO CCN(CC)C(=O)C1CC[NH+](CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)CC1 ZINC000789425423 1077556199 /nfs/dbraw/zinc/55/61/99/1077556199.db2.gz PKBZNJNSLJLXED-JOCHJYFZSA-N 1 2 406.571 2.661 20 0 HFADLO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000746818422 1077571650 /nfs/dbraw/zinc/57/16/50/1077571650.db2.gz BDMMTVDNPVDKKJ-GOSISDBHSA-N 1 2 405.539 2.713 20 0 HFADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(N4CCCCC4)c3)[nH+]c12 ZINC000746815088 1077581099 /nfs/dbraw/zinc/58/10/99/1077581099.db2.gz ZRXMMLFRNAQGQR-UHFFFAOYSA-N 1 2 405.502 2.930 20 0 HFADLO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000791845553 1077582458 /nfs/dbraw/zinc/58/24/58/1077582458.db2.gz NFJSVOFLVKZIRV-OAHLLOKOSA-N 1 2 421.542 2.994 20 0 HFADLO O=C(OC[C@H]1CCCS(=O)(=O)C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000791902564 1077590857 /nfs/dbraw/zinc/59/08/57/1077590857.db2.gz UTFQHTVUBWSWCF-SJLPKXTDSA-N 1 2 419.465 2.809 20 0 HFADLO O=C(OC[C@H]1CCCS(=O)(=O)C1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000791902564 1077590863 /nfs/dbraw/zinc/59/08/63/1077590863.db2.gz UTFQHTVUBWSWCF-SJLPKXTDSA-N 1 2 419.465 2.809 20 0 HFADLO COc1cc2cnc(N(C(N)=[NH2+])c3ccc(N4CCOCC4)cc3)nc2cc1OC ZINC001170161251 1077607170 /nfs/dbraw/zinc/60/71/70/1077607170.db2.gz FVZVGXQQRHZXLV-UHFFFAOYSA-N 1 2 408.462 2.515 20 0 HFADLO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000746819758 1077607137 /nfs/dbraw/zinc/60/71/37/1077607137.db2.gz YFYZXUFDCQNCRG-KRWDZBQOSA-N 1 2 405.539 2.638 20 0 HFADLO CCc1nc(NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)sc1C ZINC000789549214 1077639538 /nfs/dbraw/zinc/63/95/38/1077639538.db2.gz OINPRRISOMWPQU-UHFFFAOYSA-N 1 2 415.563 2.804 20 0 HFADLO Cc1ccc(-c2nc(SCC(=O)OCCC[NH+]3CCN(C(C)C)CC3)n[nH]2)cc1 ZINC000792036597 1077687626 /nfs/dbraw/zinc/68/76/26/1077687626.db2.gz PZUFQJYFGRFCOI-UHFFFAOYSA-N 1 2 417.579 2.832 20 0 HFADLO Cc1c(COC(C)(C)C)cccc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000789597295 1077702500 /nfs/dbraw/zinc/70/25/00/1077702500.db2.gz QHECBNLGNSUSCF-UHFFFAOYSA-N 1 2 406.874 2.616 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(-c3ccccc3)cc2F)[nH+]1 ZINC000789601221 1077704319 /nfs/dbraw/zinc/70/43/19/1077704319.db2.gz XTPNSUAJHKRXLC-UHFFFAOYSA-N 1 2 400.801 2.799 20 0 HFADLO CC(C)(C)c1nc2ccc(NC(=O)C(=O)Nc3nc(Cl)cc(NN)[nH+]3)cc2s1 ZINC000789601725 1077705313 /nfs/dbraw/zinc/70/53/13/1077705313.db2.gz USQAIPIMAVKMHO-UHFFFAOYSA-N 1 2 419.898 2.900 20 0 HFADLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000792200986 1077743196 /nfs/dbraw/zinc/74/31/96/1077743196.db2.gz ZBBVMSGYJXXKLB-HNNXBMFYSA-N 1 2 403.267 2.941 20 0 HFADLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000792200986 1077743198 /nfs/dbraw/zinc/74/31/98/1077743198.db2.gz ZBBVMSGYJXXKLB-HNNXBMFYSA-N 1 2 403.267 2.941 20 0 HFADLO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789767997 1077769838 /nfs/dbraw/zinc/76/98/38/1077769838.db2.gz GLPAQIQFRHOCSK-LJQANCHMSA-N 1 2 422.316 2.721 20 0 HFADLO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789767997 1077769844 /nfs/dbraw/zinc/76/98/44/1077769844.db2.gz GLPAQIQFRHOCSK-LJQANCHMSA-N 1 2 422.316 2.721 20 0 HFADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000792250071 1077779003 /nfs/dbraw/zinc/77/90/03/1077779003.db2.gz BQLLEPFAYBKQJM-IRXDYDNUSA-N 1 2 420.554 2.997 20 0 HFADLO CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000792264265 1077786162 /nfs/dbraw/zinc/78/61/62/1077786162.db2.gz PAPJGPFSFRMLLX-KRWDZBQOSA-N 1 2 420.554 2.826 20 0 HFADLO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000746853061 1077786559 /nfs/dbraw/zinc/78/65/59/1077786559.db2.gz SBXDLVFZJOLGTF-UYAOXDASSA-N 1 2 419.566 2.549 20 0 HFADLO O=C(Nc1ccc(N2CCCC2)c(Cl)c1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789795766 1077802283 /nfs/dbraw/zinc/80/22/83/1077802283.db2.gz HLBUGTGHIFPAAB-QGZVFWFLSA-N 1 2 414.893 2.954 20 0 HFADLO Cc1cc(NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1N(C)C ZINC000789796849 1077802950 /nfs/dbraw/zinc/80/29/50/1077802950.db2.gz LJNGTRDFQGNMCU-UHFFFAOYSA-N 1 2 409.534 2.939 20 0 HFADLO CCc1ccc([C@H]2C[N@H+](CCCN3C(=O)CS/C3=C/C(=O)OC)CCO2)cc1 ZINC000792360194 1077814549 /nfs/dbraw/zinc/81/45/49/1077814549.db2.gz DPPVGSOBUXWHBR-JZQBQCRLSA-N 1 2 404.532 2.602 20 0 HFADLO CCc1ccc([C@H]2C[N@@H+](CCCN3C(=O)CS/C3=C/C(=O)OC)CCO2)cc1 ZINC000792360194 1077814557 /nfs/dbraw/zinc/81/45/57/1077814557.db2.gz DPPVGSOBUXWHBR-JZQBQCRLSA-N 1 2 404.532 2.602 20 0 HFADLO O=C(c1cnnn1-c1cccc(F)c1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000789880503 1077833755 /nfs/dbraw/zinc/83/37/55/1077833755.db2.gz CPBHDLCITPIMKN-UHFFFAOYSA-N 1 2 416.460 2.913 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cnnn3-c3cccc(F)c3)CC2)cc1 ZINC000789960222 1077870426 /nfs/dbraw/zinc/87/04/26/1077870426.db2.gz MXCAZRXJWCYFGB-UHFFFAOYSA-N 1 2 408.481 2.871 20 0 HFADLO C[C@@H]([NH2+]CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1nnnn1C1CC1 ZINC000792473458 1077873188 /nfs/dbraw/zinc/87/31/88/1077873188.db2.gz MJFPPXMFFFFMGM-IIBYNOLFSA-N 1 2 402.502 2.833 20 0 HFADLO CCc1c(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cnn1-c1ccccc1C ZINC000792486502 1077878898 /nfs/dbraw/zinc/87/88/98/1077878898.db2.gz BVSCOGIPZLPRJG-UHFFFAOYSA-N 1 2 423.521 2.916 20 0 HFADLO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000792555500 1077902153 /nfs/dbraw/zinc/90/21/53/1077902153.db2.gz TZFIKWGDYAIALQ-CQSZACIVSA-N 1 2 414.531 2.787 20 0 HFADLO CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001170257443 1077919853 /nfs/dbraw/zinc/91/98/53/1077919853.db2.gz BGFUAXMWNXSKNL-CQSZACIVSA-N 1 2 419.572 2.913 20 0 HFADLO CC(C)CN1C[C@@]23C[N@@H+]([C@@H](C)Cc4ccccc4Cl)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001170271999 1077925289 /nfs/dbraw/zinc/92/52/89/1077925289.db2.gz FQEYQRCONXBNCK-RKOGWWSCSA-N 1 2 412.983 2.784 20 0 HFADLO CC(C)CN1C[C@@]23C[N@H+]([C@@H](C)Cc4ccccc4Cl)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001170271999 1077925290 /nfs/dbraw/zinc/92/52/90/1077925290.db2.gz FQEYQRCONXBNCK-RKOGWWSCSA-N 1 2 412.983 2.784 20 0 HFADLO C[C@@]1(c2ccccc2)CCN(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1=O ZINC000780429223 1077927452 /nfs/dbraw/zinc/92/74/52/1077927452.db2.gz YREZNXLZUJILTJ-VWLOTQADSA-N 1 2 421.541 2.723 20 0 HFADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001170281258 1077936902 /nfs/dbraw/zinc/93/69/02/1077936902.db2.gz ZTHRRDOHALFYBB-OLZOCXBDSA-N 1 2 403.832 2.930 20 0 HFADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001170281258 1077936904 /nfs/dbraw/zinc/93/69/04/1077936904.db2.gz ZTHRRDOHALFYBB-OLZOCXBDSA-N 1 2 403.832 2.930 20 0 HFADLO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790132634 1077952645 /nfs/dbraw/zinc/95/26/45/1077952645.db2.gz PQUATYPIMPJVQU-UYAOXDASSA-N 1 2 405.539 2.507 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1N(C)C(=O)c1cccs1 ZINC000790135377 1077953641 /nfs/dbraw/zinc/95/36/41/1077953641.db2.gz IYZUFDDBFLPINO-INIZCTEOSA-N 1 2 401.532 2.817 20 0 HFADLO O=C(COC(=O)[C@@H]1CCC(=O)c2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000792649513 1077957903 /nfs/dbraw/zinc/95/79/03/1077957903.db2.gz WJUKXCIZHGRLLQ-OAQYLSRUSA-N 1 2 422.481 2.761 20 0 HFADLO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000790154850 1077960198 /nfs/dbraw/zinc/96/01/98/1077960198.db2.gz LUIRAHGMFQDOHP-MRXNPFEDSA-N 1 2 415.906 2.962 20 0 HFADLO O=C(COC(=O)c1cc(Cc2ccccc2)[nH]n1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000792794693 1077993865 /nfs/dbraw/zinc/99/38/65/1077993865.db2.gz YYNOGWSKZPCPPX-UHFFFAOYSA-N 1 2 424.526 2.563 20 0 HFADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000792771530 1077997397 /nfs/dbraw/zinc/99/73/97/1077997397.db2.gz ZMGHGULSCLWVAA-BVGQSLNGSA-N 1 2 404.935 2.960 20 0 HFADLO CC[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000792771530 1077997399 /nfs/dbraw/zinc/99/73/99/1077997399.db2.gz ZMGHGULSCLWVAA-BVGQSLNGSA-N 1 2 404.935 2.960 20 0 HFADLO COC(=O)c1ccc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000790425067 1078023149 /nfs/dbraw/zinc/02/31/49/1078023149.db2.gz XBABGEGELXJQPO-UHFFFAOYSA-N 1 2 413.455 2.836 20 0 HFADLO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000792921332 1078026118 /nfs/dbraw/zinc/02/61/18/1078026118.db2.gz JWAYBBUJTVNGMH-QGZVFWFLSA-N 1 2 415.342 2.993 20 0 HFADLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000792921332 1078026122 /nfs/dbraw/zinc/02/61/22/1078026122.db2.gz JWAYBBUJTVNGMH-QGZVFWFLSA-N 1 2 415.342 2.993 20 0 HFADLO CCn1cc(C[N@H+](C)Cn2ncc3c2ccc(Br)c3C(=O)OC)cn1 ZINC000790446308 1078034472 /nfs/dbraw/zinc/03/44/72/1078034472.db2.gz NQNOLAUYBVXBFT-UHFFFAOYSA-N 1 2 406.284 2.891 20 0 HFADLO CCn1cc(C[N@@H+](C)Cn2ncc3c2ccc(Br)c3C(=O)OC)cn1 ZINC000790446308 1078034478 /nfs/dbraw/zinc/03/44/78/1078034478.db2.gz NQNOLAUYBVXBFT-UHFFFAOYSA-N 1 2 406.284 2.891 20 0 HFADLO COc1ccc(CN(CCc2ccccn2)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000792954824 1078034971 /nfs/dbraw/zinc/03/49/71/1078034971.db2.gz BTBJJXUVXHJPJT-IBGZPJMESA-N 1 2 412.534 2.565 20 0 HFADLO COc1ccc(CN(CCc2ccccn2)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000792954824 1078034978 /nfs/dbraw/zinc/03/49/78/1078034978.db2.gz BTBJJXUVXHJPJT-IBGZPJMESA-N 1 2 412.534 2.565 20 0 HFADLO CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@@H](N3CCCC3=O)C1)C2=O ZINC000790450578 1078035554 /nfs/dbraw/zinc/03/55/54/1078035554.db2.gz AFHDNNXIGPFVLX-PSCUFVCCSA-N 1 2 404.555 2.558 20 0 HFADLO CCC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@@H](N3CCCC3=O)C1)C2=O ZINC000790450578 1078035557 /nfs/dbraw/zinc/03/55/57/1078035557.db2.gz AFHDNNXIGPFVLX-PSCUFVCCSA-N 1 2 404.555 2.558 20 0 HFADLO COC(=O)Nc1cccc(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000806299769 1079551229 /nfs/dbraw/zinc/55/12/29/1079551229.db2.gz ZMYOTEQSYYVXBL-FQEVSTJZSA-N 1 2 412.490 2.565 20 0 HFADLO COC(=O)Nc1cccc(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000806299769 1079551237 /nfs/dbraw/zinc/55/12/37/1079551237.db2.gz ZMYOTEQSYYVXBL-FQEVSTJZSA-N 1 2 412.490 2.565 20 0 HFADLO Cc1ccccc1CCNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806313234 1079565813 /nfs/dbraw/zinc/56/58/13/1079565813.db2.gz KUVCEYBOEMMTHK-FQEVSTJZSA-N 1 2 416.566 2.874 20 0 HFADLO CCn1nc(C)c(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC000806383634 1079633521 /nfs/dbraw/zinc/63/35/21/1079633521.db2.gz ABEZJRGJHVNYKS-KRWDZBQOSA-N 1 2 420.558 2.679 20 0 HFADLO CCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000806361130 1079647823 /nfs/dbraw/zinc/64/78/23/1079647823.db2.gz DVTOOVABOJDMFL-GOSISDBHSA-N 1 2 403.527 2.882 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000806419040 1079662547 /nfs/dbraw/zinc/66/25/47/1079662547.db2.gz KQXSMAZERKEVBF-CMPLNLGQSA-N 1 2 403.708 2.824 20 0 HFADLO O=C([C@H]1CCCC12OCCO2)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000806432834 1079679805 /nfs/dbraw/zinc/67/98/05/1079679805.db2.gz BGXSLURRJLIHIW-QGZVFWFLSA-N 1 2 414.424 2.773 20 0 HFADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1c[nH]c2cc(OCc3ccccc3)ccc21 ZINC001158015510 1079687190 /nfs/dbraw/zinc/68/71/90/1079687190.db2.gz SDQLVALSRVLPHE-NRFANRHFSA-N 1 2 407.470 2.724 20 0 HFADLO Cc1cccc(C)c1CCNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000806449114 1079719554 /nfs/dbraw/zinc/71/95/54/1079719554.db2.gz QTEFNMPBBSJFSE-UHFFFAOYSA-N 1 2 422.573 2.813 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N(CCn3cc[nH+]c3)Cc3cccc(Cl)c3)ccnc1-2 ZINC000806494411 1079744685 /nfs/dbraw/zinc/74/46/85/1079744685.db2.gz GTGITGGHBMYETI-UHFFFAOYSA-N 1 2 409.881 2.926 20 0 HFADLO CC(C)c1nn(C)cc1NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806506170 1079756227 /nfs/dbraw/zinc/75/62/27/1079756227.db2.gz LVBLUCHZJITWJM-MRXNPFEDSA-N 1 2 420.558 2.702 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@@H]3Cc4ccccc43)CC2)C1 ZINC000806506649 1079757348 /nfs/dbraw/zinc/75/73/48/1079757348.db2.gz BYKXEOWAAQGPFB-OALUTQOASA-N 1 2 414.550 2.663 20 0 HFADLO O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000747352737 1080025773 /nfs/dbraw/zinc/02/57/73/1080025773.db2.gz LVCMTOGZFXEDEF-UHFFFAOYSA-N 1 2 419.485 2.765 20 0 HFADLO CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 ZINC000806854410 1080059408 /nfs/dbraw/zinc/05/94/08/1080059408.db2.gz DXEKEBKUGODOOP-MOPGFXCFSA-N 1 2 417.554 2.869 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CC4CCC3CC4)C2)CC1 ZINC000806992031 1080171340 /nfs/dbraw/zinc/17/13/40/1080171340.db2.gz ZZNWXQMQDAOMFL-CSODTCANSA-N 1 2 406.571 2.902 20 0 HFADLO CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000807056646 1080239426 /nfs/dbraw/zinc/23/94/26/1080239426.db2.gz GWQKCJYLLSLDSJ-KKXDTOCCSA-N 1 2 413.534 2.863 20 0 HFADLO CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000807056646 1080239435 /nfs/dbraw/zinc/23/94/35/1080239435.db2.gz GWQKCJYLLSLDSJ-KKXDTOCCSA-N 1 2 413.534 2.863 20 0 HFADLO C[C@@H]1CCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000807089459 1080268234 /nfs/dbraw/zinc/26/82/34/1080268234.db2.gz FVSWRVCRZHRLQY-DUXKGJEZSA-N 1 2 410.518 2.577 20 0 HFADLO O=C([C@H](c1cccc(Br)c1)[NH+]1CCCC1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001130894630 1080425915 /nfs/dbraw/zinc/42/59/15/1080425915.db2.gz RNBGATAXKDROFG-AYBZRNKSSA-N 1 2 420.351 2.713 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000807280842 1080440092 /nfs/dbraw/zinc/44/00/92/1080440092.db2.gz NXQNZZOXKOEWJD-LBPRGKRZSA-N 1 2 420.185 2.636 20 0 HFADLO CCc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)OC)c2c(CC(C)(C)C)noc2n1 ZINC000807281609 1080441495 /nfs/dbraw/zinc/44/14/95/1080441495.db2.gz YBCGPOHQEWPMEQ-INIZCTEOSA-N 1 2 413.478 2.542 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC000807282604 1080442334 /nfs/dbraw/zinc/44/23/34/1080442334.db2.gz OHZLFUCYEZGUPM-OAHLLOKOSA-N 1 2 422.869 2.855 20 0 HFADLO CCOc1ccc(C2N=NC(=S)N2CCC(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000747399637 1080703146 /nfs/dbraw/zinc/70/31/46/1080703146.db2.gz BXWIVKCGUCAXNS-OAHLLOKOSA-N 1 2 414.535 2.672 20 0 HFADLO C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Cn1cc[nH+]c1 ZINC000747400727 1080746001 /nfs/dbraw/zinc/74/60/01/1080746001.db2.gz LWWTZZUOCBOATD-HNNXBMFYSA-N 1 2 424.954 2.777 20 0 HFADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001560100362 1126207559 /nfs/dbraw/zinc/20/75/59/1126207559.db2.gz JTUILVJOSNLMPY-APWZRJJASA-N 1 2 405.424 2.903 20 0 HFADLO O=C(OCc1ccccc1)N1CCC([NH2+]c2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000790494816 1078043533 /nfs/dbraw/zinc/04/35/33/1078043533.db2.gz HZMCCTDHRGXDMP-UHFFFAOYSA-N 1 2 408.502 2.836 20 0 HFADLO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)n1 ZINC001164644128 719284015 /nfs/dbraw/zinc/28/40/15/719284015.db2.gz DZCZCAVXTXNTHZ-OAHLLOKOSA-N 1 2 423.989 2.711 20 0 HFADLO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)n1 ZINC001164644128 719284020 /nfs/dbraw/zinc/28/40/20/719284020.db2.gz DZCZCAVXTXNTHZ-OAHLLOKOSA-N 1 2 423.989 2.711 20 0 HFADLO COCc1nc(OC)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164677074 719529475 /nfs/dbraw/zinc/52/94/75/719529475.db2.gz BMTCMFGBIAQKQG-UHFFFAOYSA-N 1 2 416.497 2.642 20 0 HFADLO COCc1nc(OC)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164677074 719529487 /nfs/dbraw/zinc/52/94/87/719529487.db2.gz BMTCMFGBIAQKQG-UHFFFAOYSA-N 1 2 416.497 2.642 20 0 HFADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1 ZINC001164676619 719565627 /nfs/dbraw/zinc/56/56/27/719565627.db2.gz DDRBBVBACKKAOL-UHFFFAOYSA-N 1 2 423.807 2.862 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cccc(F)c21 ZINC001164698672 719849294 /nfs/dbraw/zinc/84/92/94/719849294.db2.gz GUDOKWCUBQCWKS-RNODOKPDSA-N 1 2 422.888 2.655 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2nccc(Cl)c2n1 ZINC001164701189 719864825 /nfs/dbraw/zinc/86/48/25/719864825.db2.gz FSMPLQYPTVPNMW-VLIAUNLRSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(C)(C)C)nc(Cl)c1C ZINC001164702298 719867247 /nfs/dbraw/zinc/86/72/47/719867247.db2.gz IDYPWTQXEFTMJS-BTYIYWSLSA-N 1 2 424.973 2.969 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cc(C)ccc2C)nn1 ZINC001164706067 719870897 /nfs/dbraw/zinc/87/08/97/719870897.db2.gz OMCBZFYQPUUNSC-NTKDMRAZSA-N 1 2 424.545 2.993 20 0 HFADLO CCc1ccc(-c2ccc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nn2)cc1 ZINC001164708533 719872300 /nfs/dbraw/zinc/87/23/00/719872300.db2.gz ZRVOEWZKEHCMEO-YKSBVNFPSA-N 1 2 424.545 2.939 20 0 HFADLO F[C@@H](Oc1ccc(Cl)nn1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770015 721276637 /nfs/dbraw/zinc/27/66/37/721276637.db2.gz RUQSDKIMKMGXCZ-SCLBCKFNSA-N 1 2 404.833 2.564 20 0 HFADLO CN(C)c1cc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc(Cl)n1 ZINC001164788050 721435276 /nfs/dbraw/zinc/43/52/76/721435276.db2.gz RUDDOMJJRHDDRY-VXGBXAGGSA-N 1 2 414.913 2.766 20 0 HFADLO COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164790286 721437932 /nfs/dbraw/zinc/43/79/32/721437932.db2.gz XHJCBBKZBDXUTK-QWRGUYRKSA-N 1 2 401.870 2.708 20 0 HFADLO COc1cc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc(Cl)n1 ZINC001164786586 721438222 /nfs/dbraw/zinc/43/82/22/721438222.db2.gz VRWKSEJLNCUGPN-PHIMTYICSA-N 1 2 401.870 2.708 20 0 HFADLO COc1cc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc(Cl)n1 ZINC001164786586 721438224 /nfs/dbraw/zinc/43/82/24/721438224.db2.gz VRWKSEJLNCUGPN-PHIMTYICSA-N 1 2 401.870 2.708 20 0 HFADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc[nH]c3nc(=S)sc2-3)[C@H]2CCCO[C@H]12 ZINC001164800294 721573505 /nfs/dbraw/zinc/57/35/05/721573505.db2.gz DOQLUTIXDVLGBT-ZNMIVQPWSA-N 1 2 414.560 2.638 20 0 HFADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc[nH]c3nc(=S)sc2-3)[C@H]2CCCO[C@H]12 ZINC001164800294 721573507 /nfs/dbraw/zinc/57/35/07/721573507.db2.gz DOQLUTIXDVLGBT-ZNMIVQPWSA-N 1 2 414.560 2.638 20 0 HFADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc[nH]c3nc(=S)sc2-3)[C@H]2CCCO[C@@H]12 ZINC001164800292 721573916 /nfs/dbraw/zinc/57/39/16/721573916.db2.gz DOQLUTIXDVLGBT-RRFJBIMHSA-N 1 2 414.560 2.638 20 0 HFADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc[nH]c3nc(=S)sc2-3)[C@H]2CCCO[C@@H]12 ZINC001164800292 721573920 /nfs/dbraw/zinc/57/39/20/721573920.db2.gz DOQLUTIXDVLGBT-RRFJBIMHSA-N 1 2 414.560 2.638 20 0 HFADLO Clc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C2CC2)n1 ZINC001164912103 721772259 /nfs/dbraw/zinc/77/22/59/721772259.db2.gz KHNYTCLMSFHIMX-OAQYLSRUSA-N 1 2 415.925 2.510 20 0 HFADLO Clc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C2CC2)n1 ZINC001164912103 721772266 /nfs/dbraw/zinc/77/22/66/721772266.db2.gz KHNYTCLMSFHIMX-OAQYLSRUSA-N 1 2 415.925 2.510 20 0 HFADLO CCOc1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164915144 721781268 /nfs/dbraw/zinc/78/12/68/721781268.db2.gz IOGQXIDYBNXETB-NRFANRHFSA-N 1 2 418.925 2.637 20 0 HFADLO CCOc1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164915144 721781272 /nfs/dbraw/zinc/78/12/72/721781272.db2.gz IOGQXIDYBNXETB-NRFANRHFSA-N 1 2 418.925 2.637 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccccc3)nc(N(C)C)n2)CC1 ZINC001164917592 721816953 /nfs/dbraw/zinc/81/69/53/721816953.db2.gz GMJZHHMZTOODQU-UHFFFAOYSA-N 1 2 418.549 2.551 20 0 HFADLO CCCN(CCC)c1cc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)nc[nH+]1 ZINC001164944757 721951322 /nfs/dbraw/zinc/95/13/22/721951322.db2.gz KOBGPLUGLBVQOX-VQTJNVASSA-N 1 2 414.554 2.797 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc(-c3ccco3)cn1)CC2 ZINC001164943813 721972593 /nfs/dbraw/zinc/97/25/93/721972593.db2.gz FYHNOIKAIUDKPQ-UHFFFAOYSA-N 1 2 403.486 2.708 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc(-c3ccco3)cn1)CC2 ZINC001164943813 721972599 /nfs/dbraw/zinc/97/25/99/721972599.db2.gz FYHNOIKAIUDKPQ-UHFFFAOYSA-N 1 2 403.486 2.708 20 0 HFADLO CSc1cnc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946025 721975246 /nfs/dbraw/zinc/97/52/46/721975246.db2.gz IOBHVFIGHLXZCT-UHFFFAOYSA-N 1 2 417.966 2.823 20 0 HFADLO CSc1cnc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946025 721975248 /nfs/dbraw/zinc/97/52/48/721975248.db2.gz IOBHVFIGHLXZCT-UHFFFAOYSA-N 1 2 417.966 2.823 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccco3)nn1)CC2 ZINC001164950397 721979715 /nfs/dbraw/zinc/97/97/15/721979715.db2.gz SJPARXAGMNUQTN-UHFFFAOYSA-N 1 2 403.486 2.708 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccco3)nn1)CC2 ZINC001164950397 721979718 /nfs/dbraw/zinc/97/97/18/721979718.db2.gz SJPARXAGMNUQTN-UHFFFAOYSA-N 1 2 403.486 2.708 20 0 HFADLO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056189 722018349 /nfs/dbraw/zinc/01/83/49/722018349.db2.gz ZIZOBABJXCUSHF-GOSISDBHSA-N 1 2 415.847 2.695 20 0 HFADLO CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001170138833 1078048531 /nfs/dbraw/zinc/04/85/31/1078048531.db2.gz FWYKAAUFYJMDOS-MSOLQXFVSA-N 1 2 405.543 2.746 20 0 HFADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790533763 1078052632 /nfs/dbraw/zinc/05/26/32/1078052632.db2.gz ZLNXGOVWZWCERT-UHFFFAOYSA-N 1 2 416.469 2.942 20 0 HFADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790533763 1078052634 /nfs/dbraw/zinc/05/26/34/1078052634.db2.gz ZLNXGOVWZWCERT-UHFFFAOYSA-N 1 2 416.469 2.942 20 0 HFADLO C[C@@]1(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793121095 1078070490 /nfs/dbraw/zinc/07/04/90/1078070490.db2.gz LLBYJRHXWBTGSZ-AUSIDOKSSA-N 1 2 423.517 2.761 20 0 HFADLO COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCCc3c[nH+]cn3C)c2)cc1 ZINC000793250549 1078110342 /nfs/dbraw/zinc/11/03/42/1078110342.db2.gz PNFXTYFXMWSHCO-UHFFFAOYSA-N 1 2 415.471 2.629 20 0 HFADLO CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)OCCc3c[nH+]cn3C)CC2)cc1 ZINC000793252353 1078110961 /nfs/dbraw/zinc/11/09/61/1078110961.db2.gz XTVJQDXNQJIERL-UHFFFAOYSA-N 1 2 419.547 2.730 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000793255585 1078111753 /nfs/dbraw/zinc/11/17/53/1078111753.db2.gz MUGVSLBPSCBOMQ-UHFFFAOYSA-N 1 2 403.435 2.760 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(c3cccnc3)=NO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000790817412 1078153642 /nfs/dbraw/zinc/15/36/42/1078153642.db2.gz HGAQZCYPPRCSPF-QXAKKESOSA-N 1 2 402.857 2.929 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CC(c3cccnc3)=NO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000790817412 1078153644 /nfs/dbraw/zinc/15/36/44/1078153644.db2.gz HGAQZCYPPRCSPF-QXAKKESOSA-N 1 2 402.857 2.929 20 0 HFADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCN(C)C(=O)OCc2ccccc2)CC1 ZINC000793511058 1078194846 /nfs/dbraw/zinc/19/48/46/1078194846.db2.gz AERXHABBSLGBMC-IBGZPJMESA-N 1 2 410.518 2.946 20 0 HFADLO C[N@@H+]1CCN(Cc2cnc(-c3ccccn3)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603489 1078222293 /nfs/dbraw/zinc/22/22/93/1078222293.db2.gz IWRXZHYRAPFHGP-OAHLLOKOSA-N 1 2 403.552 2.846 20 0 HFADLO C[N@H+]1CCN(Cc2cnc(-c3ccccn3)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603489 1078222297 /nfs/dbraw/zinc/22/22/97/1078222297.db2.gz IWRXZHYRAPFHGP-OAHLLOKOSA-N 1 2 403.552 2.846 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000793664084 1078244553 /nfs/dbraw/zinc/24/45/53/1078244553.db2.gz OKSMDMFGEIPUFT-IERDGZPVSA-N 1 2 415.440 2.974 20 0 HFADLO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000793716170 1078262924 /nfs/dbraw/zinc/26/29/24/1078262924.db2.gz XSUOOSRJUIILMC-XPGWFJOJSA-N 1 2 415.921 2.785 20 0 HFADLO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000793716170 1078262927 /nfs/dbraw/zinc/26/29/27/1078262927.db2.gz XSUOOSRJUIILMC-XPGWFJOJSA-N 1 2 415.921 2.785 20 0 HFADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000793721574 1078266268 /nfs/dbraw/zinc/26/62/68/1078266268.db2.gz XWVFUNKAKOGOBM-JOCHJYFZSA-N 1 2 418.497 2.773 20 0 HFADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2csc(CCNC(=O)OC(C)(C)C)n2)C1 ZINC000793729227 1078268857 /nfs/dbraw/zinc/26/88/57/1078268857.db2.gz GKAAQHMHTRLGOU-ZDUSSCGKSA-N 1 2 405.524 2.574 20 0 HFADLO C[C@@H](Cc1ccsc1)NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000793785563 1078294021 /nfs/dbraw/zinc/29/40/21/1078294021.db2.gz AIPQPRQVPBVPLC-INIZCTEOSA-N 1 2 414.575 2.647 20 0 HFADLO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)C2=O)cn1 ZINC000793787878 1078296530 /nfs/dbraw/zinc/29/65/30/1078296530.db2.gz FTJNYFPDQTVNDK-YJBOKZPZSA-N 1 2 418.950 2.815 20 0 HFADLO Cn1cc(C[C@H]2CC(=O)N(C[N@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)C2=O)cn1 ZINC000793787878 1078296533 /nfs/dbraw/zinc/29/65/33/1078296533.db2.gz FTJNYFPDQTVNDK-YJBOKZPZSA-N 1 2 418.950 2.815 20 0 HFADLO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000793772231 1078307287 /nfs/dbraw/zinc/30/72/87/1078307287.db2.gz OINHMFCOBSUQPE-GOSISDBHSA-N 1 2 424.545 2.818 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000793811972 1078314941 /nfs/dbraw/zinc/31/49/41/1078314941.db2.gz NVSMYJZCHFHLKK-XMSQKQJNSA-N 1 2 409.571 2.783 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000793811972 1078314945 /nfs/dbraw/zinc/31/49/45/1078314945.db2.gz NVSMYJZCHFHLKK-XMSQKQJNSA-N 1 2 409.571 2.783 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N2CCC(O)(c3ccccc3)CC2)[C@@H]1c1c[nH+]cn1C ZINC000793832018 1078320810 /nfs/dbraw/zinc/32/08/10/1078320810.db2.gz WCWIDDDNIXEMFJ-DENIHFKCSA-N 1 2 424.545 2.620 20 0 HFADLO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000793912232 1078335923 /nfs/dbraw/zinc/33/59/23/1078335923.db2.gz DJTXYUYGKLGZOY-NRFANRHFSA-N 1 2 424.476 2.518 20 0 HFADLO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001170442434 1078368014 /nfs/dbraw/zinc/36/80/14/1078368014.db2.gz MPRXCTPTTAFCQP-SFHVURJKSA-N 1 2 402.516 2.743 20 0 HFADLO Cn1cnc(S(=O)(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)c1Cl ZINC000794070974 1078368221 /nfs/dbraw/zinc/36/82/21/1078368221.db2.gz PLRMFMXWRSPZGW-UHFFFAOYSA-N 1 2 403.895 2.832 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000804437096 1078480710 /nfs/dbraw/zinc/48/07/10/1078480710.db2.gz VLRZNOMIEGTLFD-RLLQIKCJSA-N 1 2 417.550 2.617 20 0 HFADLO CN(C(=O)c1cc(I)ccc1F)C(C)(C)C[NH+]1CCOCC1 ZINC001129772141 1078482187 /nfs/dbraw/zinc/48/21/87/1078482187.db2.gz ANKMHYNBHPHLMQ-UHFFFAOYSA-N 1 2 420.266 2.613 20 0 HFADLO Cc1nn(-c2ccccc2)c2ncc(C(=O)N3C[C@@H]([NH+]4CCOCC4)C[C@@H]3C)cc12 ZINC000804438546 1078503954 /nfs/dbraw/zinc/50/39/54/1078503954.db2.gz QNFLUTVQEPUCNI-JXFKEZNVSA-N 1 2 405.502 2.664 20 0 HFADLO C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C(=O)NCCc1ccccc1 ZINC001129504053 1078496594 /nfs/dbraw/zinc/49/65/94/1078496594.db2.gz VHWSMLDCGYARCB-NQIIRXRSSA-N 1 2 411.571 2.640 20 0 HFADLO COC(=O)c1cc(Cl)cc(Cl)c1NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000804443138 1078508730 /nfs/dbraw/zinc/50/87/30/1078508730.db2.gz AUBLAHHRFRVTHC-UHFFFAOYSA-N 1 2 409.335 2.701 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC001129823023 1078517888 /nfs/dbraw/zinc/51/78/88/1078517888.db2.gz PZSLNEWBWSJJAC-ZWKOTPCHSA-N 1 2 401.334 2.903 20 0 HFADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1coc(-c2ccccc2Cl)n1 ZINC001129555065 1078545357 /nfs/dbraw/zinc/54/53/57/1078545357.db2.gz GOXZSIYKWJXTSL-UHFFFAOYSA-N 1 2 405.882 2.606 20 0 HFADLO Cc1cccc(Oc2ccc(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)nc2)c1 ZINC001129557262 1078571822 /nfs/dbraw/zinc/57/18/22/1078571822.db2.gz ZZZTVBHHBUEGLZ-UHFFFAOYSA-N 1 2 411.502 2.794 20 0 HFADLO CC[C@H](C)CC[C@H](O)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804762556 1078613945 /nfs/dbraw/zinc/61/39/45/1078613945.db2.gz JRSHKILEOAVSSU-FHWLQOOXSA-N 1 2 411.587 2.717 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCOc4ccccc43)C2)CC1 ZINC000804759979 1078610644 /nfs/dbraw/zinc/61/06/44/1078610644.db2.gz DHUXKJOSNWNKDP-MJGOQNOKSA-N 1 2 415.534 2.706 20 0 HFADLO Cc1nc(Cl)ccc1CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760866 1078611999 /nfs/dbraw/zinc/61/19/99/1078611999.db2.gz QFMMIUFFXQVCDN-KRWDZBQOSA-N 1 2 422.957 2.740 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C\c3cccc(O)c3)C2)CC1 ZINC000804761110 1078612040 /nfs/dbraw/zinc/61/20/40/1078612040.db2.gz WECLONVOMLDUIP-JTHGQSKGSA-N 1 2 401.507 2.559 20 0 HFADLO C[C@@H]1CCCC[C@H]1OCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760786 1078613097 /nfs/dbraw/zinc/61/30/97/1078613097.db2.gz OQEZSPWPOXQMQX-GUDVDZBRSA-N 1 2 409.571 2.735 20 0 HFADLO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804763753 1078615300 /nfs/dbraw/zinc/61/53/00/1078615300.db2.gz QIJFDZBWEWYFHH-YJBOKZPZSA-N 1 2 419.570 2.674 20 0 HFADLO CN(C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)C(C)(C)C[NH+]1CCOCC1 ZINC001129658592 1078619938 /nfs/dbraw/zinc/61/99/38/1078619938.db2.gz KCWGNLROHXFHMO-UHFFFAOYSA-N 1 2 418.488 2.822 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C=C/c3ccc(O)cc3)C2)CC1 ZINC000804763911 1078621023 /nfs/dbraw/zinc/62/10/23/1078621023.db2.gz MSWRQEHSHDWYIN-YOCVDRLZSA-N 1 2 401.507 2.559 20 0 HFADLO Cc1cc(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)nc(-c2ccccn2)n1 ZINC000804834521 1078674934 /nfs/dbraw/zinc/67/49/34/1078674934.db2.gz JFYYDWZNERESQE-SFHVURJKSA-N 1 2 424.549 2.978 20 0 HFADLO Cn1ccnc1[C@H]1CCCN(c2cncc(N3CCC[C@H](c4[nH+]ccn4C)C3)n2)C1 ZINC000804662298 1078731157 /nfs/dbraw/zinc/73/11/57/1078731157.db2.gz SQLFHCKMLOOBOC-ROUUACIJSA-N 1 2 406.538 2.712 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCCc3ccsc3)C2)CC1 ZINC000804907496 1078729976 /nfs/dbraw/zinc/72/99/76/1078729976.db2.gz YNUVCBINDLSERZ-KRWDZBQOSA-N 1 2 408.568 2.627 20 0 HFADLO CCc1ccc([C@H](O)CNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000804900626 1078755359 /nfs/dbraw/zinc/75/53/59/1078755359.db2.gz ZYPJQIJWBJSJQL-JOCHJYFZSA-N 1 2 424.545 2.685 20 0 HFADLO Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)nc3C)CC2)nc(C(C)C)[nH+]1 ZINC000804942069 1078770099 /nfs/dbraw/zinc/77/00/99/1078770099.db2.gz LFKYGBOPHQPPTR-UHFFFAOYSA-N 1 2 409.943 2.776 20 0 HFADLO CC(=O)OCCCS(=O)(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000804951742 1078779419 /nfs/dbraw/zinc/77/94/19/1078779419.db2.gz XRNNESKHHKJVJF-LJQANCHMSA-N 1 2 422.572 2.720 20 0 HFADLO CC(=O)OCCCS(=O)(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000804951742 1078779423 /nfs/dbraw/zinc/77/94/23/1078779423.db2.gz XRNNESKHHKJVJF-LJQANCHMSA-N 1 2 422.572 2.720 20 0 HFADLO C[C@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804980378 1078816249 /nfs/dbraw/zinc/81/62/49/1078816249.db2.gz UVYUEEZXQWDWSN-ZQIUZPCESA-N 1 2 423.439 2.859 20 0 HFADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)c3ccc(Cl)nc3C)CC2)oc1C ZINC000804994884 1078845122 /nfs/dbraw/zinc/84/51/22/1078845122.db2.gz MSNVUTAALREULK-UHFFFAOYSA-N 1 2 412.943 2.839 20 0 HFADLO O=C(OCc1cc(F)cc(N2CCOCC2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001130049918 1078855427 /nfs/dbraw/zinc/85/54/27/1078855427.db2.gz ZOQNFNFFDMIPPE-JOCHJYFZSA-N 1 2 414.477 2.607 20 0 HFADLO O=C(OCc1cc(F)cc(N2CCOCC2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001130049918 1078855433 /nfs/dbraw/zinc/85/54/33/1078855433.db2.gz ZOQNFNFFDMIPPE-JOCHJYFZSA-N 1 2 414.477 2.607 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C2 ZINC000805136717 1078933679 /nfs/dbraw/zinc/93/36/79/1078933679.db2.gz OMTKPVOQIFUGCY-QFIPXVFZSA-N 1 2 424.586 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)NCC[N@H+]1CCOCC1(C)C)C2 ZINC000805136717 1078933682 /nfs/dbraw/zinc/93/36/82/1078933682.db2.gz OMTKPVOQIFUGCY-QFIPXVFZSA-N 1 2 424.586 2.530 20 0 HFADLO CCC(CC)(CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000805166533 1078956135 /nfs/dbraw/zinc/95/61/35/1078956135.db2.gz NRHLLWJXIRXAAO-DLBZAZTESA-N 1 2 412.575 2.575 20 0 HFADLO COC(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000747238717 1079023097 /nfs/dbraw/zinc/02/30/97/1079023097.db2.gz JQLNGSDFTLHBKR-FLIBITNWSA-N 1 2 411.483 2.596 20 0 HFADLO CCC1(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCOCC1 ZINC000805378631 1079053124 /nfs/dbraw/zinc/05/31/24/1079053124.db2.gz UFXWECXGDWCKGW-GOSISDBHSA-N 1 2 424.586 2.530 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)C1 ZINC000805477224 1079092253 /nfs/dbraw/zinc/09/22/53/1079092253.db2.gz FPJNIAKGXRQTJX-YLJYHZDGSA-N 1 2 402.516 2.526 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)C1 ZINC000805477224 1079092255 /nfs/dbraw/zinc/09/22/55/1079092255.db2.gz FPJNIAKGXRQTJX-YLJYHZDGSA-N 1 2 402.516 2.526 20 0 HFADLO CO[C@@H](C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1)[C@H]1CCOC1 ZINC001130213363 1079090035 /nfs/dbraw/zinc/09/00/35/1079090035.db2.gz FEOYJXKCGCDCTH-WMLDXEAASA-N 1 2 423.311 2.515 20 0 HFADLO Cc1cc(C)c(CN2CC[NH+](CC[S@@](C)=O)CC2)c(OCc2ccccc2)n1 ZINC000805745702 1079245088 /nfs/dbraw/zinc/24/50/88/1079245088.db2.gz FGFAGWYPCUFZMM-MUUNZHRXSA-N 1 2 401.576 2.774 20 0 HFADLO C[C@@H]1c2nnc(C3CCCC3)n2CCN1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000805792636 1079257565 /nfs/dbraw/zinc/25/75/65/1079257565.db2.gz SYFKMSOEKUOAEA-QGZVFWFLSA-N 1 2 418.586 2.865 20 0 HFADLO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC001130370940 1079270933 /nfs/dbraw/zinc/27/09/33/1079270933.db2.gz XGIFSABPMOBOHQ-BFHYXJOUSA-N 1 2 417.369 2.552 20 0 HFADLO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC001130370940 1079270941 /nfs/dbraw/zinc/27/09/41/1079270941.db2.gz XGIFSABPMOBOHQ-BFHYXJOUSA-N 1 2 417.369 2.552 20 0 HFADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000805803409 1079280842 /nfs/dbraw/zinc/28/08/42/1079280842.db2.gz FIRJJIFQDJIMPE-GJZGRUSLSA-N 1 2 418.563 2.943 20 0 HFADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000805803409 1079280853 /nfs/dbraw/zinc/28/08/53/1079280853.db2.gz FIRJJIFQDJIMPE-GJZGRUSLSA-N 1 2 418.563 2.943 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1CCc1cnn(C)c1 ZINC000805829501 1079298952 /nfs/dbraw/zinc/29/89/52/1079298952.db2.gz NKWMXCBVKAUXJK-WMZOPIPTSA-N 1 2 410.440 2.855 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1CCc1cnn(C)c1 ZINC000805829501 1079298955 /nfs/dbraw/zinc/29/89/55/1079298955.db2.gz NKWMXCBVKAUXJK-WMZOPIPTSA-N 1 2 410.440 2.855 20 0 HFADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000747273441 1079304248 /nfs/dbraw/zinc/30/42/48/1079304248.db2.gz ATTOITOPGZXKAS-WQRHYEAKSA-N 1 2 403.523 2.880 20 0 HFADLO Cc1nc(C[NH+]2CCC(C(=O)OCCn3c(=O)oc4ccccc43)CC2)cs1 ZINC000805877596 1079318530 /nfs/dbraw/zinc/31/85/30/1079318530.db2.gz MBZRQGYQPTZDJW-UHFFFAOYSA-N 1 2 401.488 2.815 20 0 HFADLO CN(C)c1ccc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000806089556 1079420545 /nfs/dbraw/zinc/42/05/45/1079420545.db2.gz XGEINZCKGXPMPK-IBGZPJMESA-N 1 2 417.554 2.912 20 0 HFADLO C[N@@H+]1CCN(C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)[C@@H](Cc2ccccc2)C1 ZINC001130554641 1079496271 /nfs/dbraw/zinc/49/62/71/1079496271.db2.gz WXRAINGNMPHJBH-IBGZPJMESA-N 1 2 411.456 2.880 20 0 HFADLO C[N@H+]1CCN(C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)[C@@H](Cc2ccccc2)C1 ZINC001130554641 1079496273 /nfs/dbraw/zinc/49/62/73/1079496273.db2.gz WXRAINGNMPHJBH-IBGZPJMESA-N 1 2 411.456 2.880 20 0 HFADLO O=C(NCC1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1)OCc1ccccc1 ZINC000787333040 1076744449 /nfs/dbraw/zinc/74/44/49/1076744449.db2.gz ZVZPHJQUQNEZRH-UHFFFAOYSA-N 1 2 420.517 2.860 20 0 HFADLO O=C(C[N@H+]1CCCN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC1)N1CCCC1 ZINC000787349776 1076790223 /nfs/dbraw/zinc/79/02/23/1076790223.db2.gz PVZXMYQIAOJBBO-UHFFFAOYSA-N 1 2 415.868 2.625 20 0 HFADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC1)N1CCCC1 ZINC000787349776 1076790228 /nfs/dbraw/zinc/79/02/28/1076790228.db2.gz PVZXMYQIAOJBBO-UHFFFAOYSA-N 1 2 415.868 2.625 20 0 HFADLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787354637 1076794363 /nfs/dbraw/zinc/79/43/63/1076794363.db2.gz MTHOOVFNODFGRP-KBXCAEBGSA-N 1 2 404.511 2.961 20 0 HFADLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787354637 1076794368 /nfs/dbraw/zinc/79/43/68/1076794368.db2.gz MTHOOVFNODFGRP-KBXCAEBGSA-N 1 2 404.511 2.961 20 0 HFADLO CCCCOC(=O)c1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000787399710 1076807719 /nfs/dbraw/zinc/80/77/19/1076807719.db2.gz TYBSHPHFHGZIIJ-UHFFFAOYSA-N 1 2 415.494 2.816 20 0 HFADLO Cc1ccc(C(C)C)c(OCc2nnc(SCC[N@@H+]3CCO[C@H](C)C3)n2N)c1 ZINC000787489551 1076823605 /nfs/dbraw/zinc/82/36/05/1076823605.db2.gz PEXRYMLWTRLGCE-MRXNPFEDSA-N 1 2 405.568 2.816 20 0 HFADLO Cc1ccc(C(C)C)c(OCc2nnc(SCC[N@H+]3CCO[C@H](C)C3)n2N)c1 ZINC000787489551 1076823611 /nfs/dbraw/zinc/82/36/11/1076823611.db2.gz PEXRYMLWTRLGCE-MRXNPFEDSA-N 1 2 405.568 2.816 20 0 HFADLO CN1CCN(c2ccc(NC(=O)CCCn3cc[nH+]c3)cc2Br)CC1 ZINC000787535100 1076851443 /nfs/dbraw/zinc/85/14/43/1076851443.db2.gz FEHVWXFQVVTYPZ-UHFFFAOYSA-N 1 2 406.328 2.816 20 0 HFADLO CCn1nc(C)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787536952 1076852383 /nfs/dbraw/zinc/85/23/83/1076852383.db2.gz SXIIASSTDHQGTN-UHFFFAOYSA-N 1 2 406.328 2.978 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccncn3)cc2Br)CC1 ZINC000787676164 1076890362 /nfs/dbraw/zinc/89/03/62/1076890362.db2.gz WXPOBVQUQUKGCN-HWKANZROSA-N 1 2 402.296 2.643 20 0 HFADLO CC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)N1CCCC1=O ZINC000787666911 1076904343 /nfs/dbraw/zinc/90/43/43/1076904343.db2.gz NYJPAKLHIBTOMG-MRXNPFEDSA-N 1 2 423.355 2.540 20 0 HFADLO COC(=O)CCCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787668071 1076904617 /nfs/dbraw/zinc/90/46/17/1076904617.db2.gz FCNSWQXBONUNTA-UHFFFAOYSA-N 1 2 412.328 2.873 20 0 HFADLO C[N@@H+]1CCO[C@H](C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1 ZINC000787679573 1076908881 /nfs/dbraw/zinc/90/88/81/1076908881.db2.gz TURIQGHZJJRQFG-HNNXBMFYSA-N 1 2 417.428 2.999 20 0 HFADLO C[N@H+]1CCO[C@H](C(=O)Nc2cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c2)C1 ZINC000787679573 1076908884 /nfs/dbraw/zinc/90/88/84/1076908884.db2.gz TURIQGHZJJRQFG-HNNXBMFYSA-N 1 2 417.428 2.999 20 0 HFADLO O=C(CC[NH+]1CC(O)(c2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000787692621 1076914787 /nfs/dbraw/zinc/91/47/87/1076914787.db2.gz FUAGZGFRVSHGCJ-UHFFFAOYSA-N 1 2 417.912 2.721 20 0 HFADLO CC[NH+](CC)[C@@H](C(=O)OCc1nc(-c2nc[nH]n2)no1)c1cccc(C(F)(F)F)c1 ZINC000787716489 1076924083 /nfs/dbraw/zinc/92/40/83/1076924083.db2.gz NUKSKLVQZNJGHP-CQSZACIVSA-N 1 2 424.383 3.000 20 0 HFADLO O=C(NCCOCC(F)F)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000788111248 1077065779 /nfs/dbraw/zinc/06/57/79/1077065779.db2.gz PGTOPBMBDVHMIA-UHFFFAOYSA-N 1 2 411.371 2.694 20 0 HFADLO Cc1nn(C)c(Cl)c1CN(C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000788236656 1077090025 /nfs/dbraw/zinc/09/00/25/1077090025.db2.gz PLEMNLGUBAVCDL-OAHLLOKOSA-N 1 2 407.921 2.690 20 0 HFADLO C[C@@]1(c2cccc(Cl)c2)NC(=O)N(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000788380703 1077135667 /nfs/dbraw/zinc/13/56/67/1077135667.db2.gz LZHFZQKBCTUBOG-XLIONFOSSA-N 1 2 400.866 2.613 20 0 HFADLO CCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2=O)cc1 ZINC000788442118 1077148668 /nfs/dbraw/zinc/14/86/68/1077148668.db2.gz CYQLJNUXZTWYOC-HXUWFJFHSA-N 1 2 418.497 2.999 20 0 HFADLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccnc(C(=O)N3CCCCC3)c2)cc1 ZINC000788465644 1077168902 /nfs/dbraw/zinc/16/89/02/1077168902.db2.gz WUTQKECGPZMJLG-HSZRJFAPSA-N 1 2 408.546 2.923 20 0 HFADLO O[C@@H](c1ncc[nH]1)C1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000788471222 1077169971 /nfs/dbraw/zinc/16/99/71/1077169971.db2.gz JMWWVJXOBHPVSN-CQSZACIVSA-N 1 2 408.256 2.761 20 0 HFADLO CC(C)(C)OC(=O)N1CCN(CC[NH+]2CCN(C(=O)CC3CCCCC3)CC2)CC1 ZINC000788475617 1077172171 /nfs/dbraw/zinc/17/21/71/1077172171.db2.gz GZDROSAYTURIMK-UHFFFAOYSA-N 1 2 422.614 2.654 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCN2CCN(C(=O)CC3CCCCC3)CC2)CC1 ZINC000788475617 1077172176 /nfs/dbraw/zinc/17/21/76/1077172176.db2.gz GZDROSAYTURIMK-UHFFFAOYSA-N 1 2 422.614 2.654 20 0 HFADLO O=C(NCCCNc1cccc[nH+]1)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000788642188 1077244149 /nfs/dbraw/zinc/24/41/49/1077244149.db2.gz YOQOMCYKDZGRHQ-UHFFFAOYSA-N 1 2 405.502 2.887 20 0 HFADLO Cc1ccc(S(=O)(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)c(Cl)n1 ZINC000788642791 1077244760 /nfs/dbraw/zinc/24/47/60/1077244760.db2.gz CKHMISROTFJSBT-UHFFFAOYSA-N 1 2 401.960 2.604 20 0 HFADLO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000788753921 1077277167 /nfs/dbraw/zinc/27/71/67/1077277167.db2.gz PRYLQJZRXLIMNI-QGZVFWFLSA-N 1 2 400.523 2.945 20 0 HFADLO COC(=O)/C(=C/c1c[nH+]c2c(C)cc(Br)cn12)CN1CCC(=O)CC1 ZINC000788738149 1077285617 /nfs/dbraw/zinc/28/56/17/1077285617.db2.gz HMLPXJAYBCHGRR-MDWZMJQESA-N 1 2 406.280 2.627 20 0 HFADLO O=C(CC1CCCC1)NC1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000788773241 1077295962 /nfs/dbraw/zinc/29/59/62/1077295962.db2.gz ULVDZAJHECILGW-HXUWFJFHSA-N 1 2 411.546 2.723 20 0 HFADLO O=C(NC1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1)c1ccc(F)cc1 ZINC000788773120 1077296278 /nfs/dbraw/zinc/29/62/78/1077296278.db2.gz VABSPPRNNBTXHV-LJQANCHMSA-N 1 2 423.488 2.595 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)[nH+]c12 ZINC000746766814 1077311198 /nfs/dbraw/zinc/31/11/98/1077311198.db2.gz QTJRLWJNQOMKME-MRXNPFEDSA-N 1 2 401.511 2.884 20 0 HFADLO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc(-n3cc[nH+]c3)ccn2)cn1 ZINC000791137337 1077317462 /nfs/dbraw/zinc/31/74/62/1077317462.db2.gz NZJJFMZMJMVAAN-JOCHJYFZSA-N 1 2 416.485 2.860 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000791295757 1077359952 /nfs/dbraw/zinc/35/99/52/1077359952.db2.gz FDJOGXVDWXMSMG-UHFFFAOYSA-N 1 2 419.890 2.856 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000791301796 1077362903 /nfs/dbraw/zinc/36/29/03/1077362903.db2.gz LZTDCOFJPXSANG-HNNXBMFYSA-N 1 2 417.462 2.730 20 0 HFADLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788965632 1077365236 /nfs/dbraw/zinc/36/52/36/1077365236.db2.gz RXQATKIVMBRXON-UHFFFAOYSA-N 1 2 410.946 2.646 20 0 HFADLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788965632 1077365242 /nfs/dbraw/zinc/36/52/42/1077365242.db2.gz RXQATKIVMBRXON-UHFFFAOYSA-N 1 2 410.946 2.646 20 0 HFADLO Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000791305411 1077366298 /nfs/dbraw/zinc/36/62/98/1077366298.db2.gz LIUFIDCPJHKVRC-MRXNPFEDSA-N 1 2 410.478 2.502 20 0 HFADLO C[C@H]([C@H](C)NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)[NH+]1CCOCC1 ZINC000788973751 1077366982 /nfs/dbraw/zinc/36/69/82/1077366982.db2.gz GQTOCJUTUNSJEF-JKSUJKDBSA-N 1 2 410.946 2.645 20 0 HFADLO CNS(=O)(=O)c1ccc(CCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000791307829 1077367359 /nfs/dbraw/zinc/36/73/59/1077367359.db2.gz VZMWQTLEIFPMII-UHFFFAOYSA-N 1 2 413.499 2.765 20 0 HFADLO CCn1c(=O)[nH]c2cc(C(=O)OCc3ccc(-n4cc[nH+]c4)cc3C)ccc2c1=O ZINC000791337694 1077378235 /nfs/dbraw/zinc/37/82/35/1077378235.db2.gz UTJAWMJNRXAEJS-UHFFFAOYSA-N 1 2 404.426 2.973 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000791377502 1077387266 /nfs/dbraw/zinc/38/72/66/1077387266.db2.gz IXTSMNDEOGKJDM-UHFFFAOYSA-N 1 2 405.520 2.722 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCC3(CO)CC4(CCC4)C3)CC2)cc1 ZINC000789039809 1077391009 /nfs/dbraw/zinc/39/10/09/1077391009.db2.gz PSZMBPUBYFJUQO-UHFFFAOYSA-N 1 2 400.567 2.963 20 0 HFADLO CC(C)(C)Sc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000746788281 1077410268 /nfs/dbraw/zinc/41/02/68/1077410268.db2.gz CMPXRVPLGVLYSY-QGZVFWFLSA-N 1 2 405.564 2.839 20 0 HFADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2nc(Br)ccc2F)CC1 ZINC000791494605 1077418654 /nfs/dbraw/zinc/41/86/54/1077418654.db2.gz VFYBMDLYLHRTJQ-UHFFFAOYSA-N 1 2 421.270 2.623 20 0 HFADLO CC(=O)c1cc(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)ccc1C ZINC000789141090 1077431638 /nfs/dbraw/zinc/43/16/38/1077431638.db2.gz UILKIVPOXDTNFH-UHFFFAOYSA-N 1 2 424.497 2.503 20 0 HFADLO O=S(=O)(CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1)Cc1ccccc1 ZINC000791458420 1077433785 /nfs/dbraw/zinc/43/37/85/1077433785.db2.gz PLXAIBLGKJVRKI-UHFFFAOYSA-N 1 2 412.515 2.926 20 0 HFADLO O=C(Nc1ccc2c(c1)oc1ccccc12)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000746788813 1077444706 /nfs/dbraw/zinc/44/47/06/1077444706.db2.gz HTWNYTWIWLLFHU-QGZVFWFLSA-N 1 2 407.470 2.848 20 0 HFADLO O=C(Nc1ccccc1SC(F)(F)F)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000746790881 1077454293 /nfs/dbraw/zinc/45/42/93/1077454293.db2.gz WGPKIBJQSICVIK-CYBMUJFWSA-N 1 2 417.453 2.560 20 0 HFADLO Nc1cc(COC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)cc[nH+]1 ZINC000791538652 1077458211 /nfs/dbraw/zinc/45/82/11/1077458211.db2.gz MARKQOCHTYOEOD-UHFFFAOYSA-N 1 2 418.247 2.546 20 0 HFADLO COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000789206820 1077462010 /nfs/dbraw/zinc/46/20/10/1077462010.db2.gz PORBQBMYZFPIGU-SJLPKXTDSA-N 1 2 417.554 2.975 20 0 HFADLO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789224489 1077463913 /nfs/dbraw/zinc/46/39/13/1077463913.db2.gz VKCBBQXLTOVFAX-JQHSSLGASA-N 1 2 404.511 2.890 20 0 HFADLO Cc1cc(=O)c(C(=O)OCc2cc[nH+]c(N)c2)nn1-c1ccccc1C(F)(F)F ZINC000791556295 1077477096 /nfs/dbraw/zinc/47/70/96/1077477096.db2.gz VKDJMIHDFAJKIJ-UHFFFAOYSA-N 1 2 404.348 2.894 20 0 HFADLO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)NC1CCC2(CC1)OCCO2 ZINC000789347283 1077511897 /nfs/dbraw/zinc/51/18/97/1077511897.db2.gz RQYWCGFXHRJVHX-UHFFFAOYSA-N 1 2 404.482 2.522 20 0 HFADLO Cn1cc[nH+]c1C[C@H](NC(=O)C(=O)Nc1ccnn1C1CCCC1)c1ccccc1 ZINC000746801048 1077516103 /nfs/dbraw/zinc/51/61/03/1077516103.db2.gz FALQCCDCIIVGSG-SFHVURJKSA-N 1 2 406.490 2.770 20 0 HFADLO Cc1cc(C)c(N2CC[C@H]([NH+]3CCN(c4ccc(C(N)=O)cc4)CC3)C2=O)c(C)c1 ZINC000789325913 1077520468 /nfs/dbraw/zinc/52/04/68/1077520468.db2.gz OXOCHSHKHUDWBK-NRFANRHFSA-N 1 2 406.530 2.638 20 0 HFADLO COc1ccc(CC(=O)NCc2ccc(C(=O)OCc3cc[nH+]c(N)c3)cc2)cc1 ZINC000791768394 1077558017 /nfs/dbraw/zinc/55/80/17/1077558017.db2.gz WNZPGYFUDHALOM-UHFFFAOYSA-N 1 2 405.454 2.888 20 0 HFADLO COCCS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc[nH+]c(N)c2)c1Cl ZINC000791884508 1077585442 /nfs/dbraw/zinc/58/54/42/1077585442.db2.gz CESZDZUTGPZRLV-UHFFFAOYSA-N 1 2 419.286 2.748 20 0 HFADLO Cc1csc([C@](O)(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C(F)(F)F)n1 ZINC000746822901 1077596320 /nfs/dbraw/zinc/59/63/20/1077596320.db2.gz XIOQPQKCIUQMMZ-MRXNPFEDSA-N 1 2 419.494 2.997 20 0 HFADLO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000746823906 1077603316 /nfs/dbraw/zinc/60/33/16/1077603316.db2.gz GCMYKOKGSRIVEO-MJGOQNOKSA-N 1 2 405.539 2.507 20 0 HFADLO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000746823906 1077603321 /nfs/dbraw/zinc/60/33/21/1077603321.db2.gz GCMYKOKGSRIVEO-MJGOQNOKSA-N 1 2 405.539 2.507 20 0 HFADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1nc(Br)ccc1F ZINC000792031290 1077658405 /nfs/dbraw/zinc/65/84/05/1077658405.db2.gz VADLSHIPEBKPQG-UHFFFAOYSA-N 1 2 408.271 2.745 20 0 HFADLO CC(C)(C)OC(=O)NC[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC000792118067 1077704074 /nfs/dbraw/zinc/70/40/74/1077704074.db2.gz UVAMNYXSISVDQC-GOSISDBHSA-N 1 2 423.529 2.661 20 0 HFADLO CC(C)(C)OC(=O)NC[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC000792118067 1077704076 /nfs/dbraw/zinc/70/40/76/1077704076.db2.gz UVAMNYXSISVDQC-GOSISDBHSA-N 1 2 423.529 2.661 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccccc2-c2c(F)cccc2F)[nH+]1 ZINC000789601589 1077704614 /nfs/dbraw/zinc/70/46/14/1077704614.db2.gz SDNVTLYTTPPVGS-UHFFFAOYSA-N 1 2 418.791 2.938 20 0 HFADLO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000792152917 1077724173 /nfs/dbraw/zinc/72/41/73/1077724173.db2.gz MPBJSTGWNGVRLO-OAUYIBNBSA-N 1 2 412.481 2.922 20 0 HFADLO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000792152917 1077724179 /nfs/dbraw/zinc/72/41/79/1077724179.db2.gz MPBJSTGWNGVRLO-OAUYIBNBSA-N 1 2 412.481 2.922 20 0 HFADLO C[C@H](CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)NC(=O)OC(C)(C)C ZINC000792190353 1077739364 /nfs/dbraw/zinc/73/93/64/1077739364.db2.gz ZWIRPQCVNKFRBY-CQSZACIVSA-N 1 2 410.946 2.911 20 0 HFADLO C[C@H](CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)NC(=O)OC(C)(C)C ZINC000792190353 1077739369 /nfs/dbraw/zinc/73/93/69/1077739369.db2.gz ZWIRPQCVNKFRBY-CQSZACIVSA-N 1 2 410.946 2.911 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)CC1 ZINC000792215397 1077768929 /nfs/dbraw/zinc/76/89/29/1077768929.db2.gz PEQTYKFEFVQZRE-QZTJIDSGSA-N 1 2 407.555 2.680 20 0 HFADLO Cc1ccc2nc(C3CC3)cc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2c1 ZINC000746850976 1077783397 /nfs/dbraw/zinc/78/33/97/1077783397.db2.gz UQTOSFIHGLHUTO-UHFFFAOYSA-N 1 2 415.559 2.659 20 0 HFADLO C[C@@H](CC(=O)c1cccs1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792272884 1077788194 /nfs/dbraw/zinc/78/81/94/1077788194.db2.gz DQCBZIWNKALMQO-HNNXBMFYSA-N 1 2 409.552 2.768 20 0 HFADLO O=C(Nc1ccc(OCc2cccnc2)cc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789795333 1077801288 /nfs/dbraw/zinc/80/12/88/1077801288.db2.gz ACHQXARHMFPRFY-OAQYLSRUSA-N 1 2 418.453 2.674 20 0 HFADLO CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000792336598 1077825199 /nfs/dbraw/zinc/82/51/99/1077825199.db2.gz DQXYZGUATITCEG-IRXDYDNUSA-N 1 2 402.470 2.762 20 0 HFADLO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000792389017 1077830910 /nfs/dbraw/zinc/83/09/10/1077830910.db2.gz GFBYAOPFBLLFRE-UHFFFAOYSA-N 1 2 412.465 2.595 20 0 HFADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000746863856 1077878283 /nfs/dbraw/zinc/87/82/83/1077878283.db2.gz HXQSMOSJIWERFB-UHFFFAOYSA-N 1 2 411.911 2.541 20 0 HFADLO CCCCc1nc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)c(C(=O)OCC)[nH]1 ZINC000792554966 1077901549 /nfs/dbraw/zinc/90/15/49/1077901549.db2.gz ILWOEPGWYYRXSZ-UHFFFAOYSA-N 1 2 416.526 2.513 20 0 HFADLO CCC[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](O)c1ccccc1 ZINC000792567718 1077907014 /nfs/dbraw/zinc/90/70/14/1077907014.db2.gz BMBDHWGVEAZLOP-YKSBVNFPSA-N 1 2 424.545 2.529 20 0 HFADLO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1[C@@H](C)Cc1ccccc1Cl ZINC001170275837 1077926822 /nfs/dbraw/zinc/92/68/22/1077926822.db2.gz YUYSVPIKERXIJI-YOEHRIQHSA-N 1 2 400.914 2.794 20 0 HFADLO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1[C@@H](C)Cc1ccccc1Cl ZINC001170275837 1077926828 /nfs/dbraw/zinc/92/68/28/1077926828.db2.gz YUYSVPIKERXIJI-YOEHRIQHSA-N 1 2 400.914 2.794 20 0 HFADLO C[C@@H](Cc1ccccc1Cl)[N@@H+]1C[C@@H]2c3nc(N(C)C)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001170279157 1077935111 /nfs/dbraw/zinc/93/51/11/1077935111.db2.gz ZXBNAAJSRHXCMJ-QANKJYHBSA-N 1 2 420.966 2.523 20 0 HFADLO C[C@@H](Cc1ccccc1Cl)[N@H+]1C[C@@H]2c3nc(N(C)C)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001170279157 1077935114 /nfs/dbraw/zinc/93/51/14/1077935114.db2.gz ZXBNAAJSRHXCMJ-QANKJYHBSA-N 1 2 420.966 2.523 20 0 HFADLO O=C(NC[C@@H](O)c1ccccc1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000772811674 1077944553 /nfs/dbraw/zinc/94/45/53/1077944553.db2.gz SMOQBGVMKAOLLI-HXUWFJFHSA-N 1 2 404.470 2.675 20 0 HFADLO O=C(c1cnn(-c2ccccc2F)c1C(F)(F)F)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001170128519 1077957245 /nfs/dbraw/zinc/95/72/45/1077957245.db2.gz FNEKCMFMROPBSB-AWEZNQCLSA-N 1 2 408.359 2.540 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cnn(-c3ccccc3)c2Br)C[C@H](C)O1 ZINC000790121449 1077957724 /nfs/dbraw/zinc/95/77/24/1077957724.db2.gz HJPDDJUFELMMEH-GASCZTMLSA-N 1 2 421.339 2.816 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cnn(-c3ccccc3)c2Br)C[C@H](C)O1 ZINC000790121449 1077957725 /nfs/dbraw/zinc/95/77/25/1077957725.db2.gz HJPDDJUFELMMEH-GASCZTMLSA-N 1 2 421.339 2.816 20 0 HFADLO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3scnc3Br)n2)c1C ZINC000790164673 1077963886 /nfs/dbraw/zinc/96/38/86/1077963886.db2.gz PPUPUTZDIPNWJW-UHFFFAOYSA-N 1 2 423.296 2.818 20 0 HFADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000790276329 1077982773 /nfs/dbraw/zinc/98/27/73/1077982773.db2.gz KWIQQYUUEVQRIP-HNNXBMFYSA-N 1 2 400.516 2.836 20 0 HFADLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000790276329 1077982774 /nfs/dbraw/zinc/98/27/74/1077982774.db2.gz KWIQQYUUEVQRIP-HNNXBMFYSA-N 1 2 400.516 2.836 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000790343473 1078007957 /nfs/dbraw/zinc/00/79/57/1078007957.db2.gz ZDXISHUUCHHURU-GJZGRUSLSA-N 1 2 400.516 2.835 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000790343473 1078007962 /nfs/dbraw/zinc/00/79/62/1078007962.db2.gz ZDXISHUUCHHURU-GJZGRUSLSA-N 1 2 400.516 2.835 20 0 HFADLO CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)NCc2ccn3cc[nH+]c3c2)cn1 ZINC000790425323 1078023588 /nfs/dbraw/zinc/02/35/88/1078023588.db2.gz NZJXYISUOUBEFJ-OAQYLSRUSA-N 1 2 418.501 2.996 20 0 HFADLO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790434646 1078029853 /nfs/dbraw/zinc/02/98/53/1078029853.db2.gz RXBCPABORBROKZ-CIISACIHSA-N 1 2 407.881 2.606 20 0 HFADLO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790434646 1078029857 /nfs/dbraw/zinc/02/98/57/1078029857.db2.gz RXBCPABORBROKZ-CIISACIHSA-N 1 2 407.881 2.606 20 0 HFADLO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1c(F)ccc(I)c1F ZINC000792981726 1078030967 /nfs/dbraw/zinc/03/09/67/1078030967.db2.gz ISNXVEPRFVNRAG-UHFFFAOYSA-N 1 2 417.259 2.872 20 0 HFADLO COCC[N@H+](Cn1nc(-c2ccco2)n(CCC(N)=O)c1=S)[C@H]1CC[C@@H](C)C1 ZINC000790478799 1078040641 /nfs/dbraw/zinc/04/06/41/1078040641.db2.gz MHZOIDYLTBYAGS-CABCVRRESA-N 1 2 407.540 2.644 20 0 HFADLO COCC[N@@H+](Cn1nc(-c2ccco2)n(CCC(N)=O)c1=S)[C@H]1CC[C@@H](C)C1 ZINC000790478799 1078040645 /nfs/dbraw/zinc/04/06/45/1078040645.db2.gz MHZOIDYLTBYAGS-CABCVRRESA-N 1 2 407.540 2.644 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000806286684 1079537183 /nfs/dbraw/zinc/53/71/83/1079537183.db2.gz HEJMTRFDJUWWPF-SFHVURJKSA-N 1 2 406.502 2.662 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3cnn(C(C)(C)C)c3)C2)CC1 ZINC000806311258 1079564189 /nfs/dbraw/zinc/56/41/89/1079564189.db2.gz BJNLFYAGWZWANU-KRWDZBQOSA-N 1 2 420.558 2.797 20 0 HFADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000806294674 1079582845 /nfs/dbraw/zinc/58/28/45/1079582845.db2.gz AZFZJCMIVDRAGF-OAQYLSRUSA-N 1 2 423.561 2.610 20 0 HFADLO Cc1ccc(CCC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(C)c1 ZINC000806328717 1079601350 /nfs/dbraw/zinc/60/13/50/1079601350.db2.gz OEHDDIMJJINOMY-UHFFFAOYSA-N 1 2 424.541 2.928 20 0 HFADLO Cc1nc(C)c(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC000806336069 1079606925 /nfs/dbraw/zinc/60/69/25/1079606925.db2.gz ILCOCNSRILTXRP-OAHLLOKOSA-N 1 2 409.556 2.919 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3ccnc(Cl)c3)C2)CC1 ZINC000806379934 1079628283 /nfs/dbraw/zinc/62/82/83/1079628283.db2.gz WOBDZXUDRZHVSB-HNNXBMFYSA-N 1 2 409.918 2.894 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000806358510 1079646694 /nfs/dbraw/zinc/64/66/94/1079646694.db2.gz QKDNEHJFBOSRIX-KRWDZBQOSA-N 1 2 419.526 2.701 20 0 HFADLO Cc1nccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1Cl ZINC000806401911 1079690148 /nfs/dbraw/zinc/69/01/48/1079690148.db2.gz QDEAUTXSJFXBPT-OAHLLOKOSA-N 1 2 423.945 2.624 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3cccc4c3OCO4)C2)CC1 ZINC000806403646 1079692137 /nfs/dbraw/zinc/69/21/37/1079692137.db2.gz LCBAUUAEYJXHHA-OAHLLOKOSA-N 1 2 418.494 2.574 20 0 HFADLO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806571626 1079830478 /nfs/dbraw/zinc/83/04/78/1079830478.db2.gz LEGMKHILBUNJIE-MRXNPFEDSA-N 1 2 403.523 2.960 20 0 HFADLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000806670977 1079905826 /nfs/dbraw/zinc/90/58/26/1079905826.db2.gz KZTTVINUTFFCCH-YDZRNGNQSA-N 1 2 424.586 2.527 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCC3CCC(F)(F)CC3)CC2)cc1 ZINC000806770236 1079990666 /nfs/dbraw/zinc/99/06/66/1079990666.db2.gz XBKNZFJDRPDFFH-UHFFFAOYSA-N 1 2 422.520 2.779 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806801451 1080018563 /nfs/dbraw/zinc/01/85/63/1080018563.db2.gz ZCLUEQADRZVVTP-VIFPVBQESA-N 1 2 411.222 2.705 20 0 HFADLO C[C@]1(c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)cc2)NC(=O)NC1=O ZINC000747359703 1080031278 /nfs/dbraw/zinc/03/12/78/1080031278.db2.gz CXNCNDBBGKLEOX-WMZHIEFXSA-N 1 2 424.476 2.874 20 0 HFADLO C[C@]1(c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)cc2)NC(=O)NC1=O ZINC000747359703 1080031287 /nfs/dbraw/zinc/03/12/87/1080031287.db2.gz CXNCNDBBGKLEOX-WMZHIEFXSA-N 1 2 424.476 2.874 20 0 HFADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2(Cc3cccc(F)c3)CCCCC2)CC1 ZINC000806828441 1080042556 /nfs/dbraw/zinc/04/25/56/1080042556.db2.gz GLXGXOUJMIDDQH-UHFFFAOYSA-N 1 2 424.582 2.944 20 0 HFADLO CC[C@H](NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccncc1 ZINC000806855100 1080060121 /nfs/dbraw/zinc/06/01/21/1080060121.db2.gz YZWYRYZWZWHNLD-MOPGFXCFSA-N 1 2 417.554 2.869 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCC(C3CC3)C3CC3)C2)CC1 ZINC000806880618 1080078382 /nfs/dbraw/zinc/07/83/82/1080078382.db2.gz XCCFMDBVTWCRCA-GOSISDBHSA-N 1 2 406.571 2.759 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000806888322 1080085122 /nfs/dbraw/zinc/08/51/22/1080085122.db2.gz GQGVCDVOCXETCD-ZWKOTPCHSA-N 1 2 413.534 2.866 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000806888322 1080085133 /nfs/dbraw/zinc/08/51/33/1080085133.db2.gz GQGVCDVOCXETCD-ZWKOTPCHSA-N 1 2 413.534 2.866 20 0 HFADLO COc1ccc2cc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)ccc2c1 ZINC000806942167 1080151628 /nfs/dbraw/zinc/15/16/28/1080151628.db2.gz OIKHDFPGRKWEJX-NHCUHLMSSA-N 1 2 411.502 2.547 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@@]3(C)CCCS3)CC2)C1 ZINC000806955543 1080166307 /nfs/dbraw/zinc/16/63/07/1080166307.db2.gz ASMMCAHOSSOORR-OXJNMPFZSA-N 1 2 412.600 2.609 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC001130832653 1080252783 /nfs/dbraw/zinc/25/27/83/1080252783.db2.gz JXDGFLGJURIPDP-LPHOPBHVSA-N 1 2 403.523 2.819 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807103590 1080282394 /nfs/dbraw/zinc/28/23/94/1080282394.db2.gz OITHLQVBFSENPL-QZTJIDSGSA-N 1 2 424.586 2.528 20 0 HFADLO Cc1cn2cc(NC(=O)CN3CCN(C(=O)OCc4ccccc4)CC3)ccc2[nH+]1 ZINC000747372429 1080294277 /nfs/dbraw/zinc/29/42/77/1080294277.db2.gz GLOKBIJBPNRAMI-UHFFFAOYSA-N 1 2 407.474 2.536 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000807196861 1080345322 /nfs/dbraw/zinc/34/53/22/1080345322.db2.gz QDMPXZNSRYQVSH-HOTGVXAUSA-N 1 2 416.513 2.758 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000807198200 1080347820 /nfs/dbraw/zinc/34/78/20/1080347820.db2.gz PNOCQVQFIWCNSV-HSALFYBXSA-N 1 2 414.550 2.879 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCC(C)(C)C(F)(F)F)CC2)C1 ZINC000807211944 1080360740 /nfs/dbraw/zinc/36/07/40/1080360740.db2.gz KJYKFRFDZFHIEW-AWEZNQCLSA-N 1 2 422.492 2.912 20 0 HFADLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001170520702 1080416091 /nfs/dbraw/zinc/41/60/91/1080416091.db2.gz ZIYKXAPNKXLKIB-INIZCTEOSA-N 1 2 400.910 2.978 20 0 HFADLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001170520702 1080416096 /nfs/dbraw/zinc/41/60/96/1080416096.db2.gz ZIYKXAPNKXLKIB-INIZCTEOSA-N 1 2 400.910 2.978 20 0 HFADLO O=C([C@H](c1cccc(Br)c1)[NH+]1CCCC1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001130894632 1080425920 /nfs/dbraw/zinc/42/59/20/1080425920.db2.gz RNBGATAXKDROFG-SUMDDJOVSA-N 1 2 420.351 2.713 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC000807280691 1080439394 /nfs/dbraw/zinc/43/93/94/1080439394.db2.gz MVYRTJRFMMWQSV-HNNXBMFYSA-N 1 2 400.822 2.695 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(OCc2ccccc2C)c1 ZINC000807281161 1080439737 /nfs/dbraw/zinc/43/97/37/1080439737.db2.gz PMIYWNUTPFZFIM-OAQYLSRUSA-N 1 2 407.470 2.671 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000807280465 1080440107 /nfs/dbraw/zinc/44/01/07/1080440107.db2.gz KKHTUOGMSLFZFA-QGZVFWFLSA-N 1 2 421.482 2.769 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000807281698 1080440914 /nfs/dbraw/zinc/44/09/14/1080440914.db2.gz VOTCQGBCSONNIP-LBPRGKRZSA-N 1 2 420.185 2.636 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000807282643 1080442154 /nfs/dbraw/zinc/44/21/54/1080442154.db2.gz PFLRYMMOVKSHFD-NRFANRHFSA-N 1 2 418.453 2.915 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000807284540 1080445499 /nfs/dbraw/zinc/44/54/99/1080445499.db2.gz NNXZCUCSNAIRFW-GOSISDBHSA-N 1 2 408.389 2.802 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl ZINC000807285432 1080448293 /nfs/dbraw/zinc/44/82/93/1080448293.db2.gz WHTGDUOPXMSQGL-SFHVURJKSA-N 1 2 423.860 2.847 20 0 HFADLO CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000747388199 1080464858 /nfs/dbraw/zinc/46/48/58/1080464858.db2.gz FFBIYEYIMVOPDN-SJORKVTESA-N 1 2 415.431 2.802 20 0 HFADLO CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000747388199 1080464860 /nfs/dbraw/zinc/46/48/60/1080464860.db2.gz FFBIYEYIMVOPDN-SJORKVTESA-N 1 2 415.431 2.802 20 0 HFADLO C[C@H](c1cccc(NC(=O)C(=O)Nc2ccc(F)c([C@H](C)O)c2)c1)[NH+]1CCOCC1 ZINC000807398478 1080594876 /nfs/dbraw/zinc/59/48/76/1080594876.db2.gz VCPAMXAFZGRHBG-CABCVRRESA-N 1 2 415.465 2.849 20 0 HFADLO C[C@H](CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)Cn1cc[nH+]c1 ZINC000747401465 1080765380 /nfs/dbraw/zinc/76/53/80/1080765380.db2.gz XNBLAIDRYWQATK-CYBMUJFWSA-N 1 2 403.533 2.577 20 0 HFADLO Cc1cccc(C)c1-n1nnnc1C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001560100363 1126207716 /nfs/dbraw/zinc/20/77/16/1126207716.db2.gz JTUILVJOSNLMPY-LPHOPBHVSA-N 1 2 405.424 2.903 20 0 HFADLO COc1nc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164674484 719500449 /nfs/dbraw/zinc/50/04/49/719500449.db2.gz YGIKPJOXXRHXIC-UHFFFAOYSA-N 1 2 407.877 2.544 20 0 HFADLO COc1nc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164674484 719500456 /nfs/dbraw/zinc/50/04/56/719500456.db2.gz YGIKPJOXXRHXIC-UHFFFAOYSA-N 1 2 407.877 2.544 20 0 HFADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)cn1 ZINC001164673653 719506762 /nfs/dbraw/zinc/50/67/62/719506762.db2.gz QIYZXQYVOCAYNJ-UHFFFAOYSA-N 1 2 414.481 2.664 20 0 HFADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)cn1 ZINC001164673653 719506771 /nfs/dbraw/zinc/50/67/71/719506771.db2.gz QIYZXQYVOCAYNJ-UHFFFAOYSA-N 1 2 414.481 2.664 20 0 HFADLO CCNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164670009 719515844 /nfs/dbraw/zinc/51/58/44/719515844.db2.gz APDYNXMJBIXCNU-UHFFFAOYSA-N 1 2 412.509 2.842 20 0 HFADLO CCNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164670009 719515853 /nfs/dbraw/zinc/51/58/53/719515853.db2.gz APDYNXMJBIXCNU-UHFFFAOYSA-N 1 2 412.509 2.842 20 0 HFADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(Cn4cncn4)cn2)CC3)cc1 ZINC001164673946 719522165 /nfs/dbraw/zinc/52/21/65/719522165.db2.gz UREWRJAPLBYWQP-UHFFFAOYSA-N 1 2 422.508 2.732 20 0 HFADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(Cn4cncn4)cn2)CC3)cc1 ZINC001164673946 719522170 /nfs/dbraw/zinc/52/21/70/719522170.db2.gz UREWRJAPLBYWQP-UHFFFAOYSA-N 1 2 422.508 2.732 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Oc2ccccc2)ncn1 ZINC001164705806 719844942 /nfs/dbraw/zinc/84/49/42/719844942.db2.gz VUITWIDPLFKWAM-JTSKRJEESA-N 1 2 412.490 2.502 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2nccc(Cl)c2n1 ZINC001164701190 719864842 /nfs/dbraw/zinc/86/48/42/719864842.db2.gz FSMPLQYPTVPNMW-XOBRGWDASA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(C)nc(C2CC2)nc1Cl ZINC001164707946 719870981 /nfs/dbraw/zinc/87/09/81/719870981.db2.gz WQSDJCYHCWDULB-FOIQADDNSA-N 1 2 408.930 2.549 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2cccs2)n1 ZINC001164707429 719872377 /nfs/dbraw/zinc/87/23/77/719872377.db2.gz SLGPGNFLOAPOPF-IIBYNOLFSA-N 1 2 416.547 2.746 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(CC(C)C)nc(Cl)c1C ZINC001164708463 719876722 /nfs/dbraw/zinc/87/67/22/719876722.db2.gz ZKGOCNJOSGFJPS-HRAATJIYSA-N 1 2 424.973 2.870 20 0 HFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc3cc(Cl)ccc31)CC2 ZINC001164709228 719902788 /nfs/dbraw/zinc/90/27/88/719902788.db2.gz RAJOICAHQKFPHJ-UHFFFAOYSA-N 1 2 424.936 2.572 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)cc(Cl)n4)CC3)C2=O)cs1 ZINC001164824873 720357826 /nfs/dbraw/zinc/35/78/26/720357826.db2.gz OZONFMNRLFTHCR-UHFFFAOYSA-N 1 2 420.970 2.517 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)cc(Cl)n4)CC3)C2=O)cs1 ZINC001164824873 720357836 /nfs/dbraw/zinc/35/78/36/720357836.db2.gz OZONFMNRLFTHCR-UHFFFAOYSA-N 1 2 420.970 2.517 20 0 HFADLO FC(F)(c1nc(Cl)ncc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164831069 720398225 /nfs/dbraw/zinc/39/82/25/720398225.db2.gz UMHBVUYROLZTII-UHFFFAOYSA-N 1 2 415.235 2.575 20 0 HFADLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164769560 721068024 /nfs/dbraw/zinc/06/80/24/721068024.db2.gz OVMINKWNQDWZPB-GPMSIDNRSA-N 1 2 402.926 2.970 20 0 HFADLO Cn1cccc1C(=O)N[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164769560 721068026 /nfs/dbraw/zinc/06/80/26/721068026.db2.gz OVMINKWNQDWZPB-GPMSIDNRSA-N 1 2 402.926 2.970 20 0 HFADLO FC(F)(c1ccc(Cl)nn1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767707 721272470 /nfs/dbraw/zinc/27/24/70/721272470.db2.gz SEJJSXHTKUVTKN-CYBMUJFWSA-N 1 2 406.824 2.982 20 0 HFADLO CSc1nc2ncnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2s1 ZINC001165009369 721708858 /nfs/dbraw/zinc/70/88/58/721708858.db2.gz SWODJPDFVJIBBM-UHFFFAOYSA-N 1 2 404.569 2.650 20 0 HFADLO CSc1nc2ncnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2s1 ZINC001165009369 721708860 /nfs/dbraw/zinc/70/88/60/721708860.db2.gz SWODJPDFVJIBBM-UHFFFAOYSA-N 1 2 404.569 2.650 20 0 HFADLO COc1nc(Cl)ncc1C(F)(F)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009188 721711155 /nfs/dbraw/zinc/71/11/55/721711155.db2.gz RHXKBZKGNWASBJ-UHFFFAOYSA-N 1 2 415.876 2.526 20 0 HFADLO COc1nc(Cl)ncc1C(F)(F)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009188 721711163 /nfs/dbraw/zinc/71/11/63/721711163.db2.gz RHXKBZKGNWASBJ-UHFFFAOYSA-N 1 2 415.876 2.526 20 0 HFADLO COc1ccccc1-c1ccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nn1 ZINC001165009069 721713659 /nfs/dbraw/zinc/71/36/59/721713659.db2.gz OGHFWZCQCTWKAS-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO COc1ccccc1-c1ccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nn1 ZINC001165009069 721713661 /nfs/dbraw/zinc/71/36/61/721713661.db2.gz OGHFWZCQCTWKAS-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO COc1cc(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc(Cl)n1 ZINC001165012027 721721467 /nfs/dbraw/zinc/72/14/67/721721467.db2.gz YZZCONJCPZAPOC-UHFFFAOYSA-N 1 2 415.876 2.526 20 0 HFADLO COc1cc(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc(Cl)n1 ZINC001165012027 721721472 /nfs/dbraw/zinc/72/14/72/721721472.db2.gz YZZCONJCPZAPOC-UHFFFAOYSA-N 1 2 415.876 2.526 20 0 HFADLO CCOc1ccc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916344 721785754 /nfs/dbraw/zinc/78/57/54/721785754.db2.gz QBIYTLLVFYQXJZ-NRFANRHFSA-N 1 2 418.925 2.637 20 0 HFADLO CCOc1ccc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916344 721785756 /nfs/dbraw/zinc/78/57/56/721785756.db2.gz QBIYTLLVFYQXJZ-NRFANRHFSA-N 1 2 418.925 2.637 20 0 HFADLO CC(C)c1c(Cl)ncnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915639 721799894 /nfs/dbraw/zinc/79/98/94/721799894.db2.gz XETINCURFZPNDY-OAQYLSRUSA-N 1 2 417.941 2.756 20 0 HFADLO CC(C)c1c(Cl)ncnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915639 721799896 /nfs/dbraw/zinc/79/98/96/721799896.db2.gz XETINCURFZPNDY-OAQYLSRUSA-N 1 2 417.941 2.756 20 0 HFADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1 ZINC001164915918 721812205 /nfs/dbraw/zinc/81/22/05/721812205.db2.gz DKEFRDBBNGISMQ-UHFFFAOYSA-N 1 2 403.914 2.858 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncccc2C(=O)N2CCCCC2)CC1 ZINC001164917616 721812634 /nfs/dbraw/zinc/81/26/34/721812634.db2.gz NZAWZTUZHZDLIJ-UHFFFAOYSA-N 1 2 408.550 2.654 20 0 HFADLO CCCSc1ncnc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1OC ZINC001164918251 721821684 /nfs/dbraw/zinc/82/16/84/721821684.db2.gz DROLKFOIFPEYIQ-UHFFFAOYSA-N 1 2 402.568 2.933 20 0 HFADLO COc1cc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946707 721969844 /nfs/dbraw/zinc/96/98/44/721969844.db2.gz VKBKUDRAKMTLDM-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO COc1cc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946707 721969847 /nfs/dbraw/zinc/96/98/47/721969847.db2.gz VKBKUDRAKMTLDM-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc3nc[nH]c3cc1Cl)CC2 ZINC001164948286 721975763 /nfs/dbraw/zinc/97/57/63/721975763.db2.gz WYQGJVIKJWGJHL-UHFFFAOYSA-N 1 2 410.909 2.582 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc3nc[nH]c3cc1Cl)CC2 ZINC001164948286 721975766 /nfs/dbraw/zinc/97/57/66/721975766.db2.gz WYQGJVIKJWGJHL-UHFFFAOYSA-N 1 2 410.909 2.582 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc3ncc(F)cc3n1)CC2 ZINC001164945853 721977614 /nfs/dbraw/zinc/97/76/14/721977614.db2.gz GRLKQCYYBOMGDX-UHFFFAOYSA-N 1 2 405.477 2.740 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc3ncc(F)cc3n1)CC2 ZINC001164945853 721977615 /nfs/dbraw/zinc/97/76/15/721977615.db2.gz GRLKQCYYBOMGDX-UHFFFAOYSA-N 1 2 405.477 2.740 20 0 HFADLO C[C@@]1(C2CCCCC2)NC(=O)N(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)C1=O ZINC000790464900 1078044434 /nfs/dbraw/zinc/04/44/34/1078044434.db2.gz DPJARWHSEVMGSO-NRFANRHFSA-N 1 2 404.486 2.912 20 0 HFADLO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1nnnn1C1CC1 ZINC000790534546 1078053116 /nfs/dbraw/zinc/05/31/16/1078053116.db2.gz QPMTXNMVDAWXGL-MLGOLLRUSA-N 1 2 408.428 2.869 20 0 HFADLO CC(C)Cc1ccccc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000790631394 1078068061 /nfs/dbraw/zinc/06/80/61/1078068061.db2.gz DYWNBPGFEMTRRK-FQEVSTJZSA-N 1 2 423.561 2.911 20 0 HFADLO CC(C)Cc1ccccc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000790631394 1078068064 /nfs/dbraw/zinc/06/80/64/1078068064.db2.gz DYWNBPGFEMTRRK-FQEVSTJZSA-N 1 2 423.561 2.911 20 0 HFADLO C[NH+](C)[C@@H]1CCN(c2ccc(NS(=O)(=O)c3cnc(Cl)c(Cl)c3)nc2)C1 ZINC000772829319 1078098863 /nfs/dbraw/zinc/09/88/63/1078098863.db2.gz ZDFGMVRJHPCBAY-GFCCVEGCSA-N 1 2 416.334 2.725 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000793252619 1078110987 /nfs/dbraw/zinc/11/09/87/1078110987.db2.gz HYLADRIWFGTVGK-UHFFFAOYSA-N 1 2 403.435 2.760 20 0 HFADLO Cc1cc(N2C[C@H](C(=O)OCCc3c[nH+]cn3C)CC2=O)ccc1Br ZINC000793253776 1078111080 /nfs/dbraw/zinc/11/10/80/1078111080.db2.gz RDLCRODFLQNETQ-CYBMUJFWSA-N 1 2 406.280 2.630 20 0 HFADLO CCOc1ccc(-c2nnn(C[N@@H+]3CC[C@@](C(=O)OC)(c4ccccc4)C3)n2)cc1 ZINC000793597467 1078219806 /nfs/dbraw/zinc/21/98/06/1078219806.db2.gz LLGKDPIHJROVHN-QFIPXVFZSA-N 1 2 407.474 2.513 20 0 HFADLO CCOc1ccc(-c2nnn(C[N@H+]3CC[C@@](C(=O)OC)(c4ccccc4)C3)n2)cc1 ZINC000793597467 1078219811 /nfs/dbraw/zinc/21/98/11/1078219811.db2.gz LLGKDPIHJROVHN-QFIPXVFZSA-N 1 2 407.474 2.513 20 0 HFADLO C[N@@H+]1CCN(Cc2cnc(-c3ccncc3)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793607675 1078224251 /nfs/dbraw/zinc/22/42/51/1078224251.db2.gz SXNWEOIDFBXWDY-MRXNPFEDSA-N 1 2 403.552 2.846 20 0 HFADLO C[N@H+]1CCN(Cc2cnc(-c3ccncc3)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793607675 1078224255 /nfs/dbraw/zinc/22/42/55/1078224255.db2.gz SXNWEOIDFBXWDY-MRXNPFEDSA-N 1 2 403.552 2.846 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cs1 ZINC000793621265 1078229838 /nfs/dbraw/zinc/22/98/38/1078229838.db2.gz JBJYHSKMZYXIDO-UHFFFAOYSA-N 1 2 405.524 2.953 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cs1 ZINC000793621265 1078229840 /nfs/dbraw/zinc/22/98/40/1078229840.db2.gz JBJYHSKMZYXIDO-UHFFFAOYSA-N 1 2 405.524 2.953 20 0 HFADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)N[C@H](C)COc2ccccc2)c(C)c1 ZINC000793684376 1078254200 /nfs/dbraw/zinc/25/42/00/1078254200.db2.gz ADKZFBNZLFFEHQ-DENIHFKCSA-N 1 2 420.513 2.941 20 0 HFADLO Cc1ccccc1C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000793684082 1078254516 /nfs/dbraw/zinc/25/45/16/1078254516.db2.gz XWIWYLJSUWXBAJ-LJQANCHMSA-N 1 2 422.573 2.893 20 0 HFADLO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000793716171 1078262963 /nfs/dbraw/zinc/26/29/63/1078262963.db2.gz XSUOOSRJUIILMC-YSGRDPCXSA-N 1 2 415.921 2.785 20 0 HFADLO C[C@H](COc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000793716171 1078262965 /nfs/dbraw/zinc/26/29/65/1078262965.db2.gz XSUOOSRJUIILMC-YSGRDPCXSA-N 1 2 415.921 2.785 20 0 HFADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000793721615 1078266142 /nfs/dbraw/zinc/26/61/42/1078266142.db2.gz YSDPARFYXQMEBD-IEBWSBKVSA-N 1 2 424.526 2.665 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000793877304 1078332378 /nfs/dbraw/zinc/33/23/78/1078332378.db2.gz VDGQZHGQTHAXFE-UHFFFAOYSA-N 1 2 418.391 2.899 20 0 HFADLO COC(=O)c1ccc(CS[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000793953957 1078346661 /nfs/dbraw/zinc/34/66/61/1078346661.db2.gz WSKHDXKEAVGTIO-OAHLLOKOSA-N 1 2 417.506 2.978 20 0 HFADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@@H](O)C[C@H](O)c2ccccc2)c1 ZINC001170441988 1078369141 /nfs/dbraw/zinc/36/91/41/1078369141.db2.gz CABILLPYMJOOHW-YSSFQJQWSA-N 1 2 424.335 2.908 20 0 HFADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@@H](O)C[C@H](O)c2ccccc2)c1 ZINC001170441988 1078369145 /nfs/dbraw/zinc/36/91/45/1078369145.db2.gz CABILLPYMJOOHW-YSSFQJQWSA-N 1 2 424.335 2.908 20 0 HFADLO CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001129398256 1078438814 /nfs/dbraw/zinc/43/88/14/1078438814.db2.gz OQNXQEIRZPETAM-QFIPXVFZSA-N 1 2 421.541 2.537 20 0 HFADLO CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001129398256 1078438820 /nfs/dbraw/zinc/43/88/20/1078438820.db2.gz OQNXQEIRZPETAM-QFIPXVFZSA-N 1 2 421.541 2.537 20 0 HFADLO CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001129401417 1078454046 /nfs/dbraw/zinc/45/40/46/1078454046.db2.gz FSCGXQZJZCGCGW-UXHICEINSA-N 1 2 421.969 2.647 20 0 HFADLO CNC(=O)Nc1cc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)ccc1F ZINC000804397746 1078462205 /nfs/dbraw/zinc/46/22/05/1078462205.db2.gz GOXJIQRCTNIEPY-UHFFFAOYSA-N 1 2 423.489 2.505 20 0 HFADLO CCOC(=O)N1[C@H](C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC[C@H]1c1ccc(C)o1 ZINC000804435993 1078479056 /nfs/dbraw/zinc/47/90/56/1078479056.db2.gz LBMKZBDDUIHLPM-YSHGAJCASA-N 1 2 419.522 2.572 20 0 HFADLO CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)Nc3ccn4cc[nH+]c4c3)nn2)CC1 ZINC001129479889 1078480050 /nfs/dbraw/zinc/48/00/50/1078480050.db2.gz CJEQFCNYSUFWRY-UHFFFAOYSA-N 1 2 411.466 2.750 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)c2csc(-c3c(F)cccc3F)n2)CC1 ZINC001129822451 1078517121 /nfs/dbraw/zinc/51/71/21/1078517121.db2.gz CIHSGOFSZNYMNC-UHFFFAOYSA-N 1 2 411.474 2.508 20 0 HFADLO Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)NCCc3cn(C)c[nH+]3)cc2)c1 ZINC001129536217 1078548593 /nfs/dbraw/zinc/54/85/93/1078548593.db2.gz CZZKAGYPBNDTMQ-UHFFFAOYSA-N 1 2 413.499 2.777 20 0 HFADLO CC[C@@H]1CC([NH2+]Cc2noc(C(=O)N(C)C)n2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170465571 1078596054 /nfs/dbraw/zinc/59/60/54/1078596054.db2.gz PWLHOPFNGCFVDJ-HUUCEWRRSA-N 1 2 409.531 2.818 20 0 HFADLO Cc1ccccc1NCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760567 1078609177 /nfs/dbraw/zinc/60/91/77/1078609177.db2.gz MBUOVFPMEBZAMO-LJQANCHMSA-N 1 2 416.566 2.951 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnc4ccccc4c3)C2)CC1 ZINC000804763403 1078615789 /nfs/dbraw/zinc/61/57/89/1078615789.db2.gz YOUPVMYMDKGBJW-HXUWFJFHSA-N 1 2 424.545 2.931 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CCCc3nccs3)C2)CC1 ZINC000804764216 1078619477 /nfs/dbraw/zinc/61/94/77/1078619477.db2.gz VKGDZEGIKIGSND-INIZCTEOSA-N 1 2 408.568 2.619 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c([C@@H](C)O)c2)[C@@H]1c1c[nH+]cn1C ZINC000804799515 1078631268 /nfs/dbraw/zinc/63/12/68/1078631268.db2.gz ADAHKAFKNLCBNQ-WAWZGNHOSA-N 1 2 402.470 2.941 20 0 HFADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1csc(-c2ccccn2)n1 ZINC000747213104 1078631937 /nfs/dbraw/zinc/63/19/37/1078631937.db2.gz SCCNICFBRGTYAH-UHFFFAOYSA-N 1 2 424.526 2.846 20 0 HFADLO C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC001129649041 1078639204 /nfs/dbraw/zinc/63/92/04/1078639204.db2.gz MEFJOEFHHKONRH-INIZCTEOSA-N 1 2 424.526 2.533 20 0 HFADLO Cc1cc(C(F)(F)F)nc(N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804833807 1078673327 /nfs/dbraw/zinc/67/33/27/1078673327.db2.gz LWLRUBGDQMZLER-AWEZNQCLSA-N 1 2 415.460 2.935 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ccc(Br)cn3)C2)CC1 ZINC000804833628 1078674027 /nfs/dbraw/zinc/67/40/27/1078674027.db2.gz DAPJGEZWCJZFHY-OAHLLOKOSA-N 1 2 411.344 2.976 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3nccc4c3C(=O)OC4(C)C)C2)CC1 ZINC000804835126 1078677575 /nfs/dbraw/zinc/67/75/75/1078677575.db2.gz HFSHQJDPLCJEPJ-HNNXBMFYSA-N 1 2 416.522 2.619 20 0 HFADLO Cc1cc(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1F ZINC000804866120 1078690974 /nfs/dbraw/zinc/69/09/74/1078690974.db2.gz SIFMLXHSNXRCKH-SFHVURJKSA-N 1 2 420.529 2.971 20 0 HFADLO COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000804922900 1078743526 /nfs/dbraw/zinc/74/35/26/1078743526.db2.gz JLGLHYMRWVTGMP-GOSISDBHSA-N 1 2 414.428 2.709 20 0 HFADLO O=S(=O)(c1cnc(Cl)c(F)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000804943972 1078772321 /nfs/dbraw/zinc/77/23/21/1078772321.db2.gz PSPUDNURMXLAON-UHFFFAOYSA-N 1 2 401.866 2.910 20 0 HFADLO O=S(=O)(c1cnc(Cl)c(F)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000804943972 1078772328 /nfs/dbraw/zinc/77/23/28/1078772328.db2.gz PSPUDNURMXLAON-UHFFFAOYSA-N 1 2 401.866 2.910 20 0 HFADLO CC(=O)OCCCS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000804991043 1078795596 /nfs/dbraw/zinc/79/55/96/1078795596.db2.gz FJFRYKFBNQVOPU-UHFFFAOYSA-N 1 2 423.362 2.830 20 0 HFADLO CC(=O)OCCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805056070 1078869944 /nfs/dbraw/zinc/86/99/44/1078869944.db2.gz LYMBYLNFQASBQM-ROUUACIJSA-N 1 2 420.934 2.876 20 0 HFADLO CC(=O)OCCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805056070 1078869949 /nfs/dbraw/zinc/86/99/49/1078869949.db2.gz LYMBYLNFQASBQM-ROUUACIJSA-N 1 2 420.934 2.876 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000805116850 1078900914 /nfs/dbraw/zinc/90/09/14/1078900914.db2.gz BFVSJMNGCDWNDC-GOSISDBHSA-N 1 2 420.535 2.611 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C2 ZINC000805185978 1078966052 /nfs/dbraw/zinc/96/60/52/1078966052.db2.gz VWSOZKVWPROOCB-JOCHJYFZSA-N 1 2 424.586 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)C2 ZINC000805185978 1078966054 /nfs/dbraw/zinc/96/60/54/1078966054.db2.gz VWSOZKVWPROOCB-JOCHJYFZSA-N 1 2 424.586 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC[C@]3(C)CCCS3)C2)CC1 ZINC000805199864 1078972091 /nfs/dbraw/zinc/97/20/91/1078972091.db2.gz GUQYCUSCKBRBDW-JXFKEZNVSA-N 1 2 412.600 2.609 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCC34CCC(CC3)C4)C2)CC1 ZINC000805235173 1078977596 /nfs/dbraw/zinc/97/75/96/1078977596.db2.gz WXJDAJIIDOTKDU-DKTYTTGXSA-N 1 2 406.571 2.903 20 0 HFADLO CC(C)[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C(F)(F)F ZINC000805330284 1079021089 /nfs/dbraw/zinc/02/10/89/1079021089.db2.gz KRCXOZKYFWAFFE-CABCVRRESA-N 1 2 422.492 2.910 20 0 HFADLO CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C(F)(F)F ZINC000805329867 1079021457 /nfs/dbraw/zinc/02/14/57/1079021457.db2.gz CSFUUWSROADYTM-KBPBESRZSA-N 1 2 408.465 2.664 20 0 HFADLO Cc1c(CC(=O)N(CCCn2cc[nH+]c2)c2ccc(Br)cn2)cnn1C ZINC001130211189 1079088543 /nfs/dbraw/zinc/08/85/43/1079088543.db2.gz ZBYZRCMNPQUCNR-UHFFFAOYSA-N 1 2 417.311 2.749 20 0 HFADLO C[C@H](CNS(=O)(=O)/C=C\c1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000747246108 1079103980 /nfs/dbraw/zinc/10/39/80/1079103980.db2.gz TWYQNOCDRHNSRE-MUMAZLPKSA-N 1 2 403.523 2.927 20 0 HFADLO C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260465 1079125286 /nfs/dbraw/zinc/12/52/86/1079125286.db2.gz XBPZXJNZDUQTEG-SOUVJXGZSA-N 1 2 418.488 2.867 20 0 HFADLO C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260465 1079125294 /nfs/dbraw/zinc/12/52/94/1079125294.db2.gz XBPZXJNZDUQTEG-SOUVJXGZSA-N 1 2 418.488 2.867 20 0 HFADLO COc1c(Br)ccc(F)c1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259654 1079148919 /nfs/dbraw/zinc/14/89/19/1079148919.db2.gz IONMBBWVRPMXAR-UTUOFQBUSA-N 1 2 403.292 2.824 20 0 HFADLO COc1c(Br)ccc(F)c1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259654 1079148922 /nfs/dbraw/zinc/14/89/22/1079148922.db2.gz IONMBBWVRPMXAR-UTUOFQBUSA-N 1 2 403.292 2.824 20 0 HFADLO CC(C)(C(=O)OCc1nnc(C(=O)NCc2ccc(F)cc2)s1)[NH+]1CCCC1 ZINC000805608588 1079159279 /nfs/dbraw/zinc/15/92/79/1079159279.db2.gz FWVWJLFBTJARHS-UHFFFAOYSA-N 1 2 406.483 2.525 20 0 HFADLO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787431 1079253628 /nfs/dbraw/zinc/25/36/28/1079253628.db2.gz POWAUPJEYPGGCL-FDPKGLCPSA-N 1 2 403.489 2.945 20 0 HFADLO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787431 1079253632 /nfs/dbraw/zinc/25/36/32/1079253632.db2.gz POWAUPJEYPGGCL-FDPKGLCPSA-N 1 2 403.489 2.945 20 0 HFADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](CCCO)Cc3ccccn3)cc2)C[C@@H](C)O1 ZINC000805755206 1079260435 /nfs/dbraw/zinc/26/04/35/1079260435.db2.gz POMSMSMGZOGICS-RTBURBONSA-N 1 2 412.534 2.518 20 0 HFADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+](CCCO)Cc3ccccn3)cc2)C[C@@H](C)O1 ZINC000805755206 1079260440 /nfs/dbraw/zinc/26/04/40/1079260440.db2.gz POMSMSMGZOGICS-RTBURBONSA-N 1 2 412.534 2.518 20 0 HFADLO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nnnn1Cc1ccccc1 ZINC000805765911 1079268259 /nfs/dbraw/zinc/26/82/59/1079268259.db2.gz RTIKISWNEMCFBW-GOSISDBHSA-N 1 2 400.527 2.991 20 0 HFADLO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cc1nnnn1Cc1ccccc1 ZINC000805765911 1079268262 /nfs/dbraw/zinc/26/82/62/1079268262.db2.gz RTIKISWNEMCFBW-GOSISDBHSA-N 1 2 400.527 2.991 20 0 HFADLO CCN(C)C(=O)CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805829028 1079299010 /nfs/dbraw/zinc/29/90/10/1079299010.db2.gz FTUFRQAFJHGMBL-YJBOKZPZSA-N 1 2 415.456 2.748 20 0 HFADLO CCN(C)C(=O)CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805829028 1079299012 /nfs/dbraw/zinc/29/90/12/1079299012.db2.gz FTUFRQAFJHGMBL-YJBOKZPZSA-N 1 2 415.456 2.748 20 0 HFADLO COC(=O)CCC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805829637 1079299026 /nfs/dbraw/zinc/29/90/26/1079299026.db2.gz OSITVXYBPXAZKO-YOEHRIQHSA-N 1 2 402.413 2.832 20 0 HFADLO COC(=O)CCC[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805829637 1079299029 /nfs/dbraw/zinc/29/90/29/1079299029.db2.gz OSITVXYBPXAZKO-YOEHRIQHSA-N 1 2 402.413 2.832 20 0 HFADLO C[C@H](CNC(=O)c1cnc(OC2CCOCC2)c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472629 1079399183 /nfs/dbraw/zinc/39/91/83/1079399183.db2.gz XMLNPDCRIGHHPB-KFWWJZLASA-N 1 2 411.930 2.520 20 0 HFADLO C[C@H](CNC(=O)c1cnc(OC2CCOCC2)c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472629 1079399188 /nfs/dbraw/zinc/39/91/88/1079399188.db2.gz XMLNPDCRIGHHPB-KFWWJZLASA-N 1 2 411.930 2.520 20 0 HFADLO Cc1ccc(O[C@H](C)C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000806163014 1079472596 /nfs/dbraw/zinc/47/25/96/1079472596.db2.gz AEWIJQRDSZSGIV-QGZVFWFLSA-N 1 2 402.516 2.711 20 0 HFADLO Cn1cc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000787388455 1076805056 /nfs/dbraw/zinc/80/50/56/1076805056.db2.gz BTKFMPCBVPNKPL-ZZXKWVIFSA-N 1 2 404.312 2.586 20 0 HFADLO CC[NH+](CC)[C@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccsc1 ZINC000746686293 1076821311 /nfs/dbraw/zinc/82/13/11/1076821311.db2.gz GSUIZDOTBPYVNV-QGZVFWFLSA-N 1 2 416.572 2.946 20 0 HFADLO COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000787593197 1076863129 /nfs/dbraw/zinc/86/31/29/1076863129.db2.gz SQURQVHWVQJTPS-UHFFFAOYSA-N 1 2 413.455 2.830 20 0 HFADLO C[NH+](C)[C@@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccc(Cl)cc1 ZINC000746697330 1076864470 /nfs/dbraw/zinc/86/44/70/1076864470.db2.gz SEGUVLODKQZMQC-KRWDZBQOSA-N 1 2 416.934 2.758 20 0 HFADLO Cc1[nH]c(=O)ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787669832 1076905475 /nfs/dbraw/zinc/90/54/75/1076905475.db2.gz JRQYBZTZUPJKCE-UHFFFAOYSA-N 1 2 405.296 2.862 20 0 HFADLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787704155 1076918888 /nfs/dbraw/zinc/91/88/88/1076918888.db2.gz FACJAVYFOISYNO-OXQOHEQNSA-N 1 2 411.930 2.971 20 0 HFADLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787704155 1076918890 /nfs/dbraw/zinc/91/88/90/1076918890.db2.gz FACJAVYFOISYNO-OXQOHEQNSA-N 1 2 411.930 2.971 20 0 HFADLO C[N@H+](Cc1nc2ccsc2c(=O)[nH]1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787729392 1076932922 /nfs/dbraw/zinc/93/29/22/1076932922.db2.gz IYXBZDZVDXTHOZ-YJYMSZOUSA-N 1 2 408.524 2.589 20 0 HFADLO C[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000787729392 1076932925 /nfs/dbraw/zinc/93/29/25/1076932925.db2.gz IYXBZDZVDXTHOZ-YJYMSZOUSA-N 1 2 408.524 2.589 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)c1C ZINC000787852953 1076964830 /nfs/dbraw/zinc/96/48/30/1076964830.db2.gz CDJUZPXTDVOVAU-CYBMUJFWSA-N 1 2 407.417 2.802 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCCC3(C)C)cc2Br)CC1 ZINC000787881927 1076975898 /nfs/dbraw/zinc/97/58/98/1076975898.db2.gz KXZSHRWCKLCAHC-UHFFFAOYSA-N 1 2 423.355 2.540 20 0 HFADLO CC[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1OC(F)F ZINC000787868563 1076987436 /nfs/dbraw/zinc/98/74/36/1076987436.db2.gz JAQWUBKRZOMLIF-HOCLYGCPSA-N 1 2 420.460 2.995 20 0 HFADLO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788003959 1077026440 /nfs/dbraw/zinc/02/64/40/1077026440.db2.gz HOSHOHRTXGAOAJ-KRWDZBQOSA-N 1 2 405.539 2.982 20 0 HFADLO Cc1sc(NC(=O)C[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c(C)c1C ZINC000788005501 1077026548 /nfs/dbraw/zinc/02/65/48/1077026548.db2.gz ZQBYVSVKBMQETO-UHFFFAOYSA-N 1 2 411.568 2.963 20 0 HFADLO CNc1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cs1 ZINC000788016165 1077029554 /nfs/dbraw/zinc/02/95/54/1077029554.db2.gz HBZUWDGDFPKEHS-UHFFFAOYSA-N 1 2 410.341 2.951 20 0 HFADLO COc1ccc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1N1CCOC1=O ZINC000746727452 1077048600 /nfs/dbraw/zinc/04/86/00/1077048600.db2.gz CDXGDRMHKDZDLT-UHFFFAOYSA-N 1 2 409.446 2.972 20 0 HFADLO O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788240011 1077084391 /nfs/dbraw/zinc/08/43/91/1077084391.db2.gz DKDAPQOSOJISPU-INIZCTEOSA-N 1 2 424.501 2.590 20 0 HFADLO O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788240011 1077084397 /nfs/dbraw/zinc/08/43/97/1077084397.db2.gz DKDAPQOSOJISPU-INIZCTEOSA-N 1 2 424.501 2.590 20 0 HFADLO COc1cccc(C(=O)NCC(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000788239504 1077084710 /nfs/dbraw/zinc/08/47/10/1077084710.db2.gz ACQHZZCAMSGKPQ-QGZVFWFLSA-N 1 2 410.518 2.870 20 0 HFADLO COc1cccc(C(=O)NCC(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000788239504 1077084716 /nfs/dbraw/zinc/08/47/16/1077084716.db2.gz ACQHZZCAMSGKPQ-QGZVFWFLSA-N 1 2 410.518 2.870 20 0 HFADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NCCSC(C)(C)C)CC2)c1 ZINC000788347167 1077113225 /nfs/dbraw/zinc/11/32/25/1077113225.db2.gz DCEUICXPMTZQHU-MRXNPFEDSA-N 1 2 407.580 2.548 20 0 HFADLO Cn1cc(-c2ccc(=O)n(C[N@H+](CCCOc3ccccc3)C3CCOCC3)n2)cn1 ZINC000788370154 1077130133 /nfs/dbraw/zinc/13/01/33/1077130133.db2.gz KXLWUHNQKDZGNQ-UHFFFAOYSA-N 1 2 423.517 2.551 20 0 HFADLO Cn1cc(-c2ccc(=O)n(C[N@@H+](CCCOc3ccccc3)C3CCOCC3)n2)cn1 ZINC000788370154 1077130137 /nfs/dbraw/zinc/13/01/37/1077130137.db2.gz KXLWUHNQKDZGNQ-UHFFFAOYSA-N 1 2 423.517 2.551 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000788438537 1077146999 /nfs/dbraw/zinc/14/69/99/1077146999.db2.gz VFZLHCTUPNERPP-CGTJXYLNSA-N 1 2 406.527 2.648 20 0 HFADLO CC[C@H]1CN(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C[C@@H](C)S1(=O)=O ZINC001170085018 1077169559 /nfs/dbraw/zinc/16/95/59/1077169559.db2.gz FCKFRLZIIQFUGP-XLIONFOSSA-N 1 2 414.015 2.750 20 0 HFADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788471271 1077170299 /nfs/dbraw/zinc/17/02/99/1077170299.db2.gz LDGQBNHJPUBPGI-UWJYYQICSA-N 1 2 422.533 2.985 20 0 HFADLO O=C(C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1)N[C@@H](c1nccs1)c1ccccc1 ZINC000788474143 1077171400 /nfs/dbraw/zinc/17/14/00/1077171400.db2.gz MCWYOROFMWYGRZ-MOPGFXCFSA-N 1 2 411.531 2.517 20 0 HFADLO Cc1nc(NCc2ccc([C@@H](C)O)c(C)n2)nc(NCc2ccc([C@H](C)O)c(C)n2)[nH+]1 ZINC000788548278 1077196627 /nfs/dbraw/zinc/19/66/27/1077196627.db2.gz XZFCCPWNZVOAKZ-GASCZTMLSA-N 1 2 423.521 2.918 20 0 HFADLO Cc1nc(NCc2ccc([C@H](C)O)c(C)n2)nc(NCc2ccc([C@@H](C)O)c(C)n2)[nH+]1 ZINC000788548278 1077196632 /nfs/dbraw/zinc/19/66/32/1077196632.db2.gz XZFCCPWNZVOAKZ-GASCZTMLSA-N 1 2 423.521 2.918 20 0 HFADLO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H](CO)c2c(F)cccc2F)CCN1C(=O)OC(C)(C)C ZINC000788647507 1077224592 /nfs/dbraw/zinc/22/45/92/1077224592.db2.gz VHWUCPBPEYZGJF-VYDXJSESSA-N 1 2 414.449 2.529 20 0 HFADLO CCOC(=O)[C@@H]1[C@@H]([NH2+][C@H](CO)c2c(F)cccc2F)CCN1C(=O)OC(C)(C)C ZINC000788647505 1077224736 /nfs/dbraw/zinc/22/47/36/1077224736.db2.gz VHWUCPBPEYZGJF-UXLLHSPISA-N 1 2 414.449 2.529 20 0 HFADLO CC[C@H](Cn1cncn1)Nc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC000788707539 1077266333 /nfs/dbraw/zinc/26/63/33/1077266333.db2.gz ZFIRMGNONCNSRY-MRXNPFEDSA-N 1 2 401.515 2.621 20 0 HFADLO Cc1cccn2cc(CCNC(=O)NC[C@H]3CCCN3C(=O)OC(C)(C)C)[nH+]c12 ZINC000746759068 1077270242 /nfs/dbraw/zinc/27/02/42/1077270242.db2.gz DCUJKWCFEODZPZ-QGZVFWFLSA-N 1 2 401.511 2.884 20 0 HFADLO CN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788755068 1077277574 /nfs/dbraw/zinc/27/75/74/1077277574.db2.gz ZIORFIIVVHCVJX-NRFANRHFSA-N 1 2 421.476 2.954 20 0 HFADLO C[C@@H]1C[N@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000788769193 1077282720 /nfs/dbraw/zinc/28/27/20/1077282720.db2.gz ICQCCDLHPPWVEV-BHIYHBOVSA-N 1 2 415.534 2.797 20 0 HFADLO C[C@@H]1C[N@@H+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000788769193 1077282725 /nfs/dbraw/zinc/28/27/25/1077282725.db2.gz ICQCCDLHPPWVEV-BHIYHBOVSA-N 1 2 415.534 2.797 20 0 HFADLO CN(C[C@H]1CCC[N@@H+]1CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000788771003 1077284007 /nfs/dbraw/zinc/28/40/07/1077284007.db2.gz OXQYIURXNUKJBZ-RTBURBONSA-N 1 2 415.534 2.893 20 0 HFADLO CN(C[C@H]1CCC[N@H+]1CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000788771003 1077284015 /nfs/dbraw/zinc/28/40/15/1077284015.db2.gz OXQYIURXNUKJBZ-RTBURBONSA-N 1 2 415.534 2.893 20 0 HFADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788811845 1077295239 /nfs/dbraw/zinc/29/52/39/1077295239.db2.gz FHHOENLYBMLVRS-SFHVURJKSA-N 1 2 415.534 2.596 20 0 HFADLO O=C(c1cccc2[nH+]ccn21)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000791115128 1077301881 /nfs/dbraw/zinc/30/18/81/1077301881.db2.gz WFMATSHYONELJP-INIZCTEOSA-N 1 2 404.348 2.546 20 0 HFADLO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788840518 1077316665 /nfs/dbraw/zinc/31/66/65/1077316665.db2.gz HPBBFUODWUTPOL-GOSISDBHSA-N 1 2 420.554 2.855 20 0 HFADLO CC(C)(CNC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)[NH+]1CCOCC1 ZINC000788848084 1077318649 /nfs/dbraw/zinc/31/86/49/1077318649.db2.gz DIUIAPNYOIZOCT-UHFFFAOYSA-N 1 2 410.946 2.646 20 0 HFADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000791269857 1077354286 /nfs/dbraw/zinc/35/42/86/1077354286.db2.gz CNLZZJYAFVTKSS-XJKCOSOUSA-N 1 2 412.456 2.888 20 0 HFADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000791269857 1077354288 /nfs/dbraw/zinc/35/42/88/1077354288.db2.gz CNLZZJYAFVTKSS-XJKCOSOUSA-N 1 2 412.456 2.888 20 0 HFADLO CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000791292303 1077358140 /nfs/dbraw/zinc/35/81/40/1077358140.db2.gz SKTSSDLSGYVMHV-UHFFFAOYSA-N 1 2 403.435 2.585 20 0 HFADLO CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)cc2CC1 ZINC000788969996 1077366695 /nfs/dbraw/zinc/36/66/95/1077366695.db2.gz QPAQEMSWVRUZQH-IBGZPJMESA-N 1 2 410.518 2.964 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000791320484 1077372827 /nfs/dbraw/zinc/37/28/27/1077372827.db2.gz OXTPHAVCZSSCCA-AWEZNQCLSA-N 1 2 405.501 2.652 20 0 HFADLO CC(=O)Nc1ccc(CNC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cn1 ZINC000789041158 1077392104 /nfs/dbraw/zinc/39/21/04/1077392104.db2.gz YIOUNTVJRQEXRT-UHFFFAOYSA-N 1 2 410.522 2.574 20 0 HFADLO C[C@@H](CN1CCOCC1)[N@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccccc1 ZINC000791458732 1077433259 /nfs/dbraw/zinc/43/32/59/1077433259.db2.gz LXASAORJKYFFEK-NRFANRHFSA-N 1 2 416.587 2.824 20 0 HFADLO C[C@@H](CN1CCOCC1)[N@@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccccc1 ZINC000791458732 1077433263 /nfs/dbraw/zinc/43/32/63/1077433263.db2.gz LXASAORJKYFFEK-NRFANRHFSA-N 1 2 416.587 2.824 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C2)c1 ZINC000791568979 1077464378 /nfs/dbraw/zinc/46/43/78/1077464378.db2.gz QWOQNPLEAHDRBI-QFIPXVFZSA-N 1 2 420.469 2.758 20 0 HFADLO CCC1=C(C(=O)OCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCCO1 ZINC000791546686 1077472698 /nfs/dbraw/zinc/47/26/98/1077472698.db2.gz PJSSQDZGUSQFJT-UHFFFAOYSA-N 1 2 416.522 2.575 20 0 HFADLO CC[C@H](C)n1ncc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000791673454 1077523896 /nfs/dbraw/zinc/52/38/96/1077523896.db2.gz SMAMFAHTEKXXKS-INIZCTEOSA-N 1 2 414.506 2.790 20 0 HFADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789391634 1077535048 /nfs/dbraw/zinc/53/50/48/1077535048.db2.gz FERRKYFGOPIVDV-CVEARBPZSA-N 1 2 424.538 2.593 20 0 HFADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789391634 1077535055 /nfs/dbraw/zinc/53/50/55/1077535055.db2.gz FERRKYFGOPIVDV-CVEARBPZSA-N 1 2 424.538 2.593 20 0 HFADLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789373889 1077544142 /nfs/dbraw/zinc/54/41/42/1077544142.db2.gz HPYMYEHZZODTIB-APWZRJJASA-N 1 2 407.580 2.811 20 0 HFADLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789373889 1077544145 /nfs/dbraw/zinc/54/41/45/1077544145.db2.gz HPYMYEHZZODTIB-APWZRJJASA-N 1 2 407.580 2.811 20 0 HFADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(-c3ccccc3)cc2C)CC1 ZINC000746809879 1077551067 /nfs/dbraw/zinc/55/10/67/1077551067.db2.gz GGTHYJDDQCXWSK-SFHVURJKSA-N 1 2 423.513 2.696 20 0 HFADLO Cc1noc(C)c1C[NH+]1CCN(CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)CC1 ZINC000789426220 1077556542 /nfs/dbraw/zinc/55/65/42/1077556542.db2.gz SUCCJSQNCUAHGI-JOCHJYFZSA-N 1 2 417.554 2.503 20 0 HFADLO CC(C)(C)OC(=O)N[C@H]1CC(=O)N(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000789443732 1077575606 /nfs/dbraw/zinc/57/56/06/1077575606.db2.gz QZXKUPHPWGPVIY-HNNXBMFYSA-N 1 2 424.492 2.560 20 0 HFADLO CC(C)(C)OC(=O)N[C@H]1CC(=O)N(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000789443732 1077575610 /nfs/dbraw/zinc/57/56/10/1077575610.db2.gz QZXKUPHPWGPVIY-HNNXBMFYSA-N 1 2 424.492 2.560 20 0 HFADLO CCCOC(=O)c1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000746814453 1077575807 /nfs/dbraw/zinc/57/58/07/1077575807.db2.gz UMQOGSUROBVLSV-UHFFFAOYSA-N 1 2 408.458 2.507 20 0 HFADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)Nc3ccc(Cl)nc3C)CC2)c1 ZINC000789463076 1077583737 /nfs/dbraw/zinc/58/37/37/1077583737.db2.gz IMNWKZISCAMZMY-HNNXBMFYSA-N 1 2 416.909 2.896 20 0 HFADLO CC(C)(C)OC(=O)N1CCN2C(=O)N(C[NH+]3CCC(CC(F)(F)F)CC3)C[C@H]2C1 ZINC000789527384 1077624000 /nfs/dbraw/zinc/62/40/00/1077624000.db2.gz JJXXDHTYMLKADM-OAHLLOKOSA-N 1 2 420.476 2.965 20 0 HFADLO Nc1cc(COC(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)cc[nH+]1 ZINC000791954475 1077628556 /nfs/dbraw/zinc/62/85/56/1077628556.db2.gz MCSTVFWWMBTNAX-INIZCTEOSA-N 1 2 400.504 2.659 20 0 HFADLO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000789560384 1077680647 /nfs/dbraw/zinc/68/06/47/1077680647.db2.gz JUXWMNXLUJXKBF-LBPRGKRZSA-N 1 2 415.803 2.573 20 0 HFADLO Cn1cc([C@@H]2CN(C(=O)c3cc(Br)cc(N4CCCC4)c3)CC[NH2+]2)cn1 ZINC001170112999 1077687081 /nfs/dbraw/zinc/68/70/81/1077687081.db2.gz UKOOIZPRNFOYSW-SFHVURJKSA-N 1 2 418.339 2.570 20 0 HFADLO Cc1csc([C@@](O)(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C(F)(F)F)n1 ZINC000746834368 1077700549 /nfs/dbraw/zinc/70/05/49/1077700549.db2.gz LMJBZZIEPUGUSE-AWEZNQCLSA-N 1 2 406.455 2.675 20 0 HFADLO Cc1csc([C@@](O)(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C(F)(F)F)n1 ZINC000746834368 1077700555 /nfs/dbraw/zinc/70/05/55/1077700555.db2.gz LMJBZZIEPUGUSE-AWEZNQCLSA-N 1 2 406.455 2.675 20 0 HFADLO Cn1cc([C@@H]2CN(C(=O)[C@H](Oc3ccc(F)c(F)c3)c3ccccc3)CC[NH2+]2)cn1 ZINC001170112192 1077702548 /nfs/dbraw/zinc/70/25/48/1077702548.db2.gz MBDDYRJWEYJIEY-LEWJYISDSA-N 1 2 412.440 2.992 20 0 HFADLO Cn1cc([C@@H]2CN(C(=O)[C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)CC[NH2+]2)cn1 ZINC001170112195 1077702853 /nfs/dbraw/zinc/70/28/53/1077702853.db2.gz MBDDYRJWEYJIEY-SFTDATJTSA-N 1 2 412.440 2.992 20 0 HFADLO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000792152914 1077724212 /nfs/dbraw/zinc/72/42/12/1077724212.db2.gz MPBJSTGWNGVRLO-CSMYWGQOSA-N 1 2 412.481 2.922 20 0 HFADLO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000792152914 1077724215 /nfs/dbraw/zinc/72/42/15/1077724215.db2.gz MPBJSTGWNGVRLO-CSMYWGQOSA-N 1 2 412.481 2.922 20 0 HFADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000746848425 1077736978 /nfs/dbraw/zinc/73/69/78/1077736978.db2.gz PEQDPZFZXQZPFC-QGZVFWFLSA-N 1 2 405.539 2.842 20 0 HFADLO C[C@@H](CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)NC(=O)OC(C)(C)C ZINC000792190350 1077739320 /nfs/dbraw/zinc/73/93/20/1077739320.db2.gz ZWIRPQCVNKFRBY-AWEZNQCLSA-N 1 2 410.946 2.911 20 0 HFADLO C[C@@H](CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)NC(=O)OC(C)(C)C ZINC000792190350 1077739326 /nfs/dbraw/zinc/73/93/26/1077739326.db2.gz ZWIRPQCVNKFRBY-AWEZNQCLSA-N 1 2 410.946 2.911 20 0 HFADLO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1N)c1nnnn1C1CC1 ZINC000792195863 1077740795 /nfs/dbraw/zinc/74/07/95/1077740795.db2.gz GELVOGKVGSZNAC-ZETCQYMHSA-N 1 2 416.121 2.966 20 0 HFADLO CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000792229492 1077753699 /nfs/dbraw/zinc/75/36/99/1077753699.db2.gz METRGGOAJCHLSS-FXAWDEMLSA-N 1 2 400.519 2.646 20 0 HFADLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792232554 1077755647 /nfs/dbraw/zinc/75/56/47/1077755647.db2.gz YZAMSMLWSRSCRK-MJGOQNOKSA-N 1 2 400.519 2.646 20 0 HFADLO O=C(COC(=O)c1csc(C(F)(F)F)n1)N1CC[NH+](Cc2cccs2)CC1 ZINC000792333854 1077822776 /nfs/dbraw/zinc/82/27/76/1077822776.db2.gz OEZORQUDTPGIDR-UHFFFAOYSA-N 1 2 419.450 2.725 20 0 HFADLO COc1cc(CC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc(OC)c1O ZINC000789961454 1077871182 /nfs/dbraw/zinc/87/11/82/1077871182.db2.gz UVMQDDGVHFLQGA-UHFFFAOYSA-N 1 2 413.518 2.803 20 0 HFADLO CC[C@@H](C)n1ncc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1C ZINC000792480341 1077876295 /nfs/dbraw/zinc/87/62/95/1077876295.db2.gz AHWPTSSZKIXAJG-ZBFHGGJFSA-N 1 2 408.547 2.835 20 0 HFADLO CC[C@@H](C)n1ncc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1C ZINC000792480341 1077876301 /nfs/dbraw/zinc/87/63/01/1077876301.db2.gz AHWPTSSZKIXAJG-ZBFHGGJFSA-N 1 2 408.547 2.835 20 0 HFADLO NC(=O)c1ccc(CC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000792583355 1077917096 /nfs/dbraw/zinc/91/70/96/1077917096.db2.gz HPQSAONYHMAOAA-UHFFFAOYSA-N 1 2 421.419 2.571 20 0 HFADLO CCS(=O)(=O)c1ccc(CNc2ccc(C[NH+]3CCOCC3)cc2OC)cc1 ZINC001170331208 1077945246 /nfs/dbraw/zinc/94/52/46/1077945246.db2.gz RDBZJRQTDMQJID-UHFFFAOYSA-N 1 2 404.532 2.933 20 0 HFADLO O=C(COC(=O)[C@H]1CCC(=O)c2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000792661144 1077962232 /nfs/dbraw/zinc/96/22/32/1077962232.db2.gz YUGXGULZBKNILO-IBGZPJMESA-N 1 2 412.511 2.696 20 0 HFADLO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(=O)OC ZINC001170413751 1077967300 /nfs/dbraw/zinc/96/73/00/1077967300.db2.gz WPKWAYZUVMLAMZ-CVEARBPZSA-N 1 2 408.495 2.782 20 0 HFADLO Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000790253799 1077977605 /nfs/dbraw/zinc/97/76/05/1077977605.db2.gz OVAUWFKONSDVLZ-OAQYLSRUSA-N 1 2 403.486 2.781 20 0 HFADLO O=c1oc2cc(F)c(Br)cc2n1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000792705808 1077979123 /nfs/dbraw/zinc/97/91/23/1077979123.db2.gz KJKZEBRGNUMTJY-UHFFFAOYSA-N 1 2 421.270 2.666 20 0 HFADLO CN(C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(F)cc2)C1)C(=O)OC(C)(C)C ZINC000790280016 1077983618 /nfs/dbraw/zinc/98/36/18/1077983618.db2.gz HFAZNDAHLBSBLL-OAHLLOKOSA-N 1 2 400.516 2.788 20 0 HFADLO CN(C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)C1)C(=O)OC(C)(C)C ZINC000790280016 1077983621 /nfs/dbraw/zinc/98/36/21/1077983621.db2.gz HFAZNDAHLBSBLL-OAHLLOKOSA-N 1 2 400.516 2.788 20 0 HFADLO O=C(COC(=O)c1cc(Cc2ccccc2)[nH]n1)N1CC[NH+](Cc2cccs2)CC1 ZINC000792791123 1077992406 /nfs/dbraw/zinc/99/24/06/1077992406.db2.gz CNNRXMNMDYNQEH-UHFFFAOYSA-N 1 2 424.526 2.563 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790318681 1077996073 /nfs/dbraw/zinc/99/60/73/1077996073.db2.gz NZWABAKZDBMWFL-NMNUPHIUSA-N 1 2 414.594 2.702 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1[C@@H]1CCN(C2CCOCC2)C1=O ZINC000790318681 1077996076 /nfs/dbraw/zinc/99/60/76/1077996076.db2.gz NZWABAKZDBMWFL-NMNUPHIUSA-N 1 2 414.594 2.702 20 0 HFADLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000792828926 1078006923 /nfs/dbraw/zinc/00/69/23/1078006923.db2.gz LEKDAXZHOXOMQA-HSZRJFAPSA-N 1 2 413.303 2.964 20 0 HFADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000792864227 1078010932 /nfs/dbraw/zinc/01/09/32/1078010932.db2.gz ZGTQQSHCIKXQMV-MOPGFXCFSA-N 1 2 417.550 2.649 20 0 HFADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000792864227 1078010935 /nfs/dbraw/zinc/01/09/35/1078010935.db2.gz ZGTQQSHCIKXQMV-MOPGFXCFSA-N 1 2 417.550 2.649 20 0 HFADLO CN(c1ccc(OC(=O)CCc2c[nH]c[nH+]2)cc1)S(=O)(=O)c1ccccc1F ZINC000792868827 1078011983 /nfs/dbraw/zinc/01/19/83/1078011983.db2.gz YKCZVNGQVLMKNH-UHFFFAOYSA-N 1 2 403.435 2.912 20 0 HFADLO CN(c1ccc(OC(=O)CCc2c[nH+]c[nH]2)cc1)S(=O)(=O)c1ccccc1F ZINC000792868827 1078011988 /nfs/dbraw/zinc/01/19/88/1078011988.db2.gz YKCZVNGQVLMKNH-UHFFFAOYSA-N 1 2 403.435 2.912 20 0 HFADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792909214 1078021268 /nfs/dbraw/zinc/02/12/68/1078021268.db2.gz SXMVOCNIKVURBF-QAPCUYQASA-N 1 2 414.333 2.574 20 0 HFADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792909214 1078021273 /nfs/dbraw/zinc/02/12/73/1078021273.db2.gz SXMVOCNIKVURBF-QAPCUYQASA-N 1 2 414.333 2.574 20 0 HFADLO O=C(CCc1c[nH]c[nH+]1)NCCN1C(=O)SC(=Cc2ccc(Cl)cc2)C1=O ZINC000792935477 1078028855 /nfs/dbraw/zinc/02/88/55/1078028855.db2.gz AWOGDJZSKAEECA-OQLLNIDSSA-N 1 2 404.879 2.848 20 0 HFADLO O=C(CCc1c[nH+]c[nH]1)NCCN1C(=O)SC(=Cc2ccc(Cl)cc2)C1=O ZINC000792935477 1078028861 /nfs/dbraw/zinc/02/88/61/1078028861.db2.gz AWOGDJZSKAEECA-OQLLNIDSSA-N 1 2 404.879 2.848 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)C2 ZINC000790440037 1078031526 /nfs/dbraw/zinc/03/15/26/1078031526.db2.gz UHOHBODKKXUJAY-UHFFFAOYSA-N 1 2 423.469 2.688 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@@H+]1CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC000790442319 1078033161 /nfs/dbraw/zinc/03/31/61/1078033161.db2.gz VXSXAPVUXXLHDS-JOCHJYFZSA-N 1 2 401.507 2.941 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@H+]1CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC000790442319 1078033166 /nfs/dbraw/zinc/03/31/66/1078033166.db2.gz VXSXAPVUXXLHDS-JOCHJYFZSA-N 1 2 401.507 2.941 20 0 HFADLO Cc1c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cnn1C ZINC000790453743 1078036212 /nfs/dbraw/zinc/03/62/12/1078036212.db2.gz SYRRPVBQMPXRGI-MRXNPFEDSA-N 1 2 409.490 2.711 20 0 HFADLO Cc1c(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cnn1C ZINC000790453743 1078036217 /nfs/dbraw/zinc/03/62/17/1078036217.db2.gz SYRRPVBQMPXRGI-MRXNPFEDSA-N 1 2 409.490 2.711 20 0 HFADLO C[N@@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1Cc1ccccc1 ZINC000790459960 1078038281 /nfs/dbraw/zinc/03/82/81/1078038281.db2.gz LJSNRYBDGCMGPT-AWEZNQCLSA-N 1 2 400.331 2.936 20 0 HFADLO C[N@H+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@@H]1Cc1ccccc1 ZINC000790459960 1078038286 /nfs/dbraw/zinc/03/82/86/1078038286.db2.gz LJSNRYBDGCMGPT-AWEZNQCLSA-N 1 2 400.331 2.936 20 0 HFADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1ccc(Cl)cc1Cl ZINC000747311076 1079506907 /nfs/dbraw/zinc/50/69/07/1079506907.db2.gz OGFWVHQOBAKKPJ-KRWDZBQOSA-N 1 2 415.317 2.750 20 0 HFADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ccc(Cl)cc1Cl ZINC000747311078 1079507269 /nfs/dbraw/zinc/50/72/69/1079507269.db2.gz OGFWVHQOBAKKPJ-QGZVFWFLSA-N 1 2 415.317 2.750 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000806246160 1079520914 /nfs/dbraw/zinc/52/09/14/1079520914.db2.gz SEDBUZPXBZPLKQ-XKGFGPFHSA-N 1 2 402.539 2.627 20 0 HFADLO CC(C)OC(=O)NCc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000806275580 1079538829 /nfs/dbraw/zinc/53/88/29/1079538829.db2.gz LXXZAHGBTLVEMW-LPHOPBHVSA-N 1 2 404.511 2.648 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCCc3ccc(F)cc3)CC2)C1 ZINC000806286076 1079548047 /nfs/dbraw/zinc/54/80/47/1079548047.db2.gz ONWLMTSLLZJPGL-LJQANCHMSA-N 1 2 420.529 2.705 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3cnn(C(C)(C)C)c3)C2)CC1 ZINC000806311261 1079564022 /nfs/dbraw/zinc/56/40/22/1079564022.db2.gz BJNLFYAGWZWANU-QGZVFWFLSA-N 1 2 420.558 2.797 20 0 HFADLO C[C@@H](CCc1ccco1)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806317647 1079571888 /nfs/dbraw/zinc/57/18/88/1079571888.db2.gz LQUCHAWZLXKBKC-ROUUACIJSA-N 1 2 420.554 2.937 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCc3ccccc3F)CC2)C1 ZINC000806291769 1079578586 /nfs/dbraw/zinc/57/85/86/1079578586.db2.gz VYRUGBRODBLTRJ-QGZVFWFLSA-N 1 2 406.502 2.662 20 0 HFADLO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[N@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806297875 1079585852 /nfs/dbraw/zinc/58/58/52/1079585852.db2.gz BBADRRQIIRRWOI-WIYYLYMNSA-N 1 2 423.561 2.691 20 0 HFADLO CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806297875 1079585861 /nfs/dbraw/zinc/58/58/61/1079585861.db2.gz BBADRRQIIRRWOI-WIYYLYMNSA-N 1 2 423.561 2.691 20 0 HFADLO CSc1cc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)ccn1 ZINC000806380877 1079629996 /nfs/dbraw/zinc/62/99/96/1079629996.db2.gz JEFWTGOVHUHKDX-INIZCTEOSA-N 1 2 421.567 2.962 20 0 HFADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000806359220 1079646167 /nfs/dbraw/zinc/64/61/67/1079646167.db2.gz WGFKWTVJHHIPEL-UHFFFAOYSA-N 1 2 402.882 2.615 20 0 HFADLO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)Nc2ccc(C)[nH+]c2N(C)C)s1 ZINC000806360735 1079648454 /nfs/dbraw/zinc/64/84/54/1079648454.db2.gz JPACSSMHQPNLBU-NEPJUHHUSA-N 1 2 405.528 2.655 20 0 HFADLO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)Nc2ccc(C)[nH+]c2N(C)C)s1 ZINC000806360742 1079648461 /nfs/dbraw/zinc/64/84/61/1079648461.db2.gz JPACSSMHQPNLBU-RYUDHWBXSA-N 1 2 405.528 2.655 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000806427505 1079674026 /nfs/dbraw/zinc/67/40/26/1079674026.db2.gz JKPJOQOYQWYPSV-GOSISDBHSA-N 1 2 403.527 2.751 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCc3ccc(Cl)nc3)CC2)C1 ZINC000806460608 1079734546 /nfs/dbraw/zinc/73/45/46/1079734546.db2.gz KZMBKRYLQVLSTJ-MRXNPFEDSA-N 1 2 423.945 2.572 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=S)NCCc3ccccc3)CC2)C1 ZINC000806608391 1079849319 /nfs/dbraw/zinc/84/93/19/1079849319.db2.gz FISGPRAYDZMNIZ-IBGZPJMESA-N 1 2 418.607 2.731 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=S)NCc3ccccc3)CC2)C1 ZINC000806609120 1079852397 /nfs/dbraw/zinc/85/23/97/1079852397.db2.gz NYLRSNYJHMTASH-SFHVURJKSA-N 1 2 404.580 2.688 20 0 HFADLO Cc1cc2c(cc1C)N(C(=O)NCCC(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000806646097 1079902143 /nfs/dbraw/zinc/90/21/43/1079902143.db2.gz QNSDBVUSLIVCKE-UHFFFAOYSA-N 1 2 407.518 2.509 20 0 HFADLO Cc1cccc(CCNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000806648098 1079903391 /nfs/dbraw/zinc/90/33/91/1079903391.db2.gz PQLYMPRDUCSHER-FQEVSTJZSA-N 1 2 416.566 2.874 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCCC(C)(C)C3)CC2)cc1 ZINC000806756919 1079975872 /nfs/dbraw/zinc/97/58/72/1079975872.db2.gz ASVGLQWUSRXTQQ-SFHVURJKSA-N 1 2 400.567 2.923 20 0 HFADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(-c3ccccc3)c2)CC1 ZINC000806761967 1079981524 /nfs/dbraw/zinc/98/15/24/1079981524.db2.gz QBFKITVQSSVVDE-UHFFFAOYSA-N 1 2 401.532 2.984 20 0 HFADLO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccc(O)c1 ZINC000806792951 1080013473 /nfs/dbraw/zinc/01/34/73/1080013473.db2.gz HGYVESDSCRYIOS-FUHWJXTLSA-N 1 2 418.538 2.790 20 0 HFADLO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000747359812 1080031081 /nfs/dbraw/zinc/03/10/81/1080031081.db2.gz KVYRHOFNMPCODR-LJQANCHMSA-N 1 2 411.550 2.723 20 0 HFADLO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000747359812 1080031092 /nfs/dbraw/zinc/03/10/92/1080031092.db2.gz KVYRHOFNMPCODR-LJQANCHMSA-N 1 2 411.550 2.723 20 0 HFADLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000806835447 1080048502 /nfs/dbraw/zinc/04/85/02/1080048502.db2.gz KNRFYZXJSMDZQV-WBMJQRKESA-N 1 2 419.394 2.599 20 0 HFADLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000806835447 1080048507 /nfs/dbraw/zinc/04/85/07/1080048507.db2.gz KNRFYZXJSMDZQV-WBMJQRKESA-N 1 2 419.394 2.599 20 0 HFADLO C[C@@H](CNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccncc1 ZINC000806919860 1080088472 /nfs/dbraw/zinc/08/84/72/1080088472.db2.gz FGZNQNUPXKGSLJ-PKOBYXMFSA-N 1 2 417.554 2.522 20 0 HFADLO C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccncc1 ZINC000806919858 1080088498 /nfs/dbraw/zinc/08/84/98/1080088498.db2.gz FGZNQNUPXKGSLJ-MJGOQNOKSA-N 1 2 417.554 2.522 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3cccc(C(C)(C)O)c3)CC2)cc1 ZINC000806920489 1080088950 /nfs/dbraw/zinc/08/89/50/1080088950.db2.gz VWEBJCCZURNZRR-UHFFFAOYSA-N 1 2 424.545 2.704 20 0 HFADLO COC1CCC(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000806923187 1080092075 /nfs/dbraw/zinc/09/20/75/1080092075.db2.gz DGTFKAQIVWSHGP-XBMUEBEBSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000806964153 1080132480 /nfs/dbraw/zinc/13/24/80/1080132480.db2.gz WOLPCFWYGOCTLY-MSOLQXFVSA-N 1 2 400.567 2.923 20 0 HFADLO C[C@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000806964156 1080132631 /nfs/dbraw/zinc/13/26/31/1080132631.db2.gz WOLPCFWYGOCTLY-ZWKOTPCHSA-N 1 2 400.567 2.923 20 0 HFADLO COc1ccc2cc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)ccc2c1 ZINC000806942169 1080151639 /nfs/dbraw/zinc/15/16/39/1080151639.db2.gz OIKHDFPGRKWEJX-SFTDATJTSA-N 1 2 411.502 2.547 20 0 HFADLO C[C@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(OC(F)(F)F)c1 ZINC000806991553 1080170229 /nfs/dbraw/zinc/17/02/29/1080170229.db2.gz KDWWTJNJBNDEIG-LBPRGKRZSA-N 1 2 406.364 2.727 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)N[C@@H]3CCCC(F)(F)C3)CC2)C1 ZINC000806992466 1080170801 /nfs/dbraw/zinc/17/08/01/1080170801.db2.gz GRXSARKNWQNUGC-HZPDHXFCSA-N 1 2 416.513 2.901 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)N[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000806980831 1080189679 /nfs/dbraw/zinc/18/96/79/1080189679.db2.gz WDMXVJJROGIOQK-HUUCEWRRSA-N 1 2 402.486 2.511 20 0 HFADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807045939 1080202646 /nfs/dbraw/zinc/20/26/46/1080202646.db2.gz KJBVINVADHSDPQ-KFKAGJAMSA-N 1 2 424.492 2.972 20 0 HFADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807045939 1080202652 /nfs/dbraw/zinc/20/26/52/1080202652.db2.gz KJBVINVADHSDPQ-KFKAGJAMSA-N 1 2 424.492 2.972 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807045911 1080202729 /nfs/dbraw/zinc/20/27/29/1080202729.db2.gz JGOFBXVEBCLASE-WBAXXEDZSA-N 1 2 410.465 2.630 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807045911 1080202739 /nfs/dbraw/zinc/20/27/39/1080202739.db2.gz JGOFBXVEBCLASE-WBAXXEDZSA-N 1 2 410.465 2.630 20 0 HFADLO CSCC[C@H](C)NC(=O)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000807050214 1080234500 /nfs/dbraw/zinc/23/45/00/1080234500.db2.gz JFABKDSZFRCQPU-HNNXBMFYSA-N 1 2 408.955 2.823 20 0 HFADLO CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000807075921 1080256894 /nfs/dbraw/zinc/25/68/94/1080256894.db2.gz MADBUGOOIQHIIO-MRXNPFEDSA-N 1 2 410.518 2.792 20 0 HFADLO C[N@@H+]1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[C@H](c2ccccc2)C1 ZINC000807088448 1080266231 /nfs/dbraw/zinc/26/62/31/1080266231.db2.gz BKOONVXXJVXQOC-GOTSBHOMSA-N 1 2 421.541 2.786 20 0 HFADLO C[N@H+]1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[C@H](c2ccccc2)C1 ZINC000807088448 1080266232 /nfs/dbraw/zinc/26/62/32/1080266232.db2.gz BKOONVXXJVXQOC-GOTSBHOMSA-N 1 2 421.541 2.786 20 0 HFADLO CSCCONC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000807192593 1080342144 /nfs/dbraw/zinc/34/21/44/1080342144.db2.gz JTUPBNYPQGDEFB-UHFFFAOYSA-N 1 2 403.302 2.745 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NC[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000807196862 1080345366 /nfs/dbraw/zinc/34/53/66/1080345366.db2.gz QDMPXZNSRYQVSH-HZPDHXFCSA-N 1 2 416.513 2.758 20 0 HFADLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001170520703 1080416700 /nfs/dbraw/zinc/41/67/00/1080416700.db2.gz ZIYKXAPNKXLKIB-MRXNPFEDSA-N 1 2 400.910 2.978 20 0 HFADLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001170520703 1080416705 /nfs/dbraw/zinc/41/67/05/1080416705.db2.gz ZIYKXAPNKXLKIB-MRXNPFEDSA-N 1 2 400.910 2.978 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000807279354 1080438479 /nfs/dbraw/zinc/43/84/79/1080438479.db2.gz CABFRLWBODWFMK-ZDUSSCGKSA-N 1 2 424.404 2.997 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1ccccc1Cc1ccccc1 ZINC000807281034 1080439152 /nfs/dbraw/zinc/43/91/52/1080439152.db2.gz QDLCLZIFCGVYMH-YLJYHZDGSA-N 1 2 407.470 2.599 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC000807283489 1080443750 /nfs/dbraw/zinc/44/37/50/1080443750.db2.gz INRNLTZUVFVAGD-INIZCTEOSA-N 1 2 402.451 2.510 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(OCc2cccc(C)c2)c1 ZINC000807284733 1080445164 /nfs/dbraw/zinc/44/51/64/1080445164.db2.gz SYQOWJBJTKPJQC-NRFANRHFSA-N 1 2 407.470 2.671 20 0 HFADLO CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000747388198 1080464898 /nfs/dbraw/zinc/46/48/98/1080464898.db2.gz FFBIYEYIMVOPDN-IRXDYDNUSA-N 1 2 415.431 2.802 20 0 HFADLO CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000747388198 1080464900 /nfs/dbraw/zinc/46/49/00/1080464900.db2.gz FFBIYEYIMVOPDN-IRXDYDNUSA-N 1 2 415.431 2.802 20 0 HFADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCc4cc(C)c(C)cc43)cc2)CC1 ZINC000807308067 1080500934 /nfs/dbraw/zinc/50/09/34/1080500934.db2.gz JQJIHDCEDHCMRX-UHFFFAOYSA-N 1 2 420.557 2.969 20 0 HFADLO O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000807487345 1080671458 /nfs/dbraw/zinc/67/14/58/1080671458.db2.gz BQDPUYLBLAEUQQ-QGZVFWFLSA-N 1 2 418.375 2.679 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc2ccsc21 ZINC001164697764 719851776 /nfs/dbraw/zinc/85/17/76/719851776.db2.gz AKBVJFGZMJFXNJ-DJJJIMSYSA-N 1 2 422.576 2.646 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CCCCC2 ZINC001164704634 719852281 /nfs/dbraw/zinc/85/22/81/719852281.db2.gz SCIAUPFUNUSQRG-VFNWGFHPSA-N 1 2 422.957 2.632 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2c3ccccc3oc21 ZINC001164702416 719860485 /nfs/dbraw/zinc/86/04/85/719860485.db2.gz MTUABVPFIDIAFD-WAIKUNEKSA-N 1 2 424.501 2.917 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(C)c(Cl)cnc1Cl ZINC001164701183 719864818 /nfs/dbraw/zinc/86/48/18/719864818.db2.gz FRZOIWDFCJUPLJ-ACJLOTCBSA-N 1 2 402.322 2.930 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2F)nn1 ZINC001164708507 719872466 /nfs/dbraw/zinc/87/24/66/719872466.db2.gz ZPBXFYDSKIODDC-KSFYIVLOSA-N 1 2 414.481 2.515 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5cnccc54)CC3)C2=O)cs1 ZINC001164819344 720374999 /nfs/dbraw/zinc/37/49/99/720374999.db2.gz DHLLVLPAYXAXDQ-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5cnccc54)CC3)C2=O)cs1 ZINC001164819344 720375004 /nfs/dbraw/zinc/37/50/04/720375004.db2.gz DHLLVLPAYXAXDQ-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO CCCc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164819929 720375323 /nfs/dbraw/zinc/37/53/23/720375323.db2.gz JCVMWAVZGRXKMP-UHFFFAOYSA-N 1 2 414.579 2.507 20 0 HFADLO CCCc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164819929 720375331 /nfs/dbraw/zinc/37/53/31/720375331.db2.gz JCVMWAVZGRXKMP-UHFFFAOYSA-N 1 2 414.579 2.507 20 0 HFADLO Cc1cccc2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc12 ZINC001164828601 720428478 /nfs/dbraw/zinc/42/84/78/720428478.db2.gz YDYBTMCLASIZDW-FQEVSTJZSA-N 1 2 421.545 2.729 20 0 HFADLO FC(F)(Oc1cnc(Cl)cn1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164769034 721276368 /nfs/dbraw/zinc/27/63/68/721276368.db2.gz NINNGFVDCRFUDY-ZDUSSCGKSA-N 1 2 422.823 2.862 20 0 HFADLO CCN1CC[C@@]2(CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2C)C1=O ZINC001164777934 721317112 /nfs/dbraw/zinc/31/71/12/721317112.db2.gz NHICXVFAFQQRQF-KOSHJBKYSA-N 1 2 405.546 2.730 20 0 HFADLO CCN1CC[C@@]2(CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2C)C1=O ZINC001164777934 721317119 /nfs/dbraw/zinc/31/71/19/721317119.db2.gz NHICXVFAFQQRQF-KOSHJBKYSA-N 1 2 405.546 2.730 20 0 HFADLO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781937 721427451 /nfs/dbraw/zinc/42/74/51/721427451.db2.gz DVKYUMKALUOENR-AOOOYVTPSA-N 1 2 411.869 2.528 20 0 HFADLO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781937 721427452 /nfs/dbraw/zinc/42/74/52/721427452.db2.gz DVKYUMKALUOENR-AOOOYVTPSA-N 1 2 411.869 2.528 20 0 HFADLO CCOC(=O)c1nc2ccccc2c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165007121 721695205 /nfs/dbraw/zinc/69/52/05/721695205.db2.gz ASMRHYIKUKSSHK-UHFFFAOYSA-N 1 2 423.521 2.649 20 0 HFADLO CCOC(=O)c1nc2ccccc2c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165007121 721695206 /nfs/dbraw/zinc/69/52/06/721695206.db2.gz ASMRHYIKUKSSHK-UHFFFAOYSA-N 1 2 423.521 2.649 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3c1ncn3-c1ccccc1)C2 ZINC001165010065 721717618 /nfs/dbraw/zinc/71/76/18/721717618.db2.gz FYUGFXHZMQFVKT-UHFFFAOYSA-N 1 2 417.521 2.658 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3c1ncn3-c1ccccc1)C2 ZINC001165010065 721717629 /nfs/dbraw/zinc/71/76/29/721717629.db2.gz FYUGFXHZMQFVKT-UHFFFAOYSA-N 1 2 417.521 2.658 20 0 HFADLO F[C@H](c1ccnc(Cl)c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916588 721782422 /nfs/dbraw/zinc/78/24/22/721782422.db2.gz QZAGOJSAHHAOGA-VQTJNVASSA-N 1 2 406.889 2.702 20 0 HFADLO F[C@H](c1ccnc(Cl)c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916588 721782423 /nfs/dbraw/zinc/78/24/23/721782423.db2.gz QZAGOJSAHHAOGA-VQTJNVASSA-N 1 2 406.889 2.702 20 0 HFADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)COc2cncc(Cl)n2)CC1 ZINC001164917158 721819757 /nfs/dbraw/zinc/81/97/57/721819757.db2.gz CMKSGRFCRSOWDM-UHFFFAOYSA-N 1 2 412.872 2.543 20 0 HFADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)COc2cncc(Cl)n2)CC1 ZINC001164917158 721819760 /nfs/dbraw/zinc/81/97/60/721819760.db2.gz CMKSGRFCRSOWDM-UHFFFAOYSA-N 1 2 412.872 2.543 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3cccnc3)nc3c2CCC3)CC1 ZINC001164919033 721820355 /nfs/dbraw/zinc/82/03/55/721820355.db2.gz KRXLWIIECNXDGM-UHFFFAOYSA-N 1 2 415.545 2.973 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(-c3nc(C4CC4)no3)ccn2)CC1 ZINC001164919028 721820603 /nfs/dbraw/zinc/82/06/03/721820603.db2.gz KOZHCSGQBJNSLU-UHFFFAOYSA-N 1 2 405.506 2.955 20 0 HFADLO COc1nc2ccccc2nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945705 721971330 /nfs/dbraw/zinc/97/13/30/721971330.db2.gz QUTMQWWDWQSAFJ-UHFFFAOYSA-N 1 2 417.513 2.609 20 0 HFADLO COc1nc2ccccc2nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945705 721971333 /nfs/dbraw/zinc/97/13/33/721971333.db2.gz QUTMQWWDWQSAFJ-UHFFFAOYSA-N 1 2 417.513 2.609 20 0 HFADLO COc1cc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164944958 721973402 /nfs/dbraw/zinc/97/34/02/721973402.db2.gz KVMQDWJIWZGPRM-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO COc1cc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164944958 721973404 /nfs/dbraw/zinc/97/34/04/721973404.db2.gz KVMQDWJIWZGPRM-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO CSc1nc(Cl)ncc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164943637 721973608 /nfs/dbraw/zinc/97/36/08/721973608.db2.gz APOLTFCWYJYXCE-UHFFFAOYSA-N 1 2 417.966 2.823 20 0 HFADLO CSc1nc(Cl)ncc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164943637 721973609 /nfs/dbraw/zinc/97/36/09/721973609.db2.gz APOLTFCWYJYXCE-UHFFFAOYSA-N 1 2 417.966 2.823 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164948301 721973831 /nfs/dbraw/zinc/97/38/31/721973831.db2.gz XGAYFIFPRFKUNJ-HXUWFJFHSA-N 1 2 418.900 2.834 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN([C@@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164948301 721973833 /nfs/dbraw/zinc/97/38/33/721973833.db2.gz XGAYFIFPRFKUNJ-HXUWFJFHSA-N 1 2 418.900 2.834 20 0 HFADLO C[C@@H]1CCc2nnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)cc2C1 ZINC001164949374 721980772 /nfs/dbraw/zinc/98/07/72/721980772.db2.gz PBMLUWWJIDACRA-GOSISDBHSA-N 1 2 405.546 2.572 20 0 HFADLO C[C@@H]1CCc2nnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)cc2C1 ZINC001164949374 721980774 /nfs/dbraw/zinc/98/07/74/721980774.db2.gz PBMLUWWJIDACRA-GOSISDBHSA-N 1 2 405.546 2.572 20 0 HFADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056356 722014605 /nfs/dbraw/zinc/01/46/05/722014605.db2.gz UGEKRTMDYBHZHH-UHFFFAOYSA-N 1 2 410.305 2.720 20 0 HFADLO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)cc1 ZINC000790590601 1078062993 /nfs/dbraw/zinc/06/29/93/1078062993.db2.gz MOHGDGBIPGXRFJ-UHFFFAOYSA-N 1 2 419.934 2.641 20 0 HFADLO C[C@@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+]Cc3cnn(-c4ccccc4)n3)c2)C1=O ZINC000790606783 1078062430 /nfs/dbraw/zinc/06/24/30/1078062430.db2.gz BJESNCDQDUZPBE-QHCPKHFHSA-N 1 2 416.485 2.782 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)N(CCO)Cc2cccnc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000793136092 1078088056 /nfs/dbraw/zinc/08/80/56/1078088056.db2.gz XSZDJFFOPCUMRL-ZWKOTPCHSA-N 1 2 424.879 2.963 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)N(CCO)Cc2cccnc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000793136092 1078088060 /nfs/dbraw/zinc/08/80/60/1078088060.db2.gz XSZDJFFOPCUMRL-ZWKOTPCHSA-N 1 2 424.879 2.963 20 0 HFADLO COc1cccc(NC(=O)COc2ccc(C(=O)OCCc3c[nH+]cn3C)cc2)c1 ZINC000793242971 1078108376 /nfs/dbraw/zinc/10/83/76/1078108376.db2.gz RKAQZQWZBLBXOK-UHFFFAOYSA-N 1 2 409.442 2.846 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)CCC(=O)c1ccc(I)cc1 ZINC000793250936 1078110836 /nfs/dbraw/zinc/11/08/36/1078110836.db2.gz RHICWQPEYFMHKJ-UHFFFAOYSA-N 1 2 412.227 2.774 20 0 HFADLO CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001170431542 1078163921 /nfs/dbraw/zinc/16/39/21/1078163921.db2.gz KYCVVLDLFDYYQG-GOSISDBHSA-N 1 2 420.506 2.882 20 0 HFADLO COCC1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793384361 1078162606 /nfs/dbraw/zinc/16/26/06/1078162606.db2.gz VOHBTASIMIIBIW-MRXNPFEDSA-N 1 2 406.527 2.779 20 0 HFADLO C[N@@H+]1CCN(Cc2cnc(-c3ccncc3)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793607672 1078224272 /nfs/dbraw/zinc/22/42/72/1078224272.db2.gz SXNWEOIDFBXWDY-INIZCTEOSA-N 1 2 403.552 2.846 20 0 HFADLO C[N@H+]1CCN(Cc2cnc(-c3ccncc3)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793607672 1078224275 /nfs/dbraw/zinc/22/42/75/1078224275.db2.gz SXNWEOIDFBXWDY-INIZCTEOSA-N 1 2 403.552 2.846 20 0 HFADLO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)ccc21 ZINC000793646175 1078240232 /nfs/dbraw/zinc/24/02/32/1078240232.db2.gz PWKAOSQFRJEWJP-LJQANCHMSA-N 1 2 415.534 2.921 20 0 HFADLO CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793710431 1078259882 /nfs/dbraw/zinc/25/98/82/1078259882.db2.gz SKWNKPICPPJUOF-LBUQITIBSA-N 1 2 420.554 2.776 20 0 HFADLO CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793710431 1078259886 /nfs/dbraw/zinc/25/98/86/1078259886.db2.gz SKWNKPICPPJUOF-LBUQITIBSA-N 1 2 420.554 2.776 20 0 HFADLO CC(C)[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793721954 1078265758 /nfs/dbraw/zinc/26/57/58/1078265758.db2.gz NTGYOXMGSFUGHT-GIMINZRKSA-N 1 2 420.554 2.632 20 0 HFADLO CC(C)[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793721954 1078265759 /nfs/dbraw/zinc/26/57/59/1078265759.db2.gz NTGYOXMGSFUGHT-GIMINZRKSA-N 1 2 420.554 2.632 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000793780370 1078309745 /nfs/dbraw/zinc/30/97/45/1078309745.db2.gz CHENBINYMFFSDZ-RTWAWAEBSA-N 1 2 422.460 2.664 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC000793811251 1078314395 /nfs/dbraw/zinc/31/43/95/1078314395.db2.gz GRAMAXARVTUXBU-GSEOLPGOSA-N 1 2 421.582 2.782 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC000793811251 1078314400 /nfs/dbraw/zinc/31/44/00/1078314400.db2.gz GRAMAXARVTUXBU-GSEOLPGOSA-N 1 2 421.582 2.782 20 0 HFADLO C[C@@H](NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)c1cccc(OC(F)(F)F)c1 ZINC000793870332 1078328927 /nfs/dbraw/zinc/32/89/27/1078328927.db2.gz ZKKWABBVMZDOPH-CQSZACIVSA-N 1 2 421.419 2.894 20 0 HFADLO CCOC(=O)N1CCC([C@@H](C)NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000793877385 1078332447 /nfs/dbraw/zinc/33/24/47/1078332447.db2.gz WUKPONUENUSHAA-GFCCVEGCSA-N 1 2 408.449 2.996 20 0 HFADLO CCC[NH+]1CCN(c2ccc(NS(=O)(=O)c3cnn(C)c3C)cc2Cl)CC1 ZINC000794019187 1078362211 /nfs/dbraw/zinc/36/22/11/1078362211.db2.gz TWOSEYDFDQSTGU-UHFFFAOYSA-N 1 2 411.959 2.715 20 0 HFADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000794205570 1078384515 /nfs/dbraw/zinc/38/45/15/1078384515.db2.gz JJOAOHBVVMDUDD-HSZRJFAPSA-N 1 2 415.453 2.717 20 0 HFADLO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1)C1=COCC1 ZINC000794348814 1078422117 /nfs/dbraw/zinc/42/21/17/1078422117.db2.gz SYNYOZMAQPXWLJ-INIZCTEOSA-N 1 2 412.271 2.676 20 0 HFADLO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1)C1=COCC1 ZINC000794348814 1078422118 /nfs/dbraw/zinc/42/21/18/1078422118.db2.gz SYNYOZMAQPXWLJ-INIZCTEOSA-N 1 2 412.271 2.676 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804435421 1078478045 /nfs/dbraw/zinc/47/80/45/1078478045.db2.gz DKSZQCCNCHYCFG-WDSOQIARSA-N 1 2 403.523 2.574 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804435422 1078478076 /nfs/dbraw/zinc/47/80/76/1078478076.db2.gz DKSZQCCNCHYCFG-YTQUADARSA-N 1 2 403.523 2.574 20 0 HFADLO Cc1cccc(F)c1-n1nc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c2c1CCC2 ZINC001129773671 1078484242 /nfs/dbraw/zinc/48/42/42/1078484242.db2.gz RHCFEHXJZSIKGU-UHFFFAOYSA-N 1 2 414.525 2.991 20 0 HFADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804438263 1078483112 /nfs/dbraw/zinc/48/31/12/1078483112.db2.gz LZKMAVZEPPJKKJ-JQWIXIFHSA-N 1 2 409.499 2.928 20 0 HFADLO C[C@H]1[C@@H](CO)CCCN1C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129772802 1078483150 /nfs/dbraw/zinc/48/31/50/1078483150.db2.gz FUKXGTMZQCZLRV-AZUAARDMSA-N 1 2 419.566 2.633 20 0 HFADLO C[C@H]1[C@@H](CO)CCCN1C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129772802 1078483155 /nfs/dbraw/zinc/48/31/55/1078483155.db2.gz FUKXGTMZQCZLRV-AZUAARDMSA-N 1 2 419.566 2.633 20 0 HFADLO CN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)C(C)(C)C[NH+]1CCOCC1 ZINC001129773608 1078484258 /nfs/dbraw/zinc/48/42/58/1078484258.db2.gz QHMAHXKBTYVMTH-UHFFFAOYSA-N 1 2 421.339 2.818 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(-c3ccc(OC)cc3)cc2F)CC1 ZINC001129822894 1078517977 /nfs/dbraw/zinc/51/79/77/1078517977.db2.gz ONGJHJONJQIMOH-UHFFFAOYSA-N 1 2 416.493 2.921 20 0 HFADLO C[C@H]1CC[C@H](CNC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)O1 ZINC001129519850 1078531268 /nfs/dbraw/zinc/53/12/68/1078531268.db2.gz LUXFWXQLMYBJML-PKOBYXMFSA-N 1 2 405.539 2.697 20 0 HFADLO C[C@H]1CC[C@H](CNC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)O1 ZINC001129519850 1078531272 /nfs/dbraw/zinc/53/12/72/1078531272.db2.gz LUXFWXQLMYBJML-PKOBYXMFSA-N 1 2 405.539 2.697 20 0 HFADLO Cc1nc(-c2ccn(C)n2)sc1CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001129586397 1078584564 /nfs/dbraw/zinc/58/45/64/1078584564.db2.gz NRHLSSZBADCTRE-UHFFFAOYSA-N 1 2 406.515 2.956 20 0 HFADLO CCNc1nc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000804563562 1078599205 /nfs/dbraw/zinc/59/92/05/1078599205.db2.gz SPZPRJQTQISMKZ-KBPBESRZSA-N 1 2 407.563 2.818 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)c([C@H](C)O)c2)[C@@H]1c1c[nH+]cn1C ZINC000804799516 1078631296 /nfs/dbraw/zinc/63/12/96/1078631296.db2.gz ADAHKAFKNLCBNQ-XBHMSOGKSA-N 1 2 402.470 2.941 20 0 HFADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000804811777 1078655931 /nfs/dbraw/zinc/65/59/31/1078655931.db2.gz CNWOLVCTABPKSA-UHFFFAOYSA-N 1 2 408.955 2.558 20 0 HFADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000804811777 1078655937 /nfs/dbraw/zinc/65/59/37/1078655937.db2.gz CNWOLVCTABPKSA-UHFFFAOYSA-N 1 2 408.955 2.558 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3cncc(Br)c3)C2)CC1 ZINC000804834191 1078675450 /nfs/dbraw/zinc/67/54/50/1078675450.db2.gz ARZPKHPLZWRRIK-HNNXBMFYSA-N 1 2 411.344 2.976 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3ncnc4c3CCCCC4)C2)CC1 ZINC000804835706 1078677066 /nfs/dbraw/zinc/67/70/66/1078677066.db2.gz XGXCXIQNUWGDFK-KRWDZBQOSA-N 1 2 401.555 2.877 20 0 HFADLO CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)NCc2[nH+]cc(C)c(OC)c2C)s1 ZINC000805028629 1078840775 /nfs/dbraw/zinc/84/07/75/1078840775.db2.gz AMSKCCIFZBUWJW-YPMHNXCESA-N 1 2 420.539 2.583 20 0 HFADLO Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)NC1CC[NH+](c3ccc(N(C)C)cc3)CC1)CC2 ZINC000805056504 1078869485 /nfs/dbraw/zinc/86/94/85/1078869485.db2.gz ZQMQAPGGMQEBFM-QHCPKHFHSA-N 1 2 420.557 2.950 20 0 HFADLO Cc1csc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000805057785 1078870672 /nfs/dbraw/zinc/87/06/72/1078870672.db2.gz HPIVLTDEGKUGDK-HZPDHXFCSA-N 1 2 423.583 2.849 20 0 HFADLO Cc1csc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000805057787 1078870691 /nfs/dbraw/zinc/87/06/91/1078870691.db2.gz HPIVLTDEGKUGDK-JKSUJKDBSA-N 1 2 423.583 2.849 20 0 HFADLO Cc1cccc(F)c1CNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805158071 1078950607 /nfs/dbraw/zinc/95/06/07/1078950607.db2.gz ZIMUDDLZHZPRKB-QGZVFWFLSA-N 1 2 420.529 2.971 20 0 HFADLO CC(C)OCCCCNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805277977 1079005564 /nfs/dbraw/zinc/00/55/64/1079005564.db2.gz OTGVGPCBEDYLOP-SFHVURJKSA-N 1 2 412.575 2.528 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCCC[C@H]3CCCCO3)C2)CC1 ZINC000805281990 1079007298 /nfs/dbraw/zinc/00/72/98/1079007298.db2.gz IWESRBTZRAAOPO-RTBURBONSA-N 1 2 424.586 2.672 20 0 HFADLO CCOC1CC(CCNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000805331971 1079022092 /nfs/dbraw/zinc/02/20/92/1079022092.db2.gz KNMQTBDGBKJUCE-XBMUEBEBSA-N 1 2 424.586 2.528 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000805476495 1079092531 /nfs/dbraw/zinc/09/25/31/1079092531.db2.gz QRZRBYJHWXZSQR-HXUWFJFHSA-N 1 2 403.500 2.592 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)C1 ZINC000805476495 1079092539 /nfs/dbraw/zinc/09/25/39/1079092539.db2.gz QRZRBYJHWXZSQR-HXUWFJFHSA-N 1 2 403.500 2.592 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000805474230 1079090328 /nfs/dbraw/zinc/09/03/28/1079090328.db2.gz OBKZLBIIZFRTHK-YGRLFVJLSA-N 1 2 408.804 2.950 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000805474230 1079090338 /nfs/dbraw/zinc/09/03/38/1079090338.db2.gz OBKZLBIIZFRTHK-YGRLFVJLSA-N 1 2 408.804 2.950 20 0 HFADLO COC(=O)/C=C/c1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000747247896 1079104461 /nfs/dbraw/zinc/10/44/61/1079104461.db2.gz MDUFCVMGHIPWOA-JXMROGBWSA-N 1 2 415.515 2.737 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC=CO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805515722 1079114856 /nfs/dbraw/zinc/11/48/56/1079114856.db2.gz LOTNNPANZKWJGM-FHLIZLRMSA-N 1 2 409.889 2.540 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC=CO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805515722 1079114860 /nfs/dbraw/zinc/11/48/60/1079114860.db2.gz LOTNNPANZKWJGM-FHLIZLRMSA-N 1 2 409.889 2.540 20 0 HFADLO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788408 1079254909 /nfs/dbraw/zinc/25/49/09/1079254909.db2.gz NFPGYKFRNVYJNW-HJXMPXNTSA-N 1 2 404.429 2.515 20 0 HFADLO COc1ccc(OC)c([C@@H](O)C[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805788408 1079254914 /nfs/dbraw/zinc/25/49/14/1079254914.db2.gz NFPGYKFRNVYJNW-HJXMPXNTSA-N 1 2 404.429 2.515 20 0 HFADLO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787430 1079253517 /nfs/dbraw/zinc/25/35/17/1079253517.db2.gz POWAUPJEYPGGCL-DNCCFGNJSA-N 1 2 403.489 2.945 20 0 HFADLO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787430 1079253522 /nfs/dbraw/zinc/25/35/22/1079253522.db2.gz POWAUPJEYPGGCL-DNCCFGNJSA-N 1 2 403.489 2.945 20 0 HFADLO CCOc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000805788265 1079254975 /nfs/dbraw/zinc/25/49/75/1079254975.db2.gz DEJVCOKLYJCSAZ-AFIMGQEJSA-N 1 2 418.456 2.602 20 0 HFADLO CCOc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000805788265 1079254978 /nfs/dbraw/zinc/25/49/78/1079254978.db2.gz DEJVCOKLYJCSAZ-AFIMGQEJSA-N 1 2 418.456 2.602 20 0 HFADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1(c2cccc(Br)c2)CCCCC1 ZINC000747301818 1079417751 /nfs/dbraw/zinc/41/77/51/1079417751.db2.gz MYLDLZOHKNUCMY-SFHVURJKSA-N 1 2 406.368 2.767 20 0 HFADLO CN(C)c1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806185810 1079478286 /nfs/dbraw/zinc/47/82/86/1079478286.db2.gz CPPNIJMQJZEXGO-QGZVFWFLSA-N 1 2 417.554 2.912 20 0 HFADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000787332725 1076744859 /nfs/dbraw/zinc/74/48/59/1076744859.db2.gz VISYCFZDAHYAFM-ZJBJCVSYSA-N 1 2 420.513 2.772 20 0 HFADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000787332725 1076744863 /nfs/dbraw/zinc/74/48/63/1076744863.db2.gz VISYCFZDAHYAFM-ZJBJCVSYSA-N 1 2 420.513 2.772 20 0 HFADLO CC[C@H](C(=O)Nc1ccc(-c2nnc(CNC(=O)OC(C)(C)C)[nH]2)cc1)[NH+](C)C ZINC000772698756 1076752469 /nfs/dbraw/zinc/75/24/69/1076752469.db2.gz YWOPVGVRMIJPPE-OAHLLOKOSA-N 1 2 402.499 2.775 20 0 HFADLO CC[C@H](C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1)[NH+](C)C ZINC000772698756 1076752478 /nfs/dbraw/zinc/75/24/78/1076752478.db2.gz YWOPVGVRMIJPPE-OAHLLOKOSA-N 1 2 402.499 2.775 20 0 HFADLO CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787353521 1076794053 /nfs/dbraw/zinc/79/40/53/1076794053.db2.gz UGSDKBQOIOOXGL-GOSISDBHSA-N 1 2 405.539 2.903 20 0 HFADLO CN(CCCOc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787353521 1076794055 /nfs/dbraw/zinc/79/40/55/1076794055.db2.gz UGSDKBQOIOOXGL-GOSISDBHSA-N 1 2 405.539 2.903 20 0 HFADLO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000787356042 1076794743 /nfs/dbraw/zinc/79/47/43/1076794743.db2.gz OYAFWXDYNRLOGZ-QGZVFWFLSA-N 1 2 421.538 2.651 20 0 HFADLO COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000787356042 1076794748 /nfs/dbraw/zinc/79/47/48/1076794748.db2.gz OYAFWXDYNRLOGZ-QGZVFWFLSA-N 1 2 421.538 2.651 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000787355615 1076794759 /nfs/dbraw/zinc/79/47/59/1076794759.db2.gz ASALRIMLDXEXQJ-RTBURBONSA-N 1 2 421.513 2.715 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000787355615 1076794762 /nfs/dbraw/zinc/79/47/62/1076794762.db2.gz ASALRIMLDXEXQJ-RTBURBONSA-N 1 2 421.513 2.715 20 0 HFADLO CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000787355704 1076794816 /nfs/dbraw/zinc/79/48/16/1076794816.db2.gz HFDQWTHJUVAJJZ-LJQANCHMSA-N 1 2 405.539 2.828 20 0 HFADLO CCOCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000787355704 1076794819 /nfs/dbraw/zinc/79/48/19/1076794819.db2.gz HFDQWTHJUVAJJZ-LJQANCHMSA-N 1 2 405.539 2.828 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@@H](C)c2ccccc2OC(F)F)c1C ZINC000787387653 1076804246 /nfs/dbraw/zinc/80/42/46/1076804246.db2.gz OIDJSBFHKLAXLV-ZDUSSCGKSA-N 1 2 407.417 2.802 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)CN3CCCCCC3=O)cc2Br)CC1 ZINC000787534760 1076851711 /nfs/dbraw/zinc/85/17/11/1076851711.db2.gz CLLALJBVYZYRTJ-UHFFFAOYSA-N 1 2 423.355 2.542 20 0 HFADLO Cc1cccc(NC(=O)N2CC[NH+](CCOCCNC(=O)OC(C)(C)C)CC2)c1 ZINC000787730815 1076934086 /nfs/dbraw/zinc/93/40/86/1076934086.db2.gz OEQXYHWHXWBTNV-UHFFFAOYSA-N 1 2 406.527 2.686 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NC3CCCCC3)cc2Br)CC1 ZINC000787872598 1076968711 /nfs/dbraw/zinc/96/87/11/1076968711.db2.gz IZLZOHRTTFERQF-UHFFFAOYSA-N 1 2 423.355 2.588 20 0 HFADLO Cc1cnc(Cl)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000787892834 1076981040 /nfs/dbraw/zinc/98/10/40/1076981040.db2.gz YRSBLNRNULDECX-ZBFHGGJFSA-N 1 2 408.836 2.822 20 0 HFADLO Cc1cnc(Cl)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000787892834 1076981043 /nfs/dbraw/zinc/98/10/43/1076981043.db2.gz YRSBLNRNULDECX-ZBFHGGJFSA-N 1 2 408.836 2.822 20 0 HFADLO C[C@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(OC(F)F)cc1 ZINC000787855077 1076981717 /nfs/dbraw/zinc/98/17/17/1076981717.db2.gz MZPWPLXDUXTXBW-DZGCQCFKSA-N 1 2 406.433 2.605 20 0 HFADLO CNc1ncc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)s1 ZINC000788015281 1077029132 /nfs/dbraw/zinc/02/91/32/1077029132.db2.gz CZSLBPVRIIFEFD-UHFFFAOYSA-N 1 2 410.341 2.951 20 0 HFADLO Cn1cc(-n2cc(C(=O)N[C@@H]3CCc4[nH+]c(C5CCCCC5)[nH]c4C3)ccc2=O)cn1 ZINC000788242773 1077085341 /nfs/dbraw/zinc/08/53/41/1077085341.db2.gz LEQZNUGBBKLEGN-QGZVFWFLSA-N 1 2 420.517 2.629 20 0 HFADLO Cn1cc(-n2cc(C(=O)N[C@@H]3CCc4[nH]c(C5CCCCC5)[nH+]c4C3)ccc2=O)cn1 ZINC000788242773 1077085345 /nfs/dbraw/zinc/08/53/45/1077085345.db2.gz LEQZNUGBBKLEGN-QGZVFWFLSA-N 1 2 420.517 2.629 20 0 HFADLO CC1=C(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)[C@@H](C)n2ncnc2N1C ZINC000788271863 1077094593 /nfs/dbraw/zinc/09/45/93/1077094593.db2.gz YLRCUPUREWGWAY-GXTWGEPZSA-N 1 2 401.540 2.890 20 0 HFADLO CC1=C(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)[C@@H](C)n2ncnc2N1C ZINC000788271863 1077094598 /nfs/dbraw/zinc/09/45/98/1077094598.db2.gz YLRCUPUREWGWAY-GXTWGEPZSA-N 1 2 401.540 2.890 20 0 HFADLO COC(=O)CCc1c(C)nc2c(c(=O)n(C[N@@H+]3CCSC(C)(C)CC3)n2C)c1C ZINC000788377008 1077133587 /nfs/dbraw/zinc/13/35/87/1077133587.db2.gz SVUZUPHQQUJKJH-UHFFFAOYSA-N 1 2 420.579 2.632 20 0 HFADLO COC(=O)CCc1c(C)nc2c(c(=O)n(C[N@H+]3CCSC(C)(C)CC3)n2C)c1C ZINC000788377008 1077133588 /nfs/dbraw/zinc/13/35/88/1077133588.db2.gz SVUZUPHQQUJKJH-UHFFFAOYSA-N 1 2 420.579 2.632 20 0 HFADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788471268 1077170290 /nfs/dbraw/zinc/17/02/90/1077170290.db2.gz LDGQBNHJPUBPGI-DYESRHJHSA-N 1 2 422.533 2.985 20 0 HFADLO CC(C)(C)OC(=O)N1CCN(CC[NH+]2CCN(C(=O)CCC3CCCC3)CC2)CC1 ZINC000788475586 1077172230 /nfs/dbraw/zinc/17/22/30/1077172230.db2.gz QGCWAUMIIVYFJI-UHFFFAOYSA-N 1 2 422.614 2.654 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCN2CCN(C(=O)CCC3CCCC3)CC2)CC1 ZINC000788475586 1077172233 /nfs/dbraw/zinc/17/22/33/1077172233.db2.gz QGCWAUMIIVYFJI-UHFFFAOYSA-N 1 2 422.614 2.654 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000788543133 1077194661 /nfs/dbraw/zinc/19/46/61/1077194661.db2.gz XLQSSHSDZGSUBQ-BRWVUGGUSA-N 1 2 408.518 2.624 20 0 HFADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCSC(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000788555623 1077200015 /nfs/dbraw/zinc/20/00/15/1077200015.db2.gz BZDIRKWCLDJDCC-CHWSQXEVSA-N 1 2 409.861 2.571 20 0 HFADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCSC(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000788555623 1077200017 /nfs/dbraw/zinc/20/00/17/1077200017.db2.gz BZDIRKWCLDJDCC-CHWSQXEVSA-N 1 2 409.861 2.571 20 0 HFADLO CN(C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746751076 1077206246 /nfs/dbraw/zinc/20/62/46/1077206246.db2.gz HPHCDJZAVPPURK-UHFFFAOYSA-N 1 2 405.543 2.803 20 0 HFADLO COCC[S@@](=O)Cc1cccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000788604753 1077221367 /nfs/dbraw/zinc/22/13/67/1077221367.db2.gz KPMDIKCINZEIEJ-WHLCRQNOSA-N 1 2 403.504 2.662 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(C)c1Cl ZINC000788617292 1077229218 /nfs/dbraw/zinc/22/92/18/1077229218.db2.gz DNMXIYMWCLVSRE-NSHDSACASA-N 1 2 403.913 2.719 20 0 HFADLO CCN(C(=O)c1ccc(F)c(S(C)(=O)=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000790951685 1077252887 /nfs/dbraw/zinc/25/28/87/1077252887.db2.gz JVJSSVKJSJAORL-SFHVURJKSA-N 1 2 404.507 2.966 20 0 HFADLO CCN(C(=O)c1ccc(F)c(S(C)(=O)=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790951685 1077252890 /nfs/dbraw/zinc/25/28/90/1077252890.db2.gz JVJSSVKJSJAORL-SFHVURJKSA-N 1 2 404.507 2.966 20 0 HFADLO O=C(NCCC1(O)CCC1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000790984858 1077269982 /nfs/dbraw/zinc/26/99/82/1077269982.db2.gz DBCDENHQQXCSPD-UHFFFAOYSA-N 1 2 401.429 2.718 20 0 HFADLO CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788751325 1077276165 /nfs/dbraw/zinc/27/61/65/1077276165.db2.gz SOXWFKMIEHHLTE-OAQYLSRUSA-N 1 2 403.486 2.815 20 0 HFADLO CS(=O)(=O)c1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1F ZINC000791044410 1077281593 /nfs/dbraw/zinc/28/15/93/1077281593.db2.gz KJCHBKOFPYXHSR-UHFFFAOYSA-N 1 2 405.495 2.782 20 0 HFADLO CCO[C@H]1C[C@](O)(CNC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1(C)C ZINC000788801278 1077292243 /nfs/dbraw/zinc/29/22/43/1077292243.db2.gz PIHNKBCFRPTZIH-REWPJTCUSA-N 1 2 418.582 2.587 20 0 HFADLO COc1cc2c(cc1OC)CC[NH+](CN1C(=O)C[C@H](Cc3ccccc3)C1=O)CC2 ZINC000788773981 1077297019 /nfs/dbraw/zinc/29/70/19/1077297019.db2.gz ZLGMRYHOSGKHIG-FQEVSTJZSA-N 1 2 408.498 2.680 20 0 HFADLO C[C@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746985751 1077319274 /nfs/dbraw/zinc/31/92/74/1077319274.db2.gz IKYGILSTAJXMFN-ZFWWWQNUSA-N 1 2 404.413 2.606 20 0 HFADLO C[C@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000746985751 1077319283 /nfs/dbraw/zinc/31/92/83/1077319283.db2.gz IKYGILSTAJXMFN-ZFWWWQNUSA-N 1 2 404.413 2.606 20 0 HFADLO CC(C)[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H](O)c1ccccc1 ZINC000788850108 1077319525 /nfs/dbraw/zinc/31/95/25/1077319525.db2.gz XFBDNQPXFXFBTL-VJBWXMMDSA-N 1 2 411.546 2.945 20 0 HFADLO CC(C)[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H](O)c1ccccc1 ZINC000788850108 1077319532 /nfs/dbraw/zinc/31/95/32/1077319532.db2.gz XFBDNQPXFXFBTL-VJBWXMMDSA-N 1 2 411.546 2.945 20 0 HFADLO Cc1sc(Br)nc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000791197113 1077321015 /nfs/dbraw/zinc/32/10/15/1077321015.db2.gz NRRYNVNUNXEDCU-CQSZACIVSA-N 1 2 410.337 2.845 20 0 HFADLO Cc1sc(Br)nc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000791197113 1077321021 /nfs/dbraw/zinc/32/10/21/1077321021.db2.gz NRRYNVNUNXEDCU-CQSZACIVSA-N 1 2 410.337 2.845 20 0 HFADLO C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@H]1CCc3[nH+]c(C4CCCCC4)[nH]c3C1)CS2 ZINC000791270604 1077354541 /nfs/dbraw/zinc/35/45/41/1077354541.db2.gz FHYAXPONERCISP-FNXXIHLHSA-N 1 2 402.564 2.885 20 0 HFADLO C[C@]12CCC(=O)N1[C@H](C(=O)N[C@@H]1CCc3[nH]c(C4CCCCC4)[nH+]c3C1)CS2 ZINC000791270604 1077354542 /nfs/dbraw/zinc/35/45/42/1077354542.db2.gz FHYAXPONERCISP-FNXXIHLHSA-N 1 2 402.564 2.885 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000791274436 1077356260 /nfs/dbraw/zinc/35/62/60/1077356260.db2.gz OEILGACRAADGBE-UHFFFAOYSA-N 1 2 411.483 2.978 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCNS(=O)(=O)c1cccs1 ZINC000791302423 1077364272 /nfs/dbraw/zinc/36/42/72/1077364272.db2.gz RMAFPIGOFDBITG-UHFFFAOYSA-N 1 2 405.501 2.654 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(CCNS(C)(=O)=O)cc1 ZINC000791307982 1077366968 /nfs/dbraw/zinc/36/69/68/1077366968.db2.gz APQGNLQGXSRYAP-UHFFFAOYSA-N 1 2 413.499 2.629 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000789040496 1077391548 /nfs/dbraw/zinc/39/15/48/1077391548.db2.gz TTZPDNMFCJNJEF-HKUYNNGSSA-N 1 2 420.554 2.615 20 0 HFADLO O=C(Nc1ccnn1C1CCCC1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000746786380 1077398321 /nfs/dbraw/zinc/39/83/21/1077398321.db2.gz PGUUINRHUPRFGX-UHFFFAOYSA-N 1 2 413.497 2.810 20 0 HFADLO O=C(Nc1ccnn1C1CCCC1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000746786380 1077398326 /nfs/dbraw/zinc/39/83/26/1077398326.db2.gz PGUUINRHUPRFGX-UHFFFAOYSA-N 1 2 413.497 2.810 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000791403087 1077399588 /nfs/dbraw/zinc/39/95/88/1077399588.db2.gz WVKUENDUIYXPJR-JOCHJYFZSA-N 1 2 404.426 2.592 20 0 HFADLO Nc1c(F)cc(Cl)cc1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000791479443 1077421375 /nfs/dbraw/zinc/42/13/75/1077421375.db2.gz NIRUVWQULVPGCN-UHFFFAOYSA-N 1 2 411.886 2.624 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)C2)c1 ZINC000791543533 1077460431 /nfs/dbraw/zinc/46/04/31/1077460431.db2.gz DIDVZXJEEBBJJP-NRFANRHFSA-N 1 2 424.432 2.838 20 0 HFADLO CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000791497910 1077461929 /nfs/dbraw/zinc/46/19/29/1077461929.db2.gz UEUCSHGYVSJCPD-FQEVSTJZSA-N 1 2 413.499 2.863 20 0 HFADLO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789224488 1077463569 /nfs/dbraw/zinc/46/35/69/1077463569.db2.gz VKCBBQXLTOVFAX-CGTJXYLNSA-N 1 2 404.511 2.890 20 0 HFADLO O=C(COC(=O)[C@H]1CCCc2c(O)cccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000789252265 1077474311 /nfs/dbraw/zinc/47/43/11/1077474311.db2.gz NQNWLVLUSPHLET-NRFANRHFSA-N 1 2 424.497 2.826 20 0 HFADLO Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000791603916 1077501243 /nfs/dbraw/zinc/50/12/43/1077501243.db2.gz MSHMHZXICQJLDW-UHFFFAOYSA-N 1 2 411.483 2.808 20 0 HFADLO Cc1ccc(-n2ncc(C(=O)N3CC[NH2+][C@@H](c4cnn(C)c4)C3)c2C(F)(F)F)cc1 ZINC001170101781 1077516187 /nfs/dbraw/zinc/51/61/87/1077516187.db2.gz LTZLHQGBDLAOCG-QGZVFWFLSA-N 1 2 418.423 2.720 20 0 HFADLO COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000791703133 1077533187 /nfs/dbraw/zinc/53/31/87/1077533187.db2.gz PPFTTZPAWWZUNH-UHFFFAOYSA-N 1 2 403.866 2.921 20 0 HFADLO CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000746810098 1077551080 /nfs/dbraw/zinc/55/10/80/1077551080.db2.gz BVACAGZGEJUJSG-UHFFFAOYSA-N 1 2 423.473 2.533 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C(=O)NCC(C)C)CC2)C1=O ZINC000789425854 1077555152 /nfs/dbraw/zinc/55/51/52/1077555152.db2.gz REWBVLUCFUWLGY-JOCHJYFZSA-N 1 2 406.571 2.565 20 0 HFADLO CC1CCC2(CC1)NC(=O)N(C[N@@H+]1CCCN(c3ccc(F)c(F)c3)CC1)C2=O ZINC000789444977 1077576179 /nfs/dbraw/zinc/57/61/79/1077576179.db2.gz WLVLUNQBHHFIKM-UHFFFAOYSA-N 1 2 406.477 2.935 20 0 HFADLO CC1CCC2(CC1)NC(=O)N(C[N@H+]1CCCN(c3ccc(F)c(F)c3)CC1)C2=O ZINC000789444977 1077576184 /nfs/dbraw/zinc/57/61/84/1077576184.db2.gz WLVLUNQBHHFIKM-UHFFFAOYSA-N 1 2 406.477 2.935 20 0 HFADLO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000791980735 1077620514 /nfs/dbraw/zinc/62/05/14/1077620514.db2.gz NJQARHLJSKKFFO-PXNSSMCTSA-N 1 2 402.491 2.986 20 0 HFADLO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000791980735 1077620518 /nfs/dbraw/zinc/62/05/18/1077620518.db2.gz NJQARHLJSKKFFO-PXNSSMCTSA-N 1 2 402.491 2.986 20 0 HFADLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000789528805 1077624324 /nfs/dbraw/zinc/62/43/24/1077624324.db2.gz IPGPEKSJBHHUIR-KNQAVFIVSA-N 1 2 409.530 2.611 20 0 HFADLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000789528805 1077624325 /nfs/dbraw/zinc/62/43/25/1077624325.db2.gz IPGPEKSJBHHUIR-KNQAVFIVSA-N 1 2 409.530 2.611 20 0 HFADLO C[C@H](CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)NC(=O)OC(C)(C)C ZINC000792116098 1077703185 /nfs/dbraw/zinc/70/31/85/1077703185.db2.gz WKFKMIYGPHECDS-NVXWUHKLSA-N 1 2 401.511 2.916 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cccnc2-c2ccc(Cl)s2)[nH+]1 ZINC000789598714 1077703654 /nfs/dbraw/zinc/70/36/54/1077703654.db2.gz CFGNEJSUIFFNHA-UHFFFAOYSA-N 1 2 424.273 2.770 20 0 HFADLO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000746836347 1077708253 /nfs/dbraw/zinc/70/82/53/1077708253.db2.gz GRKZPKOQYDTOBM-QGZVFWFLSA-N 1 2 404.555 2.876 20 0 HFADLO C[C@@H](CC(=O)c1ccccc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792221166 1077748112 /nfs/dbraw/zinc/74/81/12/1077748112.db2.gz MIIJHHKQJOEPHX-KRWDZBQOSA-N 1 2 403.523 2.707 20 0 HFADLO COc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000792216532 1077770219 /nfs/dbraw/zinc/77/02/19/1077770219.db2.gz YYJWTZWGPSYRRE-UHFFFAOYSA-N 1 2 419.363 2.550 20 0 HFADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789770960 1077771438 /nfs/dbraw/zinc/77/14/38/1077771438.db2.gz SSFICEJKJQCOLG-SFHVURJKSA-N 1 2 408.289 2.662 20 0 HFADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789770960 1077771442 /nfs/dbraw/zinc/77/14/42/1077771442.db2.gz SSFICEJKJQCOLG-SFHVURJKSA-N 1 2 408.289 2.662 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Oc2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000792288342 1077776758 /nfs/dbraw/zinc/77/67/58/1077776758.db2.gz CZVXTJOLKMTXHG-UHFFFAOYSA-N 1 2 417.506 2.810 20 0 HFADLO Cc1cc(N2CCN(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000792256007 1077781212 /nfs/dbraw/zinc/78/12/12/1077781212.db2.gz PNMLEQRSZVSTDH-INIZCTEOSA-N 1 2 420.558 2.653 20 0 HFADLO CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000792264266 1077786664 /nfs/dbraw/zinc/78/66/64/1077786664.db2.gz PAPJGPFSFRMLLX-QGZVFWFLSA-N 1 2 420.554 2.826 20 0 HFADLO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789784419 1077792794 /nfs/dbraw/zinc/79/27/94/1077792794.db2.gz BNTNLOUHEUEULQ-UHFFFAOYSA-N 1 2 413.865 2.639 20 0 HFADLO CS(=O)(=O)N(CC[NH+]1CCC(O)(c2c(F)cccc2F)CC1)Cc1ccccc1 ZINC000792296294 1077794014 /nfs/dbraw/zinc/79/40/14/1077794014.db2.gz ZHIKUTJZACFDIU-UHFFFAOYSA-N 1 2 424.513 2.710 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000792491706 1077865311 /nfs/dbraw/zinc/86/53/11/1077865311.db2.gz MLLDKGFCJYGUFL-QFBILLFUSA-N 1 2 423.529 2.613 20 0 HFADLO C[N@@H+]1CCN(C(=O)c2cccc3c2OCC3(C)C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000789978953 1077881238 /nfs/dbraw/zinc/88/12/38/1077881238.db2.gz HHLSKKRZUFYYSS-OAHLLOKOSA-N 1 2 403.523 2.638 20 0 HFADLO C[N@H+]1CCN(C(=O)c2cccc3c2OCC3(C)C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000789978953 1077881247 /nfs/dbraw/zinc/88/12/47/1077881247.db2.gz HHLSKKRZUFYYSS-OAHLLOKOSA-N 1 2 403.523 2.638 20 0 HFADLO COc1ccccc1S(=O)(=O)CCC[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC001170216585 1077909519 /nfs/dbraw/zinc/90/95/19/1077909519.db2.gz NFAPPDAZCCZICN-QFIPXVFZSA-N 1 2 419.543 2.513 20 0 HFADLO COc1ccccc1S(=O)(=O)CCC[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC001170216585 1077909520 /nfs/dbraw/zinc/90/95/20/1077909520.db2.gz NFAPPDAZCCZICN-QFIPXVFZSA-N 1 2 419.543 2.513 20 0 HFADLO COc1ccc(CCS(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000790044745 1077909675 /nfs/dbraw/zinc/90/96/75/1077909675.db2.gz YGHFKUTUWLYUQO-UXHICEINSA-N 1 2 410.486 2.881 20 0 HFADLO COc1ccc(CCS(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000790044745 1077909676 /nfs/dbraw/zinc/90/96/76/1077909676.db2.gz YGHFKUTUWLYUQO-UXHICEINSA-N 1 2 410.486 2.881 20 0 HFADLO Nc1[nH+]ccc2c1CN(C(=O)c1cn(Cc3ccc(Cl)cc3Cl)nn1)CC2 ZINC001170268795 1077923235 /nfs/dbraw/zinc/92/32/35/1077923235.db2.gz PDTMRZAMDZJSNO-UHFFFAOYSA-N 1 2 403.273 2.809 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000790130690 1077952060 /nfs/dbraw/zinc/95/20/60/1077952060.db2.gz BWAUWQWWXYXXIR-JTSKRJEESA-N 1 2 405.539 2.606 20 0 HFADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000790132632 1077952693 /nfs/dbraw/zinc/95/26/93/1077952693.db2.gz PQUATYPIMPJVQU-ICSRJNTNSA-N 1 2 405.539 2.507 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC000790133269 1077953105 /nfs/dbraw/zinc/95/31/05/1077953105.db2.gz UDKXNBYCXSHNQB-MRXNPFEDSA-N 1 2 403.523 2.777 20 0 HFADLO O=C(C=CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc2n[nH]cc2c1 ZINC000790159761 1077961957 /nfs/dbraw/zinc/96/19/57/1077961957.db2.gz KDTMBSIYMWELNP-VOTSOKGWSA-N 1 2 418.501 2.997 20 0 HFADLO O=C(COc1ccc2cc(Br)ccc2c1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001170129230 1077965028 /nfs/dbraw/zinc/96/50/28/1077965028.db2.gz INFYJYWDUDJLFS-GOSISDBHSA-N 1 2 415.291 2.877 20 0 HFADLO O=C1[C@@H]([N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)CCCN1Cc1ccccc1 ZINC000790288014 1077986021 /nfs/dbraw/zinc/98/60/21/1077986021.db2.gz XRSLQQGXIJRKFT-DEOSSOPVSA-N 1 2 418.541 2.917 20 0 HFADLO O=C1[C@@H]([N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)CCCN1Cc1ccccc1 ZINC000790288014 1077986024 /nfs/dbraw/zinc/98/60/24/1077986024.db2.gz XRSLQQGXIJRKFT-DEOSSOPVSA-N 1 2 418.541 2.917 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792765267 1077988530 /nfs/dbraw/zinc/98/85/30/1077988530.db2.gz KZTNIRLLCXZQQR-WMQCIHAUSA-N 1 2 409.596 2.679 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792765267 1077988532 /nfs/dbraw/zinc/98/85/32/1077988532.db2.gz KZTNIRLLCXZQQR-WMQCIHAUSA-N 1 2 409.596 2.679 20 0 HFADLO C[C@@H]1COCCC[N@@H+]1CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000772821577 1077990236 /nfs/dbraw/zinc/99/02/36/1077990236.db2.gz BRFJITAAOIYBQC-LJQANCHMSA-N 1 2 407.514 2.831 20 0 HFADLO C[C@@H]1COCCC[N@H+]1CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000772821577 1077990240 /nfs/dbraw/zinc/99/02/40/1077990240.db2.gz BRFJITAAOIYBQC-LJQANCHMSA-N 1 2 407.514 2.831 20 0 HFADLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCOC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000792770147 1077997385 /nfs/dbraw/zinc/99/73/85/1077997385.db2.gz PVJLFIHWACTGJG-CCKFTAQKSA-N 1 2 402.507 2.835 20 0 HFADLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCOC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000792770147 1077997387 /nfs/dbraw/zinc/99/73/87/1077997387.db2.gz PVJLFIHWACTGJG-CCKFTAQKSA-N 1 2 402.507 2.835 20 0 HFADLO C[C@]1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCN(C(=O)OCc2ccccc2)C1 ZINC000792779117 1077999153 /nfs/dbraw/zinc/99/91/53/1077999153.db2.gz BPWPZEQSCHOLDU-QHCPKHFHSA-N 1 2 408.502 2.779 20 0 HFADLO CN(c1ccc(OC(=O)CCc2c[nH+]cn2C)cc1)S(=O)(=O)c1ccccc1F ZINC000792865845 1078011642 /nfs/dbraw/zinc/01/16/42/1078011642.db2.gz DUEDKTPYCJYKKS-UHFFFAOYSA-N 1 2 417.462 2.923 20 0 HFADLO Cc1sc2ncn(NC(=O)Cn3c(C)[nH+]c4cc(F)c(F)cc43)c(=O)c2c1C ZINC000792872305 1078012122 /nfs/dbraw/zinc/01/21/22/1078012122.db2.gz NWNVTHSREJSRHQ-UHFFFAOYSA-N 1 2 403.414 2.781 20 0 HFADLO COc1ccc(-c2cc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)c3ccccc3n2)cc1 ZINC000746905003 1078013187 /nfs/dbraw/zinc/01/31/87/1078013187.db2.gz BWEUVRCFWAJMJJ-SFHVURJKSA-N 1 2 402.498 2.640 20 0 HFADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000792897927 1078019145 /nfs/dbraw/zinc/01/91/45/1078019145.db2.gz WUDFKUBUMIVODS-SFHVURJKSA-N 1 2 412.914 2.821 20 0 HFADLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C2 ZINC000792897927 1078019151 /nfs/dbraw/zinc/01/91/51/1078019151.db2.gz WUDFKUBUMIVODS-SFHVURJKSA-N 1 2 412.914 2.821 20 0 HFADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000792903144 1078019940 /nfs/dbraw/zinc/01/99/40/1078019940.db2.gz JMGVBGAKWFEKQP-QAPCUYQASA-N 1 2 414.333 2.608 20 0 HFADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000792903144 1078019947 /nfs/dbraw/zinc/01/99/47/1078019947.db2.gz JMGVBGAKWFEKQP-QAPCUYQASA-N 1 2 414.333 2.608 20 0 HFADLO O=C1NCCc2ccc(S(=O)(=O)Oc3ccc(-c4[nH+]cc5n4CCCC5)cc3)cc21 ZINC000790422891 1078022733 /nfs/dbraw/zinc/02/27/33/1078022733.db2.gz JPGDGNRGRKUPQG-UHFFFAOYSA-N 1 2 423.494 2.940 20 0 HFADLO O=C(C[NH2+]Cc1c(F)ccc(I)c1F)NCc1ccccc1 ZINC000792944284 1078022944 /nfs/dbraw/zinc/02/29/44/1078022944.db2.gz CHZPADGYQQLUSQ-UHFFFAOYSA-N 1 2 416.209 2.975 20 0 HFADLO C[C@]12CC[N@H+](CC(=O)N(CCC(N)=O)c3ccc(F)cc3)C[C@H]1C2(Cl)Cl ZINC000792910753 1078023755 /nfs/dbraw/zinc/02/37/55/1078023755.db2.gz WCCHENQJYXDXRN-PBHICJAKSA-N 1 2 402.297 2.550 20 0 HFADLO C[C@]12CC[N@@H+](CC(=O)N(CCC(N)=O)c3ccc(F)cc3)C[C@H]1C2(Cl)Cl ZINC000792910753 1078023760 /nfs/dbraw/zinc/02/37/60/1078023760.db2.gz WCCHENQJYXDXRN-PBHICJAKSA-N 1 2 402.297 2.550 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H](O)COc1ccccc1F)C(=O)OC(C)(C)C ZINC000792919975 1078025989 /nfs/dbraw/zinc/02/59/89/1078025989.db2.gz SZNJWAZTBQUKBP-HRCADAONSA-N 1 2 400.466 2.845 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H](O)COc1ccccc1F)C(=O)OC(C)(C)C ZINC000792919975 1078025994 /nfs/dbraw/zinc/02/59/94/1078025994.db2.gz SZNJWAZTBQUKBP-HRCADAONSA-N 1 2 400.466 2.845 20 0 HFADLO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000792929123 1078027661 /nfs/dbraw/zinc/02/76/61/1078027661.db2.gz WFBQWTZSJRNTIU-UHFFFAOYSA-N 1 2 401.536 2.575 20 0 HFADLO COCC1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCN(C(=O)OC(C)(C)C)CC1 ZINC000792993942 1078043477 /nfs/dbraw/zinc/04/34/77/1078043477.db2.gz AQYIWAYONQHSND-UHFFFAOYSA-N 1 2 420.554 2.542 20 0 HFADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)c1C ZINC000806300184 1079550866 /nfs/dbraw/zinc/55/08/66/1079550866.db2.gz IYTFQJHFURYHBD-QGZVFWFLSA-N 1 2 413.522 2.637 20 0 HFADLO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000806303412 1079556860 /nfs/dbraw/zinc/55/68/60/1079556860.db2.gz NNZNZOVBVTXHHW-MOPGFXCFSA-N 1 2 424.586 2.530 20 0 HFADLO Cc1ccccc1CNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806313249 1079565797 /nfs/dbraw/zinc/56/57/97/1079565797.db2.gz LMBGXFXDODUAPV-IBGZPJMESA-N 1 2 402.539 2.832 20 0 HFADLO Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806313193 1079565938 /nfs/dbraw/zinc/56/59/38/1079565938.db2.gz JKRHQTLFVZOWGY-IBGZPJMESA-N 1 2 402.539 2.832 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccc4c(c3)COC4)C2)CC1 ZINC000806382459 1079632422 /nfs/dbraw/zinc/63/24/22/1079632422.db2.gz LQYGHNZSEBAYOT-LJQANCHMSA-N 1 2 416.522 2.876 20 0 HFADLO CCCc1cc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n(C)n1 ZINC000806386009 1079635145 /nfs/dbraw/zinc/63/51/45/1079635145.db2.gz SAZCIYPRTSHUQY-QGZVFWFLSA-N 1 2 420.558 2.532 20 0 HFADLO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)Nc2ccc(C)[nH+]c2N(C)C)s1 ZINC000806360745 1079648477 /nfs/dbraw/zinc/64/84/77/1079648477.db2.gz JPACSSMHQPNLBU-VXGBXAGGSA-N 1 2 405.528 2.655 20 0 HFADLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c(C)c1 ZINC001170507141 1079648497 /nfs/dbraw/zinc/64/84/97/1079648497.db2.gz NRDUVAOZAYHKHF-IBGZPJMESA-N 1 2 417.937 2.985 20 0 HFADLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c(C)c1 ZINC001170507141 1079648501 /nfs/dbraw/zinc/64/85/01/1079648501.db2.gz NRDUVAOZAYHKHF-IBGZPJMESA-N 1 2 417.937 2.985 20 0 HFADLO CC(=O)NCc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000021870680 1079673210 /nfs/dbraw/zinc/67/32/10/1079673210.db2.gz QFSZODUEJZARKU-UHFFFAOYSA-N 1 2 421.588 2.589 20 0 HFADLO CC(=O)NCc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000021870680 1079673220 /nfs/dbraw/zinc/67/32/20/1079673220.db2.gz QFSZODUEJZARKU-UHFFFAOYSA-N 1 2 421.588 2.589 20 0 HFADLO CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000806430214 1079674609 /nfs/dbraw/zinc/67/46/09/1079674609.db2.gz JAEQSWKZCUJIFQ-SFHVURJKSA-N 1 2 405.543 2.804 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3cccc4c3OCO4)C2)CC1 ZINC000806403645 1079692098 /nfs/dbraw/zinc/69/20/98/1079692098.db2.gz LCBAUUAEYJXHHA-HNNXBMFYSA-N 1 2 418.494 2.574 20 0 HFADLO CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001130633775 1079719453 /nfs/dbraw/zinc/71/94/53/1079719453.db2.gz YMLUWMBNGAIRCB-QGZVFWFLSA-N 1 2 416.522 2.860 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CCC[N@H+](Cc4ccc(F)cc4Cl)C3)ccnc1-2 ZINC000806487658 1079774131 /nfs/dbraw/zinc/77/41/31/1079774131.db2.gz CEVCCNVNECZANA-OAHLLOKOSA-N 1 2 416.888 2.920 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4Cl)C3)ccnc1-2 ZINC000806487658 1079774134 /nfs/dbraw/zinc/77/41/34/1079774134.db2.gz CEVCCNVNECZANA-OAHLLOKOSA-N 1 2 416.888 2.920 20 0 HFADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCC[C@@H]3c3cccc(N(C)C)c3)[nH+]c12 ZINC000806536283 1079808895 /nfs/dbraw/zinc/80/88/95/1079808895.db2.gz JSJCDWVGQMAYQR-OAQYLSRUSA-N 1 2 419.529 2.731 20 0 HFADLO Cc1cccn2cc(CCNC(=O)C(=O)N[C@H](C)c3nc4ccccc4s3)[nH+]c12 ZINC000806537341 1079809535 /nfs/dbraw/zinc/80/95/35/1079809535.db2.gz KEBFBFKZJIHSJO-CQSZACIVSA-N 1 2 407.499 2.789 20 0 HFADLO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001130668038 1079818715 /nfs/dbraw/zinc/81/87/15/1079818715.db2.gz AYZPXFRTURIARI-GNBUJSLZSA-N 1 2 404.576 2.711 20 0 HFADLO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC001130668038 1079818721 /nfs/dbraw/zinc/81/87/21/1079818721.db2.gz AYZPXFRTURIARI-GNBUJSLZSA-N 1 2 404.576 2.711 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)NCc2ccncc2OC[C@H]2CCOC2)c1C ZINC000806642252 1079899026 /nfs/dbraw/zinc/89/90/26/1079899026.db2.gz ZXXXVUSSWKPXSH-INIZCTEOSA-N 1 2 400.479 2.517 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000806668526 1079929197 /nfs/dbraw/zinc/92/91/97/1079929197.db2.gz OCHNDKQKONHDHU-MSOLQXFVSA-N 1 2 424.586 2.719 20 0 HFADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000806753662 1079968790 /nfs/dbraw/zinc/96/87/90/1079968790.db2.gz XHNLFPSNUVFETG-NFBKMPQASA-N 1 2 410.562 2.568 20 0 HFADLO C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000806778152 1079995395 /nfs/dbraw/zinc/99/53/95/1079995395.db2.gz ZHUGRRZVSADMTN-PXNSSMCTSA-N 1 2 407.580 2.678 20 0 HFADLO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccc(O)c1 ZINC000806792953 1080013661 /nfs/dbraw/zinc/01/36/61/1080013661.db2.gz HGYVESDSCRYIOS-SJLPKXTDSA-N 1 2 418.538 2.790 20 0 HFADLO C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1cccc(O)c1 ZINC000806794446 1080014432 /nfs/dbraw/zinc/01/44/32/1080014432.db2.gz QZAIJMRZKQTXGQ-AEFFLSMTSA-N 1 2 418.538 2.790 20 0 HFADLO Cc1noc(C)c1[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806807641 1080022723 /nfs/dbraw/zinc/02/27/23/1080022723.db2.gz QEIGXVXTZXQKNN-WMLDXEAASA-N 1 2 421.542 2.689 20 0 HFADLO CCSCC[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806888175 1080085604 /nfs/dbraw/zinc/08/56/04/1080085604.db2.gz JZQSQDMDJPNMAR-DLBZAZTESA-N 1 2 414.616 2.855 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CCCC[C@H]3COC(=O)NC(C)C)[nH+]c12 ZINC000806898747 1080104993 /nfs/dbraw/zinc/10/49/93/1080104993.db2.gz MENYUXWZGFSMFC-SFHVURJKSA-N 1 2 401.511 2.884 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)N[C@@H]3CCCC(F)(F)C3)CC2)C1 ZINC000806992464 1080170882 /nfs/dbraw/zinc/17/08/82/1080170882.db2.gz GRXSARKNWQNUGC-CVEARBPZSA-N 1 2 416.513 2.901 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CC4CCC3CC4)C2)CC1 ZINC000806992034 1080171448 /nfs/dbraw/zinc/17/14/48/1080171448.db2.gz ZZNWXQMQDAOMFL-WZOJCFFYSA-N 1 2 406.571 2.902 20 0 HFADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807045941 1080202880 /nfs/dbraw/zinc/20/28/80/1080202880.db2.gz KJBVINVADHSDPQ-ZYSHUDEJSA-N 1 2 424.492 2.972 20 0 HFADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807045941 1080202883 /nfs/dbraw/zinc/20/28/83/1080202883.db2.gz KJBVINVADHSDPQ-ZYSHUDEJSA-N 1 2 424.492 2.972 20 0 HFADLO C[N@@H+]1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000807088449 1080266044 /nfs/dbraw/zinc/26/60/44/1080266044.db2.gz BKOONVXXJVXQOC-PKTZIBPZSA-N 1 2 421.541 2.786 20 0 HFADLO C[N@H+]1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000807088449 1080266055 /nfs/dbraw/zinc/26/60/55/1080266055.db2.gz BKOONVXXJVXQOC-PKTZIBPZSA-N 1 2 421.541 2.786 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@H]3CCCCS3)CC2)C1 ZINC000807096385 1080275267 /nfs/dbraw/zinc/27/52/67/1080275267.db2.gz GJNRCTXKLGOIQU-DLBZAZTESA-N 1 2 412.600 2.609 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000807104635 1080283386 /nfs/dbraw/zinc/28/33/86/1080283386.db2.gz JNRKHVAVZQAIES-KGVIQGDOSA-N 1 2 424.586 2.528 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000807161134 1080317422 /nfs/dbraw/zinc/31/74/22/1080317422.db2.gz DFNHLRXQHKUUBB-INIZCTEOSA-N 1 2 408.930 2.618 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000807161134 1080317428 /nfs/dbraw/zinc/31/74/28/1080317428.db2.gz DFNHLRXQHKUUBB-INIZCTEOSA-N 1 2 408.930 2.618 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccccc1Cc1ccccc1 ZINC000807281032 1080439373 /nfs/dbraw/zinc/43/93/73/1080439373.db2.gz QDLCLZIFCGVYMH-PXNSSMCTSA-N 1 2 407.470 2.599 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Cl)c(C)cc1Br ZINC000807281190 1080440048 /nfs/dbraw/zinc/44/00/48/1080440048.db2.gz RMIKQWYIAUVBFU-CYBMUJFWSA-N 1 2 400.660 2.579 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000807281787 1080441001 /nfs/dbraw/zinc/44/10/01/1080441001.db2.gz WJBDMVKPRCRNKA-LBPRGKRZSA-N 1 2 420.185 2.636 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000807282259 1080441007 /nfs/dbraw/zinc/44/10/07/1080441007.db2.gz HNUUZACGEFMZEJ-HXUWFJFHSA-N 1 2 405.454 2.871 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC000807283492 1080443806 /nfs/dbraw/zinc/44/38/06/1080443806.db2.gz INRNLTZUVFVAGD-MRXNPFEDSA-N 1 2 402.451 2.510 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C ZINC000807284744 1080445146 /nfs/dbraw/zinc/44/51/46/1080445146.db2.gz UAHYTEKTFRXEQB-CQSZACIVSA-N 1 2 406.414 2.565 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC000807284367 1080445546 /nfs/dbraw/zinc/44/55/46/1080445546.db2.gz LYWVDNGIPKXUCZ-HNNXBMFYSA-N 1 2 422.272 2.656 20 0 HFADLO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(=O)OC)cc1 ZINC000807285348 1080448352 /nfs/dbraw/zinc/44/83/52/1080448352.db2.gz YXFLUOCSIQBBGN-OAQYLSRUSA-N 1 2 406.486 2.881 20 0 HFADLO CC[C@@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)c1ccc(OC)c(OC)c1 ZINC000807312811 1080506069 /nfs/dbraw/zinc/50/60/69/1080506069.db2.gz TVKVWLUBUSMEDZ-OAHLLOKOSA-N 1 2 400.479 2.679 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000807518858 1080772196 /nfs/dbraw/zinc/77/21/96/1080772196.db2.gz NNJUYUDSIAMJGW-UHFFFAOYSA-N 1 2 401.457 2.624 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000807518858 1080772203 /nfs/dbraw/zinc/77/22/03/1080772203.db2.gz NNJUYUDSIAMJGW-UHFFFAOYSA-N 1 2 401.457 2.624 20 0 HFADLO COC[C@]1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554219 1080803866 /nfs/dbraw/zinc/80/38/66/1080803866.db2.gz RYBYQPMUHKBHHV-HRAATJIYSA-N 1 2 421.542 2.715 20 0 HFADLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)C[C@H]1c1ccc(O)cc1 ZINC001170527598 1080812317 /nfs/dbraw/zinc/81/23/17/1080812317.db2.gz LMSZWBBIXKIHDF-VBNZEHGJSA-N 1 2 404.413 2.886 20 0 HFADLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)C[C@H]1c1ccc(O)cc1 ZINC001170527598 1080812326 /nfs/dbraw/zinc/81/23/26/1080812326.db2.gz LMSZWBBIXKIHDF-VBNZEHGJSA-N 1 2 404.413 2.886 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000807558770 1080812939 /nfs/dbraw/zinc/81/29/39/1080812939.db2.gz GXEUYIMNEOYZAR-HNNXBMFYSA-N 1 2 415.925 2.599 20 0 HFADLO Cc1cc2cc(CNC(=O)N3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)ccc2[nH]1 ZINC000807561074 1080816332 /nfs/dbraw/zinc/81/63/32/1080816332.db2.gz VITQPJVKQGRORO-GOSISDBHSA-N 1 2 415.538 2.827 20 0 HFADLO Cc1cc2cc(CNC(=O)N3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)ccc2[nH]1 ZINC000807561074 1080816334 /nfs/dbraw/zinc/81/63/34/1080816334.db2.gz VITQPJVKQGRORO-GOSISDBHSA-N 1 2 415.538 2.827 20 0 HFADLO CCOC(=O)c1c(C)onc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001171948816 1126148629 /nfs/dbraw/zinc/14/86/29/1126148629.db2.gz DKHOJVUDAILTMS-LJQANCHMSA-N 1 2 423.307 2.932 20 0 HFADLO O=C(c1cccnc1N1CC[C@H]2COC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164388519 718818250 /nfs/dbraw/zinc/81/82/50/718818250.db2.gz OVBDDPQUTLVBII-LEWJYISDSA-N 1 2 406.530 2.512 20 0 HFADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC001164636302 719225379 /nfs/dbraw/zinc/22/53/79/719225379.db2.gz JRGFMXJPMVIBQA-HOTGVXAUSA-N 1 2 404.536 2.810 20 0 HFADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC001164636302 719225385 /nfs/dbraw/zinc/22/53/85/719225385.db2.gz JRGFMXJPMVIBQA-HOTGVXAUSA-N 1 2 404.536 2.810 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccccc4cc3Cl)CC2)C1=O ZINC001164633531 719272819 /nfs/dbraw/zinc/27/28/19/719272819.db2.gz GFSNTRGMWBDRBB-UHFFFAOYSA-N 1 2 402.926 2.648 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccccc4cc3Cl)CC2)C1=O ZINC001164633531 719272824 /nfs/dbraw/zinc/27/28/24/719272824.db2.gz GFSNTRGMWBDRBB-UHFFFAOYSA-N 1 2 402.926 2.648 20 0 HFADLO CN(C)c1cc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc(Cl)n1 ZINC001164676999 719566758 /nfs/dbraw/zinc/56/67/58/719566758.db2.gz UOZNDOXOXJCWMO-UHFFFAOYSA-N 1 2 409.828 2.536 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Oc2ccccc2)ncn1 ZINC001164705805 719844878 /nfs/dbraw/zinc/84/48/78/719844878.db2.gz VUITWIDPLFKWAM-HTAPYJJXSA-N 1 2 412.490 2.502 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2cccc(Cl)c2n1 ZINC001164699396 719845683 /nfs/dbraw/zinc/84/56/83/719845683.db2.gz IGWHPVQFWJCMJZ-VBKZILBWSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2cccc(Cl)c2n1 ZINC001164699395 719845790 /nfs/dbraw/zinc/84/57/90/719845790.db2.gz IGWHPVQFWJCMJZ-JLTOFOAXSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccsc21 ZINC001164703878 719846400 /nfs/dbraw/zinc/84/64/00/719846400.db2.gz QWQWNPZTIGKFHP-XIKOKIGWSA-N 1 2 410.927 2.577 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2ccc(Cl)cc2n1 ZINC001164705583 719851926 /nfs/dbraw/zinc/85/19/26/719851926.db2.gz UKQWUBYUNYQCRQ-QRWLVFNGSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2ccc(F)cc2)n1 ZINC001164700491 719852434 /nfs/dbraw/zinc/85/24/34/719852434.db2.gz HMSAJCFPQBMQNK-PGRDOPGGSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccsc2)n1 ZINC001164708005 719872506 /nfs/dbraw/zinc/87/25/06/719872506.db2.gz XFCQSOUAAAZWSP-LAUBAEHRSA-N 1 2 416.547 2.746 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(C)C)nc(Cl)c1C ZINC001164708431 719876882 /nfs/dbraw/zinc/87/68/82/719876882.db2.gz ZDYXVCPLDMNNDB-QRWLVFNGSA-N 1 2 410.946 2.795 20 0 HFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3ccccc3cc1Cl)CC2 ZINC001164708743 719902714 /nfs/dbraw/zinc/90/27/14/719902714.db2.gz JXTXFWSWUYOBQR-UHFFFAOYSA-N 1 2 424.936 2.572 20 0 HFADLO Cc1ccc(Cl)nc1C(F)(F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001164857751 720895838 /nfs/dbraw/zinc/89/58/38/720895838.db2.gz JLRNNBUZMHUGFK-UHFFFAOYSA-N 1 2 420.851 2.800 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(OCc3ccccc3)cnn1)C2 ZINC001165011745 721707433 /nfs/dbraw/zinc/70/74/33/721707433.db2.gz XTROATBGWAXMKU-UHFFFAOYSA-N 1 2 407.522 2.898 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(OCc3ccccc3)cnn1)C2 ZINC001165011745 721707434 /nfs/dbraw/zinc/70/74/34/721707434.db2.gz XTROATBGWAXMKU-UHFFFAOYSA-N 1 2 407.522 2.898 20 0 HFADLO COC(=O)c1cc(Cl)c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1C ZINC001165012045 721719199 /nfs/dbraw/zinc/71/91/99/721719199.db2.gz ZRVOYSBVSILLKQ-UHFFFAOYSA-N 1 2 406.918 2.672 20 0 HFADLO COC(=O)c1cc(Cl)c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1C ZINC001165012045 721719203 /nfs/dbraw/zinc/71/92/03/721719203.db2.gz ZRVOYSBVSILLKQ-UHFFFAOYSA-N 1 2 406.918 2.672 20 0 HFADLO FC(F)(c1ccc(Cl)nc1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912254 721766559 /nfs/dbraw/zinc/76/65/59/721766559.db2.gz WJMJTKLEYLPHKU-IBGZPJMESA-N 1 2 424.879 2.783 20 0 HFADLO FC(F)(c1ccc(Cl)nc1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912254 721766564 /nfs/dbraw/zinc/76/65/64/721766564.db2.gz WJMJTKLEYLPHKU-IBGZPJMESA-N 1 2 424.879 2.783 20 0 HFADLO Cc1cc(Cl)c(C)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916325 721786008 /nfs/dbraw/zinc/78/60/08/721786008.db2.gz PVGMNGUJQOFXJT-OAQYLSRUSA-N 1 2 402.926 2.855 20 0 HFADLO Cc1cc(Cl)c(C)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916325 721786012 /nfs/dbraw/zinc/78/60/12/721786012.db2.gz PVGMNGUJQOFXJT-OAQYLSRUSA-N 1 2 402.926 2.855 20 0 HFADLO COc1cc(OC)c2ncnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)c2c1 ZINC001164918994 721821727 /nfs/dbraw/zinc/82/17/27/721821727.db2.gz JQMPKZDCSHMHBL-UHFFFAOYSA-N 1 2 408.506 2.593 20 0 HFADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165040117 721903736 /nfs/dbraw/zinc/90/37/36/721903736.db2.gz YURCLAKUXVDYJR-CQSZACIVSA-N 1 2 401.889 2.576 20 0 HFADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054221 722011554 /nfs/dbraw/zinc/01/15/54/722011554.db2.gz SIICXNBSBKEMHY-UHFFFAOYSA-N 1 2 410.852 2.826 20 0 HFADLO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(NC5CC5)c(C)c[nH+]4)CC[C@H]32)cs1 ZINC001164986721 722173722 /nfs/dbraw/zinc/17/37/22/722173722.db2.gz LEDOZJBYTKYHQT-RTBURBONSA-N 1 2 414.579 2.994 20 0 HFADLO O=C1CN(/C=C\c2ccccc2)C(=O)N1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000790465762 1078044791 /nfs/dbraw/zinc/04/47/91/1078044791.db2.gz MLOSNMUBYOQLPO-JYRVWZFOSA-N 1 2 410.449 2.957 20 0 HFADLO CC(C)[C@@H]1C[C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c2ccccc21 ZINC000790509311 1078047909 /nfs/dbraw/zinc/04/79/09/1078047909.db2.gz QGAKWTIRNKWUJA-UWJYYQICSA-N 1 2 421.607 2.722 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(NC(=O)OC)cc2)[C@@H]1c1c[nH+]cn1C ZINC000793105654 1078079112 /nfs/dbraw/zinc/07/91/12/1078079112.db2.gz YTEFSPJSIXAGFM-VQIMIIECSA-N 1 2 413.478 2.927 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC000793251735 1078110704 /nfs/dbraw/zinc/11/07/04/1078110704.db2.gz WBIAISQABTZVQQ-UHFFFAOYSA-N 1 2 401.850 2.714 20 0 HFADLO C[C@@H](NS(=O)(=O)C1=Cc2ccccc2OCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000772834588 1078177764 /nfs/dbraw/zinc/17/77/64/1078177764.db2.gz JPWRDZAOUDNUGG-QGZVFWFLSA-N 1 2 406.548 2.763 20 0 HFADLO CCOC(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)CC1 ZINC000790863038 1078180444 /nfs/dbraw/zinc/18/04/44/1078180444.db2.gz USJWRJBYJFXJNX-UHFFFAOYSA-N 1 2 403.523 2.598 20 0 HFADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H](F)CC1CCCCC1 ZINC000793497764 1078203343 /nfs/dbraw/zinc/20/33/43/1078203343.db2.gz KOFOSGWBRBVUPJ-OALUTQOASA-N 1 2 419.545 2.707 20 0 HFADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H](F)CC1CCCCC1 ZINC000793497764 1078203346 /nfs/dbraw/zinc/20/33/46/1078203346.db2.gz KOFOSGWBRBVUPJ-OALUTQOASA-N 1 2 419.545 2.707 20 0 HFADLO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CN2C(=O)N[C@@]3(C2=O)[C@H](C)CCC[C@@H]3C)C1 ZINC000793597419 1078219858 /nfs/dbraw/zinc/21/98/58/1078219858.db2.gz KTVTXQYCPDLAGV-VQDLLJBESA-N 1 2 413.518 2.507 20 0 HFADLO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CN2C(=O)N[C@@]3(C2=O)[C@H](C)CCC[C@@H]3C)C1 ZINC000793597419 1078219859 /nfs/dbraw/zinc/21/98/59/1078219859.db2.gz KTVTXQYCPDLAGV-VQDLLJBESA-N 1 2 413.518 2.507 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CN3C(=O)NC4(CCCCC4)C3=O)CC[C@H]21 ZINC000793712756 1078261473 /nfs/dbraw/zinc/26/14/73/1078261473.db2.gz YQZKQMUSNOWSKF-JKSUJKDBSA-N 1 2 406.527 2.530 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CN3C(=O)NC4(CCCCC4)C3=O)CC[C@H]21 ZINC000793712756 1078261478 /nfs/dbraw/zinc/26/14/78/1078261478.db2.gz YQZKQMUSNOWSKF-JKSUJKDBSA-N 1 2 406.527 2.530 20 0 HFADLO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3ccccc3-n3cc[nH+]c3)C2)cc1 ZINC000793715977 1078263211 /nfs/dbraw/zinc/26/32/11/1078263211.db2.gz BJNVISHPIQSNOW-HXUWFJFHSA-N 1 2 417.513 2.582 20 0 HFADLO C[C@@H](NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)c1nc2ccccc2s1 ZINC000793720853 1078265523 /nfs/dbraw/zinc/26/55/23/1078265523.db2.gz UWCTWGLTBZDYGL-CQSZACIVSA-N 1 2 405.483 2.976 20 0 HFADLO C[C@@]1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793721947 1078265756 /nfs/dbraw/zinc/26/57/56/1078265756.db2.gz OFIAVJJSDYRQSK-WMZHIEFXSA-N 1 2 408.502 2.825 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000793748652 1078290015 /nfs/dbraw/zinc/29/00/15/1078290015.db2.gz FTIRPQSBWVAZKW-GOSISDBHSA-N 1 2 412.440 2.930 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NCc2ccc(C(C)(C)O)cc2)[C@@H]1c1c[nH+]cn1C ZINC000793845057 1078312986 /nfs/dbraw/zinc/31/29/86/1078312986.db2.gz UJEGSWGXBGBVOL-WIYYLYMNSA-N 1 2 412.534 2.654 20 0 HFADLO Cc1cccc(C)c1OC[C@H](C)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000793828186 1078319192 /nfs/dbraw/zinc/31/91/92/1078319192.db2.gz LEUBHCVVJUCHEM-SFHVURJKSA-N 1 2 406.486 2.689 20 0 HFADLO Cc1cccc(C)c1OC[C@@H](C)NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000793828185 1078319199 /nfs/dbraw/zinc/31/91/99/1078319199.db2.gz LEUBHCVVJUCHEM-GOSISDBHSA-N 1 2 406.486 2.689 20 0 HFADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000793942926 1078353676 /nfs/dbraw/zinc/35/36/76/1078353676.db2.gz JVDYGZSSPCLQIO-UHFFFAOYSA-N 1 2 406.328 2.506 20 0 HFADLO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000793984807 1078356748 /nfs/dbraw/zinc/35/67/48/1078356748.db2.gz YIOSBDSIOJNTBO-IBGZPJMESA-N 1 2 407.942 2.996 20 0 HFADLO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000793984807 1078356752 /nfs/dbraw/zinc/35/67/52/1078356752.db2.gz YIOSBDSIOJNTBO-IBGZPJMESA-N 1 2 407.942 2.996 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)cc1F ZINC000794024605 1078363127 /nfs/dbraw/zinc/36/31/27/1078363127.db2.gz AMKHKRARCJPCLY-UHFFFAOYSA-N 1 2 422.478 2.554 20 0 HFADLO C[C@]1(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCN(C(=O)OCc2ccccc2)C1 ZINC000794221779 1078386215 /nfs/dbraw/zinc/38/62/15/1078386215.db2.gz GTPKJRRUKFOSAO-QFIPXVFZSA-N 1 2 405.458 2.798 20 0 HFADLO O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N(CCO)Cc1cccnc1Cl ZINC000794332695 1078416697 /nfs/dbraw/zinc/41/66/97/1078416697.db2.gz MDSHUYFOADVIIR-GOSISDBHSA-N 1 2 405.951 2.846 20 0 HFADLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCCC[C@@H]3C3OCCO3)n2)CC1 ZINC000794356277 1078424032 /nfs/dbraw/zinc/42/40/32/1078424032.db2.gz YLJPGUFMNTTWNM-QGZVFWFLSA-N 1 2 408.568 2.541 20 0 HFADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804438677 1078476422 /nfs/dbraw/zinc/47/64/22/1078476422.db2.gz QYWLZOCSEAZLOO-JBACZVJFSA-N 1 2 417.550 2.649 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C ZINC000804436985 1078481095 /nfs/dbraw/zinc/48/10/95/1078481095.db2.gz UXBWUHDRAGUZFV-CXQPBAHBSA-N 1 2 421.582 2.876 20 0 HFADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCCC[C@@H]3COC(=O)N(C)C)cn2c1 ZINC000804657822 1078492733 /nfs/dbraw/zinc/49/27/33/1078492733.db2.gz UWAXRKUZWJCEIL-QGZVFWFLSA-N 1 2 404.536 2.955 20 0 HFADLO CC[NH+]1CCN(Cc2ccc(NC(=O)CSc3n[nH]c(=S)s3)cc2)CC1 ZINC000747207787 1078512342 /nfs/dbraw/zinc/51/23/42/1078512342.db2.gz PJAOSDSEUZVWKQ-UHFFFAOYSA-N 1 2 409.606 2.695 20 0 HFADLO CCN1CC[NH+](Cc2ccc(CNC(=O)c3c(C)nc(C(C)C)[nH]c3=O)cc2)CC1 ZINC000747207885 1078512695 /nfs/dbraw/zinc/51/26/95/1078512695.db2.gz QLPWPYCZZIRCGX-UHFFFAOYSA-N 1 2 411.550 2.682 20 0 HFADLO O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001129911765 1078581960 /nfs/dbraw/zinc/58/19/60/1078581960.db2.gz KHSUXPUNMULRAP-PBHICJAKSA-N 1 2 424.423 2.709 20 0 HFADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)N1CCC[C@@H]2COC[C@@H]21)Cc1ccccc1 ZINC001129592853 1078587461 /nfs/dbraw/zinc/58/74/61/1078587461.db2.gz IIKQSCOXPZIGKJ-UXHICEINSA-N 1 2 417.550 2.651 20 0 HFADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)N1CCC[C@@H]2COC[C@@H]21)Cc1ccccc1 ZINC001129592853 1078587467 /nfs/dbraw/zinc/58/74/67/1078587467.db2.gz IIKQSCOXPZIGKJ-UXHICEINSA-N 1 2 417.550 2.651 20 0 HFADLO CC(=O)c1ccc(CC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000804760139 1078610037 /nfs/dbraw/zinc/61/00/37/1078610037.db2.gz KFSUEHFNUFEFJO-FQEVSTJZSA-N 1 2 415.534 2.585 20 0 HFADLO CCN(CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccccc1 ZINC000804761198 1078611520 /nfs/dbraw/zinc/61/15/20/1078611520.db2.gz YJAWJCSTOGAESL-FQEVSTJZSA-N 1 2 416.566 2.667 20 0 HFADLO CC(=O)[C@@H](C)CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804763169 1078616441 /nfs/dbraw/zinc/61/64/41/1078616441.db2.gz MVDVLFJBEAHPAV-PKOBYXMFSA-N 1 2 409.571 2.926 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CCCc3nccs3)C2)CC1 ZINC000804764217 1078619555 /nfs/dbraw/zinc/61/95/55/1078619555.db2.gz VKGDZEGIKIGSND-MRXNPFEDSA-N 1 2 408.568 2.619 20 0 HFADLO CCS(=O)(=O)c1ccccc1C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001129680333 1078644886 /nfs/dbraw/zinc/64/48/86/1078644886.db2.gz WOHYTLPIFXEWFQ-UHFFFAOYSA-N 1 2 406.470 2.969 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)C1 ZINC000804817098 1078659226 /nfs/dbraw/zinc/65/92/26/1078659226.db2.gz OIUPXTGWPZCNNF-OAHLLOKOSA-N 1 2 424.567 2.917 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)Nc2ncc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)C1 ZINC000804817098 1078659232 /nfs/dbraw/zinc/65/92/32/1078659232.db2.gz OIUPXTGWPZCNNF-OAHLLOKOSA-N 1 2 424.567 2.917 20 0 HFADLO CC(C)OC(=O)c1cccnc1N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804835389 1078677559 /nfs/dbraw/zinc/67/75/59/1078677559.db2.gz OZSYKNVNBCFBTF-KRWDZBQOSA-N 1 2 418.538 2.778 20 0 HFADLO C[C@H](Cc1ccco1)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804909880 1078731373 /nfs/dbraw/zinc/73/13/73/1078731373.db2.gz XHYRRVHCWBKDHZ-SJORKVTESA-N 1 2 406.527 2.547 20 0 HFADLO CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001130020861 1078776930 /nfs/dbraw/zinc/77/69/30/1078776930.db2.gz AMDAGMVPVDKYJR-SFHVURJKSA-N 1 2 405.539 2.697 20 0 HFADLO CC(C)(C)OC(=O)NCCC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001130020861 1078776937 /nfs/dbraw/zinc/77/69/37/1078776937.db2.gz AMDAGMVPVDKYJR-SFHVURJKSA-N 1 2 405.539 2.697 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(Br)cc1F ZINC000805102042 1078887356 /nfs/dbraw/zinc/88/73/56/1078887356.db2.gz KCDRZUDECXGZKA-SWLSCSKDSA-N 1 2 400.292 2.593 20 0 HFADLO O=C(COC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)N1CC[NH+](Cc2cccs2)CC1 ZINC000805106692 1078890308 /nfs/dbraw/zinc/89/03/08/1078890308.db2.gz HGUANYWAJXYROP-SFHVURJKSA-N 1 2 420.918 2.593 20 0 HFADLO CC(C)c1cc(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)on1 ZINC000805115733 1078900207 /nfs/dbraw/zinc/90/02/07/1078900207.db2.gz PULMTEUOCNJSAZ-MRXNPFEDSA-N 1 2 421.542 2.635 20 0 HFADLO CC(C)N(CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000805077020 1078907709 /nfs/dbraw/zinc/90/77/09/1078907709.db2.gz GSEHLLZAORMBFR-QZTJIDSGSA-N 1 2 412.575 2.527 20 0 HFADLO Cc1cnc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC000805173031 1078958343 /nfs/dbraw/zinc/95/83/43/1078958343.db2.gz XISJBCPCKQXTNK-CVEARBPZSA-N 1 2 423.583 2.849 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3ccc(Cl)o3)C2)CC1 ZINC000805178400 1078964233 /nfs/dbraw/zinc/96/42/33/1078964233.db2.gz OESRYXHCDDGNDS-AWEZNQCLSA-N 1 2 412.918 2.770 20 0 HFADLO Cc1cc(Br)cn2cc(CCNC(=O)COCc3ccccn3)[nH+]c12 ZINC000805198226 1078971726 /nfs/dbraw/zinc/97/17/26/1078971726.db2.gz NGBNDYKSKLLGNO-UHFFFAOYSA-N 1 2 403.280 2.676 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCC34CCC(CC3)C4)C2)CC1 ZINC000805235174 1078977604 /nfs/dbraw/zinc/97/76/04/1078977604.db2.gz WXJDAJIIDOTKDU-WUZYXKQASA-N 1 2 406.571 2.903 20 0 HFADLO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000747235172 1078999857 /nfs/dbraw/zinc/99/98/57/1078999857.db2.gz KUDXIXGCRKXJLY-DLENHJPASA-N 1 2 418.515 2.971 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc1F ZINC000747235522 1079006615 /nfs/dbraw/zinc/00/66/15/1079006615.db2.gz QKIZZQAXFPDMPR-KRWDZBQOSA-N 1 2 410.467 2.711 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000805474817 1079091818 /nfs/dbraw/zinc/09/18/18/1079091818.db2.gz SOGGXKMXOBOMMK-TZIWHRDSSA-N 1 2 416.905 2.810 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000805474817 1079091820 /nfs/dbraw/zinc/09/18/20/1079091820.db2.gz SOGGXKMXOBOMMK-TZIWHRDSSA-N 1 2 416.905 2.810 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)C1 ZINC000805477219 1079092170 /nfs/dbraw/zinc/09/21/70/1079092170.db2.gz FPJNIAKGXRQTJX-FXAWDEMLSA-N 1 2 402.516 2.526 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)C1 ZINC000805477219 1079092174 /nfs/dbraw/zinc/09/21/74/1079092174.db2.gz FPJNIAKGXRQTJX-FXAWDEMLSA-N 1 2 402.516 2.526 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)C1 ZINC000805477222 1079092217 /nfs/dbraw/zinc/09/22/17/1079092217.db2.gz FPJNIAKGXRQTJX-XLIONFOSSA-N 1 2 402.516 2.526 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)C1 ZINC000805477222 1079092219 /nfs/dbraw/zinc/09/22/19/1079092219.db2.gz FPJNIAKGXRQTJX-XLIONFOSSA-N 1 2 402.516 2.526 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)C1 ZINC000805470234 1079089082 /nfs/dbraw/zinc/08/90/82/1079089082.db2.gz NONVWLHOOHXZPW-KRWDZBQOSA-N 1 2 407.467 2.731 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCc2csc(N(C(C)=O)c3ccccc3F)n2)C1 ZINC000805470234 1079089090 /nfs/dbraw/zinc/08/90/90/1079089090.db2.gz NONVWLHOOHXZPW-KRWDZBQOSA-N 1 2 407.467 2.731 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000805473403 1079089374 /nfs/dbraw/zinc/08/93/74/1079089374.db2.gz UFZZAGAEGYCKCB-CTNGQTDRSA-N 1 2 416.905 2.810 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000805473403 1079089383 /nfs/dbraw/zinc/08/93/83/1079089383.db2.gz UFZZAGAEGYCKCB-CTNGQTDRSA-N 1 2 416.905 2.810 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000805473584 1079091223 /nfs/dbraw/zinc/09/12/23/1079091223.db2.gz HYNUOCHOMPJAKT-HNAYVOBHSA-N 1 2 418.490 2.709 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000805473584 1079091229 /nfs/dbraw/zinc/09/12/29/1079091229.db2.gz HYNUOCHOMPJAKT-HNAYVOBHSA-N 1 2 418.490 2.709 20 0 HFADLO Cc1ccc(CC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c(Cl)n1 ZINC000805668660 1079211252 /nfs/dbraw/zinc/21/12/52/1079211252.db2.gz FIHMJOUIHLAEOB-UHFFFAOYSA-N 1 2 407.923 2.535 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000805775067 1079248334 /nfs/dbraw/zinc/24/83/34/1079248334.db2.gz BJHFDAQFPRMRPW-QGZVFWFLSA-N 1 2 418.538 2.754 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000805775067 1079248338 /nfs/dbraw/zinc/24/83/38/1079248338.db2.gz BJHFDAQFPRMRPW-QGZVFWFLSA-N 1 2 418.538 2.754 20 0 HFADLO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000805822687 1079292799 /nfs/dbraw/zinc/29/27/99/1079292799.db2.gz QMFXZAKMDHXWAH-HNNXBMFYSA-N 1 2 409.531 2.568 20 0 HFADLO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000805822687 1079292803 /nfs/dbraw/zinc/29/28/03/1079292803.db2.gz QMFXZAKMDHXWAH-HNNXBMFYSA-N 1 2 409.531 2.568 20 0 HFADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000747273440 1079304316 /nfs/dbraw/zinc/30/43/16/1079304316.db2.gz ATTOITOPGZXKAS-WOJGMQOQSA-N 1 2 403.523 2.880 20 0 HFADLO Cc1nc(C[NH+]2CCC(C(=O)O[C@H](C)C(=O)NCCc3ccccc3)CC2)cs1 ZINC000805962093 1079378285 /nfs/dbraw/zinc/37/82/85/1079378285.db2.gz MUSLYATZMUBFLZ-MRXNPFEDSA-N 1 2 415.559 2.954 20 0 HFADLO COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1F ZINC000806209038 1079493778 /nfs/dbraw/zinc/49/37/78/1079493778.db2.gz MXAFVJWZCAYZPK-MRXNPFEDSA-N 1 2 422.501 2.993 20 0 HFADLO CC(C)NC(=O)OC1CN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000806213219 1079498148 /nfs/dbraw/zinc/49/81/48/1079498148.db2.gz NRCXRPDZAWTENN-IYBDPMFKSA-N 1 2 404.511 2.647 20 0 HFADLO CC(C)NC(=O)OC1CN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000806213219 1079498150 /nfs/dbraw/zinc/49/81/50/1079498150.db2.gz NRCXRPDZAWTENN-IYBDPMFKSA-N 1 2 404.511 2.647 20 0 HFADLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1N1CCSCC1 ZINC000806247604 1079500758 /nfs/dbraw/zinc/50/07/58/1079500758.db2.gz NAYCCYYWTJOJSQ-PKOBYXMFSA-N 1 2 404.580 2.875 20 0 HFADLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787357064 1076795412 /nfs/dbraw/zinc/79/54/12/1076795412.db2.gz HIKLOSDOTISGLI-QZTJIDSGSA-N 1 2 405.539 2.868 20 0 HFADLO Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787357064 1076795415 /nfs/dbraw/zinc/79/54/15/1076795415.db2.gz HIKLOSDOTISGLI-QZTJIDSGSA-N 1 2 405.539 2.868 20 0 HFADLO CCc1nn(C)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787391061 1076805658 /nfs/dbraw/zinc/80/56/58/1076805658.db2.gz XFZIZNXEIUKNOW-UHFFFAOYSA-N 1 2 406.328 2.749 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)/C=C\c3cncc(O)c3)cc2Br)CC1 ZINC000787673920 1076889852 /nfs/dbraw/zinc/88/98/52/1076889852.db2.gz YYNBDOJKBQOEBQ-DJWKRKHSSA-N 1 2 417.307 2.953 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4nc[nH]c4n3)cc2Br)CC1 ZINC000787675769 1076890614 /nfs/dbraw/zinc/89/06/14/1076890614.db2.gz UCGGWCPLFHZVPF-UHFFFAOYSA-N 1 2 415.295 2.725 20 0 HFADLO COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000787642504 1076893814 /nfs/dbraw/zinc/89/38/14/1076893814.db2.gz CCUSTRAUBRVVNC-KRWDZBQOSA-N 1 2 404.898 2.894 20 0 HFADLO Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c(N(C)C)[nH+]1 ZINC000787645497 1076895242 /nfs/dbraw/zinc/89/52/42/1076895242.db2.gz RFUGTNNSWSAVRE-VIFPVBQESA-N 1 2 401.414 2.747 20 0 HFADLO C[C@H](C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000787664836 1076903851 /nfs/dbraw/zinc/90/38/51/1076903851.db2.gz HNDMTVZGWNOGRR-HXUWFJFHSA-N 1 2 407.558 2.800 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CSCCS3)cc2Br)CC1 ZINC000787669728 1076905759 /nfs/dbraw/zinc/90/57/59/1076905759.db2.gz HTCRTWZSRBDTNW-OAHLLOKOSA-N 1 2 416.410 2.988 20 0 HFADLO O=C(C[N@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC1)N1CCCC1 ZINC000772706883 1076947882 /nfs/dbraw/zinc/94/78/82/1076947882.db2.gz CTKBYMNNXVOFTK-UHFFFAOYSA-N 1 2 418.847 2.524 20 0 HFADLO O=C(C[N@@H+]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2Cl)CC1)N1CCCC1 ZINC000772706883 1076947885 /nfs/dbraw/zinc/94/78/85/1076947885.db2.gz CTKBYMNNXVOFTK-UHFFFAOYSA-N 1 2 418.847 2.524 20 0 HFADLO C[C@H](NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)F)cc1 ZINC000787855587 1076981380 /nfs/dbraw/zinc/98/13/80/1076981380.db2.gz ORHKFSVBPRDCRM-AWEZNQCLSA-N 1 2 414.412 2.967 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CC(=O)NC(=O)NCc2cccs2)C1 ZINC000787994639 1077021483 /nfs/dbraw/zinc/02/14/83/1077021483.db2.gz JFMGTLYXAPRBOS-HXUWFJFHSA-N 1 2 422.551 2.549 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CC(=O)NC(=O)NCc2cccs2)C1 ZINC000787994639 1077021489 /nfs/dbraw/zinc/02/14/89/1077021489.db2.gz JFMGTLYXAPRBOS-HXUWFJFHSA-N 1 2 422.551 2.549 20 0 HFADLO COC(=O)NCCc1ccc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccc2C)s1 ZINC000788095397 1077057178 /nfs/dbraw/zinc/05/71/78/1077057178.db2.gz MGUJNBOWRQWLMI-UHFFFAOYSA-N 1 2 411.549 2.817 20 0 HFADLO COC(=O)NCCc1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)s1 ZINC000788095631 1077057307 /nfs/dbraw/zinc/05/73/07/1077057307.db2.gz MMMPNDIWYIMPSA-UHFFFAOYSA-N 1 2 423.438 2.799 20 0 HFADLO Cc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1N1CCOC1=O ZINC000746728798 1077061702 /nfs/dbraw/zinc/06/17/02/1077061702.db2.gz APBZSOQGBIMKMK-GOSISDBHSA-N 1 2 402.495 2.670 20 0 HFADLO CC(C)(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)nn1 ZINC000788244853 1077085533 /nfs/dbraw/zinc/08/55/33/1077085533.db2.gz OZOOFZPQBRCAHV-OAHLLOKOSA-N 1 2 412.538 2.951 20 0 HFADLO CC(C)(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)nn1 ZINC000788244853 1077085539 /nfs/dbraw/zinc/08/55/39/1077085539.db2.gz OZOOFZPQBRCAHV-OAHLLOKOSA-N 1 2 412.538 2.951 20 0 HFADLO COc1ccccc1C(=O)NCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788244256 1077085791 /nfs/dbraw/zinc/08/57/91/1077085791.db2.gz OJVQRVPZXWAHQR-MRXNPFEDSA-N 1 2 410.518 2.870 20 0 HFADLO COc1ccccc1C(=O)NCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788244256 1077085794 /nfs/dbraw/zinc/08/57/94/1077085794.db2.gz OJVQRVPZXWAHQR-MRXNPFEDSA-N 1 2 410.518 2.870 20 0 HFADLO O=C(CCn1nnc2ccccc2c1=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245230 1077086004 /nfs/dbraw/zinc/08/60/04/1077086004.db2.gz QTMNAZIAHNXVGT-MRXNPFEDSA-N 1 2 420.517 2.626 20 0 HFADLO O=C(CCn1nnc2ccccc2c1=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245230 1077086009 /nfs/dbraw/zinc/08/60/09/1077086009.db2.gz QTMNAZIAHNXVGT-MRXNPFEDSA-N 1 2 420.517 2.626 20 0 HFADLO O=C(CNC(=O)Cc1cccc(F)c1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245254 1077086027 /nfs/dbraw/zinc/08/60/27/1077086027.db2.gz FBCJBQAJEODFDK-SFHVURJKSA-N 1 2 412.509 2.929 20 0 HFADLO O=C(CNC(=O)Cc1cccc(F)c1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245254 1077086034 /nfs/dbraw/zinc/08/60/34/1077086034.db2.gz FBCJBQAJEODFDK-SFHVURJKSA-N 1 2 412.509 2.929 20 0 HFADLO O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1CN1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788380515 1077136044 /nfs/dbraw/zinc/13/60/44/1077136044.db2.gz ZVAHGPDAEZHMKB-XXBNENTESA-N 1 2 406.486 2.666 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000788438556 1077147046 /nfs/dbraw/zinc/14/70/46/1077147046.db2.gz VFZLHCTUPNERPP-RYQLBKOJSA-N 1 2 406.527 2.648 20 0 HFADLO CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000788447523 1077162673 /nfs/dbraw/zinc/16/26/73/1077162673.db2.gz XZHSMLUNAPKBBI-UHFFFAOYSA-N 1 2 403.891 2.918 20 0 HFADLO COc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cnc1Br ZINC000788449072 1077162736 /nfs/dbraw/zinc/16/27/36/1077162736.db2.gz KVIDWAFBVYDUMC-UHFFFAOYSA-N 1 2 406.280 2.937 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000788461696 1077167323 /nfs/dbraw/zinc/16/73/23/1077167323.db2.gz GKBNKZZDTKKDAS-GOSISDBHSA-N 1 2 410.474 2.981 20 0 HFADLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788472576 1077171041 /nfs/dbraw/zinc/17/10/41/1077171041.db2.gz QWJAUIAIBODMIK-JOCHJYFZSA-N 1 2 422.533 2.905 20 0 HFADLO Cc1cccn2cc(CCNC(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)[nH+]c12 ZINC000746750938 1077207822 /nfs/dbraw/zinc/20/78/22/1077207822.db2.gz YDBMUGQQGURKNJ-UHFFFAOYSA-N 1 2 401.511 2.884 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000788602598 1077220186 /nfs/dbraw/zinc/22/01/86/1077220186.db2.gz CEGNLXHLGOPDAN-LBPRGKRZSA-N 1 2 406.653 2.580 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(C)c1Cl ZINC000788679362 1077247670 /nfs/dbraw/zinc/24/76/70/1077247670.db2.gz GPJZUDNTBIBEPI-GFCCVEGCSA-N 1 2 406.957 2.792 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c(C)c1Cl ZINC000788679362 1077247674 /nfs/dbraw/zinc/24/76/74/1077247674.db2.gz GPJZUDNTBIBEPI-GFCCVEGCSA-N 1 2 406.957 2.792 20 0 HFADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c(Cl)n1 ZINC000788682933 1077249635 /nfs/dbraw/zinc/24/96/35/1077249635.db2.gz NJNGJTLGYKNCER-MRXNPFEDSA-N 1 2 411.980 2.939 20 0 HFADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c(Cl)n1 ZINC000788682933 1077249639 /nfs/dbraw/zinc/24/96/39/1077249639.db2.gz NJNGJTLGYKNCER-MRXNPFEDSA-N 1 2 411.980 2.939 20 0 HFADLO O=C(NC1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1)c1ccsc1 ZINC000788770195 1077283053 /nfs/dbraw/zinc/28/30/53/1077283053.db2.gz FVGNYQIXQJSBLL-GOSISDBHSA-N 1 2 411.527 2.518 20 0 HFADLO O=C(c1cccc2[nH+]ccn21)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000791115129 1077301790 /nfs/dbraw/zinc/30/17/90/1077301790.db2.gz WFMATSHYONELJP-MRXNPFEDSA-N 1 2 404.348 2.546 20 0 HFADLO CC(C)(C)OC(=O)NCc1nc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000788831608 1077312922 /nfs/dbraw/zinc/31/29/22/1077312922.db2.gz HPVGWVWHWJGLRL-CQSZACIVSA-N 1 2 404.492 2.856 20 0 HFADLO C[C@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000746985748 1077319326 /nfs/dbraw/zinc/31/93/26/1077319326.db2.gz IKYGILSTAJXMFN-DZGCQCFKSA-N 1 2 404.413 2.606 20 0 HFADLO C[C@H](OC(=O)c1c(F)cc(O)cc1F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000746985748 1077319332 /nfs/dbraw/zinc/31/93/32/1077319332.db2.gz IKYGILSTAJXMFN-DZGCQCFKSA-N 1 2 404.413 2.606 20 0 HFADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)C3=Cc4ccccc4OC3)CC2)oc1C ZINC000788891945 1077334076 /nfs/dbraw/zinc/33/40/76/1077334076.db2.gz TYPUKXYABRWWIR-UHFFFAOYSA-N 1 2 417.531 2.856 20 0 HFADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788894991 1077342976 /nfs/dbraw/zinc/34/29/76/1077342976.db2.gz BISLIXSGVLLCLZ-UHFFFAOYSA-N 1 2 413.543 2.504 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000791301412 1077363430 /nfs/dbraw/zinc/36/34/30/1077363430.db2.gz JLNBRARERMKPOJ-UHFFFAOYSA-N 1 2 408.389 2.880 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)[nH+]c12 ZINC000746775501 1077363433 /nfs/dbraw/zinc/36/34/33/1077363433.db2.gz FMZPZTFBPASSPY-INIZCTEOSA-N 1 2 401.511 2.836 20 0 HFADLO CC(C)(C)Sc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000746788280 1077410299 /nfs/dbraw/zinc/41/02/99/1077410299.db2.gz CMPXRVPLGVLYSY-KRWDZBQOSA-N 1 2 405.564 2.839 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000791431093 1077417688 /nfs/dbraw/zinc/41/76/88/1077417688.db2.gz LAYPDSPFSRKMLO-UHFFFAOYSA-N 1 2 422.466 2.733 20 0 HFADLO Nc1c(F)cc(Cl)cc1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000791480000 1077420586 /nfs/dbraw/zinc/42/05/86/1077420586.db2.gz UOCXFFACPZBMOB-UHFFFAOYSA-N 1 2 411.886 2.624 20 0 HFADLO CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000789143155 1077432461 /nfs/dbraw/zinc/43/24/61/1077432461.db2.gz HPYILYQURPMGNL-UHFFFAOYSA-N 1 2 417.554 2.975 20 0 HFADLO Cc1nc(CC2CC2)sc1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000789175481 1077444780 /nfs/dbraw/zinc/44/47/80/1077444780.db2.gz AJOFCUUMFWTQAT-UHFFFAOYSA-N 1 2 419.572 2.967 20 0 HFADLO COc1cccc(C2=NO[C@H](C(=O)Nc3cccc(C[NH+]4CCN(C)CC4)c3)C2)c1 ZINC000791540549 1077458933 /nfs/dbraw/zinc/45/89/33/1077458933.db2.gz LQWZDNLJEHUXBT-QFIPXVFZSA-N 1 2 408.502 2.574 20 0 HFADLO COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000789206814 1077462054 /nfs/dbraw/zinc/46/20/54/1077462054.db2.gz PORBQBMYZFPIGU-AEFFLSMTSA-N 1 2 417.554 2.975 20 0 HFADLO CC1(C)COc2c1cccc2C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000789240354 1077467419 /nfs/dbraw/zinc/46/74/19/1077467419.db2.gz AGKWQHZEPFIUNS-UHFFFAOYSA-N 1 2 424.497 2.984 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CCN1CCS(=O)(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000791578275 1077469437 /nfs/dbraw/zinc/46/94/37/1077469437.db2.gz IXIPROFXIMSKTQ-SYQHCUMBSA-N 1 2 424.451 2.947 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CCN1CCS(=O)(=O)CC[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000791578275 1077469438 /nfs/dbraw/zinc/46/94/38/1077469438.db2.gz IXIPROFXIMSKTQ-SYQHCUMBSA-N 1 2 424.451 2.947 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)CCN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000791578275 1077469441 /nfs/dbraw/zinc/46/94/41/1077469441.db2.gz IXIPROFXIMSKTQ-SYQHCUMBSA-N 1 2 424.451 2.947 20 0 HFADLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)CCN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000791578275 1077469443 /nfs/dbraw/zinc/46/94/43/1077469443.db2.gz IXIPROFXIMSKTQ-SYQHCUMBSA-N 1 2 424.451 2.947 20 0 HFADLO CC[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000789293973 1077500905 /nfs/dbraw/zinc/50/09/05/1077500905.db2.gz NNWCJNKJJNCDRF-XUVXKRRUSA-N 1 2 408.564 2.933 20 0 HFADLO CC[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000789293973 1077500910 /nfs/dbraw/zinc/50/09/10/1077500910.db2.gz NNWCJNKJJNCDRF-XUVXKRRUSA-N 1 2 408.564 2.933 20 0 HFADLO COCCONC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000789339709 1077527722 /nfs/dbraw/zinc/52/77/22/1077527722.db2.gz JRNDZYBNPYXIIF-UHFFFAOYSA-N 1 2 413.518 2.698 20 0 HFADLO COc1nc(Br)ccc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000789383739 1077530765 /nfs/dbraw/zinc/53/07/65/1077530765.db2.gz HAZIUONVXLHMKF-ZDUSSCGKSA-N 1 2 413.316 2.571 20 0 HFADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789391636 1077534950 /nfs/dbraw/zinc/53/49/50/1077534950.db2.gz FERRKYFGOPIVDV-HZPDHXFCSA-N 1 2 424.538 2.593 20 0 HFADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789391636 1077534954 /nfs/dbraw/zinc/53/49/54/1077534954.db2.gz FERRKYFGOPIVDV-HZPDHXFCSA-N 1 2 424.538 2.593 20 0 HFADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789391637 1077535007 /nfs/dbraw/zinc/53/50/07/1077535007.db2.gz FERRKYFGOPIVDV-JKSUJKDBSA-N 1 2 424.538 2.593 20 0 HFADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]1COC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789391637 1077535013 /nfs/dbraw/zinc/53/50/13/1077535013.db2.gz FERRKYFGOPIVDV-JKSUJKDBSA-N 1 2 424.538 2.593 20 0 HFADLO CCN(CC)C(=O)C1CC[NH+](CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)CC1 ZINC000789425425 1077556573 /nfs/dbraw/zinc/55/65/73/1077556573.db2.gz PKBZNJNSLJLXED-QFIPXVFZSA-N 1 2 406.571 2.661 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)C1=O ZINC000789443845 1077575508 /nfs/dbraw/zinc/57/55/08/1077575508.db2.gz OZIODAACGMRLMR-KNQAVFIVSA-N 1 2 407.555 2.741 20 0 HFADLO O=C(NOCc1cccnc1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000746822743 1077597227 /nfs/dbraw/zinc/59/72/27/1077597227.db2.gz UPPIIBGFRKSYPZ-UHFFFAOYSA-N 1 2 410.396 2.939 20 0 HFADLO C[C@]12CC[N@H+](CN3C(=O)N[C@]4(CCc5ccccc5C4)C3=O)C[C@H]1C2(Cl)Cl ZINC000789478492 1077609310 /nfs/dbraw/zinc/60/93/10/1077609310.db2.gz IQDRRZMMAQKZNM-MNEFBYGVSA-N 1 2 408.329 2.939 20 0 HFADLO C[C@]12CC[N@@H+](CN3C(=O)N[C@]4(CCc5ccccc5C4)C3=O)C[C@H]1C2(Cl)Cl ZINC000789478492 1077609314 /nfs/dbraw/zinc/60/93/14/1077609314.db2.gz IQDRRZMMAQKZNM-MNEFBYGVSA-N 1 2 408.329 2.939 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N(C)Cc3[nH+]cc(C)c(OC)c3C)C2)c1 ZINC000792106950 1077700012 /nfs/dbraw/zinc/70/00/12/1077700012.db2.gz QBWHPSOAQCTDNG-HXUWFJFHSA-N 1 2 413.474 2.876 20 0 HFADLO Cn1cc([C@H]2CN(C(=O)[C@H](Oc3ccc(F)c(F)c3)c3ccccc3)CC[NH2+]2)cn1 ZINC001170112193 1077702694 /nfs/dbraw/zinc/70/26/94/1077702694.db2.gz MBDDYRJWEYJIEY-NHCUHLMSSA-N 1 2 412.440 2.992 20 0 HFADLO C[C@@H](CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)NC(=O)OC(C)(C)C ZINC000792116096 1077703282 /nfs/dbraw/zinc/70/32/82/1077703282.db2.gz WKFKMIYGPHECDS-DOTOQJQBSA-N 1 2 401.511 2.916 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)[nH+]1 ZINC000789600350 1077703945 /nfs/dbraw/zinc/70/39/45/1077703945.db2.gz ZOOLQQCSHFGGDK-UHFFFAOYSA-N 1 2 409.155 2.665 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)C2)c1 ZINC000792082578 1077707090 /nfs/dbraw/zinc/70/70/90/1077707090.db2.gz TYZRNAXGGVITBG-MOPGFXCFSA-N 1 2 400.479 2.624 20 0 HFADLO C[C@H]([C@H](C)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000792143064 1077721298 /nfs/dbraw/zinc/72/12/98/1077721298.db2.gz FEQKWYBNAAGECW-FCEWJHQRSA-N 1 2 423.529 2.659 20 0 HFADLO CCOC(=O)c1cnc(Cl)c(F)c1N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001170163281 1077723838 /nfs/dbraw/zinc/72/38/38/1077723838.db2.gz WONSJBFHOZVZLV-UHFFFAOYSA-N 1 2 421.860 2.919 20 0 HFADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789768591 1077770662 /nfs/dbraw/zinc/77/06/62/1077770662.db2.gz JNOLVNQWMNAYIC-NRFANRHFSA-N 1 2 415.925 2.882 20 0 HFADLO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789768591 1077770667 /nfs/dbraw/zinc/77/06/67/1077770667.db2.gz JNOLVNQWMNAYIC-NRFANRHFSA-N 1 2 415.925 2.882 20 0 HFADLO Cc1nc(CC2CC2)oc1C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000789736621 1077772174 /nfs/dbraw/zinc/77/21/74/1077772174.db2.gz FXRBCIHDHBRAFP-UHFFFAOYSA-N 1 2 406.527 2.608 20 0 HFADLO C[C@H](CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000792263460 1077785788 /nfs/dbraw/zinc/78/57/88/1077785788.db2.gz YYEXYTTWZBKBIE-VEGGFIAOSA-N 1 2 402.539 2.940 20 0 HFADLO C[C@@H](CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000792263461 1077785831 /nfs/dbraw/zinc/78/58/31/1077785831.db2.gz YYEXYTTWZBKBIE-YFWYWMRJSA-N 1 2 402.539 2.940 20 0 HFADLO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2nc3ccccc3c(=O)n2C)cn1 ZINC000792374884 1077820915 /nfs/dbraw/zinc/82/09/15/1077820915.db2.gz DCLLUHYONQPWRG-QFIPXVFZSA-N 1 2 417.513 2.886 20 0 HFADLO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2nc3ccccc3c(=O)n2C)cn1 ZINC000792374884 1077820922 /nfs/dbraw/zinc/82/09/22/1077820922.db2.gz DCLLUHYONQPWRG-QFIPXVFZSA-N 1 2 417.513 2.886 20 0 HFADLO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000789881856 1077834794 /nfs/dbraw/zinc/83/47/94/1077834794.db2.gz PJXIWHLTZSZCHS-KRWDZBQOSA-N 1 2 422.451 2.582 20 0 HFADLO CCn1cc([C@@H](O)C[N@H+](Cc2nc3ccc(OC)nc3[nH]2)Cc2ccccc2)cn1 ZINC000792377307 1077843561 /nfs/dbraw/zinc/84/35/61/1077843561.db2.gz UJSXZVRMVHIATK-IBGZPJMESA-N 1 2 406.490 2.919 20 0 HFADLO CCn1cc([C@@H](O)C[N@@H+](Cc2nc3ccc(OC)nc3[nH]2)Cc2ccccc2)cn1 ZINC000792377307 1077843568 /nfs/dbraw/zinc/84/35/68/1077843568.db2.gz UJSXZVRMVHIATK-IBGZPJMESA-N 1 2 406.490 2.919 20 0 HFADLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000746865011 1077868365 /nfs/dbraw/zinc/86/83/65/1077868365.db2.gz WJHWFTRRGSKXBM-FLIBITNWSA-N 1 2 403.504 2.750 20 0 HFADLO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000772797038 1077879881 /nfs/dbraw/zinc/87/98/81/1077879881.db2.gz BTYDGGDDDXBNCK-NEPJUHHUSA-N 1 2 421.410 2.896 20 0 HFADLO CC(C)NC(=O)[C@@H](Nc1cc(N2CCN(c3ccc(F)cc3)CC2)nc[nH+]1)C(C)C ZINC001170189244 1077904378 /nfs/dbraw/zinc/90/43/78/1077904378.db2.gz ABNIOTQZMIHAKA-NRFANRHFSA-N 1 2 414.529 2.903 20 0 HFADLO CC(C)NC(=O)[C@@H](Nc1cc(N2CCN(c3ccc(F)cc3)CC2)[nH+]cn1)C(C)C ZINC001170189244 1077904379 /nfs/dbraw/zinc/90/43/79/1077904379.db2.gz ABNIOTQZMIHAKA-NRFANRHFSA-N 1 2 414.529 2.903 20 0 HFADLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1[C@H](C)Cc1ccccc1Cl ZINC001170275834 1077926783 /nfs/dbraw/zinc/92/67/83/1077926783.db2.gz YUYSVPIKERXIJI-RHSMWYFYSA-N 1 2 400.914 2.794 20 0 HFADLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1[C@H](C)Cc1ccccc1Cl ZINC001170275834 1077926790 /nfs/dbraw/zinc/92/67/90/1077926790.db2.gz YUYSVPIKERXIJI-RHSMWYFYSA-N 1 2 400.914 2.794 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000790130645 1077952031 /nfs/dbraw/zinc/95/20/31/1077952031.db2.gz BQYNIBDKHUNLNR-AUSIDOKSSA-N 1 2 412.530 2.868 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC000790132729 1077952671 /nfs/dbraw/zinc/95/26/71/1077952671.db2.gz QOMNBBJWYBCTCY-GOSISDBHSA-N 1 2 408.502 2.706 20 0 HFADLO C[C@H](CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000790136399 1077953862 /nfs/dbraw/zinc/95/38/62/1077953862.db2.gz QTKHDXMGYPXHAM-QYZOEREBSA-N 1 2 411.587 2.839 20 0 HFADLO C[C@H](CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000790136397 1077953870 /nfs/dbraw/zinc/95/38/70/1077953870.db2.gz QTKHDXMGYPXHAM-QRVBRYPASA-N 1 2 411.587 2.839 20 0 HFADLO COc1ccc(C(=O)Nc2ccccc2C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000790137726 1077954089 /nfs/dbraw/zinc/95/40/89/1077954089.db2.gz WPYRCTSZNOTOBX-KRWDZBQOSA-N 1 2 411.502 2.740 20 0 HFADLO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(Br)nc3N)CC2)c1 ZINC001170384640 1077956566 /nfs/dbraw/zinc/95/65/66/1077956566.db2.gz DFSJUIINXWYRKM-UHFFFAOYSA-N 1 2 408.300 2.637 20 0 HFADLO Cc1nn(-c2ccccc2)c2ncc(C(=O)N(C)CC[N@@H+]3CCOC(C)(C)C3)cc12 ZINC000790125318 1077959346 /nfs/dbraw/zinc/95/93/46/1077959346.db2.gz QRMKOEYQCUKCAO-UHFFFAOYSA-N 1 2 407.518 2.912 20 0 HFADLO Cc1nn(-c2ccccc2)c2ncc(C(=O)N(C)CC[N@H+]3CCOC(C)(C)C3)cc12 ZINC000790125318 1077959347 /nfs/dbraw/zinc/95/93/47/1077959347.db2.gz QRMKOEYQCUKCAO-UHFFFAOYSA-N 1 2 407.518 2.912 20 0 HFADLO CCOc1ccccc1C(F)(F)C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000790155441 1077960705 /nfs/dbraw/zinc/96/07/05/1077960705.db2.gz SXMLZTDAWURGRG-UHFFFAOYSA-N 1 2 403.429 2.659 20 0 HFADLO CCOc1ccccc1C(F)(F)C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000790155441 1077960709 /nfs/dbraw/zinc/96/07/09/1077960709.db2.gz SXMLZTDAWURGRG-UHFFFAOYSA-N 1 2 403.429 2.659 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)nc3Cl)cc2C1 ZINC000790157103 1077961404 /nfs/dbraw/zinc/96/14/04/1077961404.db2.gz HTNAHAWXUQFUCC-UHFFFAOYSA-N 1 2 412.799 2.850 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)nc3Cl)cc2C1 ZINC000790157103 1077961406 /nfs/dbraw/zinc/96/14/06/1077961406.db2.gz HTNAHAWXUQFUCC-UHFFFAOYSA-N 1 2 412.799 2.850 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3csc(-c4ccc(O)cc4)n3)cc2C1 ZINC000790160026 1077962968 /nfs/dbraw/zinc/96/29/68/1077962968.db2.gz ZPMOHGCLNKNBRW-UHFFFAOYSA-N 1 2 408.483 2.611 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3csc(-c4ccc(O)cc4)n3)cc2C1 ZINC000790160026 1077962969 /nfs/dbraw/zinc/96/29/69/1077962969.db2.gz ZPMOHGCLNKNBRW-UHFFFAOYSA-N 1 2 408.483 2.611 20 0 HFADLO Cc1cn2ccc(I)c(NCC(=O)NCc3ccco3)c2[nH+]1 ZINC001170380572 1077963579 /nfs/dbraw/zinc/96/35/79/1077963579.db2.gz QRMMTNKTSQTZFS-UHFFFAOYSA-N 1 2 410.215 2.569 20 0 HFADLO O=C(COC(=O)c1n[nH]c2ccc(Cl)cc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000792808358 1078001010 /nfs/dbraw/zinc/00/10/10/1078001010.db2.gz PKGCQFTVEWZRCB-UHFFFAOYSA-N 1 2 418.906 2.779 20 0 HFADLO C[C@]12CC[N@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)C[C@H]1C2(Cl)Cl ZINC000792905336 1078020486 /nfs/dbraw/zinc/02/04/86/1078020486.db2.gz INLSDWCFKZUAEQ-PBHICJAKSA-N 1 2 414.289 2.622 20 0 HFADLO C[C@]12CC[N@@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)C[C@H]1C2(Cl)Cl ZINC000792905336 1078020492 /nfs/dbraw/zinc/02/04/92/1078020492.db2.gz INLSDWCFKZUAEQ-PBHICJAKSA-N 1 2 414.289 2.622 20 0 HFADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792911241 1078023546 /nfs/dbraw/zinc/02/35/46/1078023546.db2.gz QXDGMLHRXRFIPO-PBHICJAKSA-N 1 2 418.390 2.729 20 0 HFADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792911241 1078023549 /nfs/dbraw/zinc/02/35/49/1078023549.db2.gz QXDGMLHRXRFIPO-PBHICJAKSA-N 1 2 418.390 2.729 20 0 HFADLO COc1ccccc1-c1nc(C2CC[NH+](CN3CC(=O)N(C(C)C)C3=O)CC2)no1 ZINC000790455580 1078036878 /nfs/dbraw/zinc/03/68/78/1078036878.db2.gz HJKYPANYEQEBPL-UHFFFAOYSA-N 1 2 413.478 2.555 20 0 HFADLO Cn1cc([C@@H]2CSCC[N@@H+]2Cn2nc(Br)c(=O)c3ccccc32)cn1 ZINC000790470990 1078038934 /nfs/dbraw/zinc/03/89/34/1078038934.db2.gz GTHDEIKMOFZZBF-HNNXBMFYSA-N 1 2 420.336 2.640 20 0 HFADLO Cn1cc([C@@H]2CSCC[N@H+]2Cn2nc(Br)c(=O)c3ccccc32)cn1 ZINC000790470990 1078038938 /nfs/dbraw/zinc/03/89/38/1078038938.db2.gz GTHDEIKMOFZZBF-HNNXBMFYSA-N 1 2 420.336 2.640 20 0 HFADLO C[C@@H]1CCSCC[N@@H+]1Cn1nc(N2CCOCC2)n(CC(F)(F)F)c1=S ZINC000790476868 1078040146 /nfs/dbraw/zinc/04/01/46/1078040146.db2.gz HGKJMOUFDRNHJZ-GFCCVEGCSA-N 1 2 411.519 2.598 20 0 HFADLO C[C@@H]1CCSCC[N@H+]1Cn1nc(N2CCOCC2)n(CC(F)(F)F)c1=S ZINC000790476868 1078040151 /nfs/dbraw/zinc/04/01/51/1078040151.db2.gz HGKJMOUFDRNHJZ-GFCCVEGCSA-N 1 2 411.519 2.598 20 0 HFADLO COCC[N@H+](Cn1nc2n(c1=S)c1ccccc1c(=O)n2C)[C@H]1CC[C@@H](C)C1 ZINC000790476723 1078040284 /nfs/dbraw/zinc/04/02/84/1078040284.db2.gz CONJHJOFWASGGO-CABCVRRESA-N 1 2 401.536 2.812 20 0 HFADLO COCC[N@@H+](Cn1nc2n(c1=S)c1ccccc1c(=O)n2C)[C@H]1CC[C@@H](C)C1 ZINC000790476723 1078040289 /nfs/dbraw/zinc/04/02/89/1078040289.db2.gz CONJHJOFWASGGO-CABCVRRESA-N 1 2 401.536 2.812 20 0 HFADLO CC(C)OC(=O)NCc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000806275581 1079538786 /nfs/dbraw/zinc/53/87/86/1079538786.db2.gz LXXZAHGBTLVEMW-QFBILLFUSA-N 1 2 404.511 2.648 20 0 HFADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)c1C ZINC000806300183 1079550849 /nfs/dbraw/zinc/55/08/49/1079550849.db2.gz IYTFQJHFURYHBD-KRWDZBQOSA-N 1 2 413.522 2.637 20 0 HFADLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)N[C@@H]1CCCc2cn(C(C)C)nc21 ZINC000806296304 1079585353 /nfs/dbraw/zinc/58/53/53/1079585353.db2.gz NOSQNWYYWPEPPV-GOSISDBHSA-N 1 2 414.554 2.655 20 0 HFADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccc(-c2ccccc2OC(F)(F)F)nc1 ZINC001158005677 1079588584 /nfs/dbraw/zinc/58/85/84/1079588584.db2.gz BEBKZMYRWPWKRE-MRXNPFEDSA-N 1 2 423.391 2.624 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000806427278 1079671822 /nfs/dbraw/zinc/67/18/22/1079671822.db2.gz FAHJZXJTADEVTE-GOSISDBHSA-N 1 2 403.527 2.703 20 0 HFADLO Cc1nccc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1Cl ZINC000806401910 1079689833 /nfs/dbraw/zinc/68/98/33/1079689833.db2.gz QDEAUTXSJFXBPT-HNNXBMFYSA-N 1 2 423.945 2.624 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2cc(-n3cccc3)ccn2)CC1 ZINC000806499282 1079749243 /nfs/dbraw/zinc/74/92/43/1079749243.db2.gz NMUGVXUZXDYMEA-UHFFFAOYSA-N 1 2 413.522 2.545 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=S)NC(C3CC3)C3CC3)CC2)C1 ZINC000806609050 1079852425 /nfs/dbraw/zinc/85/24/25/1079852425.db2.gz MIAMBJQGAFJZLG-KRWDZBQOSA-N 1 2 408.612 2.677 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCc3ccc(F)cc3F)CC2)C1 ZINC000806626054 1079883607 /nfs/dbraw/zinc/88/36/07/1079883607.db2.gz YOKNOXJXNFIRCE-QGZVFWFLSA-N 1 2 424.492 2.801 20 0 HFADLO COc1ccc(CS(C)(=O)=O)cc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000806636328 1079892292 /nfs/dbraw/zinc/89/22/92/1079892292.db2.gz NQCGEFXIEHYWEN-QGZVFWFLSA-N 1 2 408.524 2.673 20 0 HFADLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000806670971 1079905868 /nfs/dbraw/zinc/90/58/68/1079905868.db2.gz KZTTVINUTFFCCH-CADBVGFASA-N 1 2 424.586 2.527 20 0 HFADLO C[C@H]([C@H](C)NC(=O)N1CCCC[C@@H]1COC(=O)NC1CCCCC1)[NH+]1CCOCC1 ZINC000806741851 1079997085 /nfs/dbraw/zinc/99/70/85/1079997085.db2.gz SIEZUPIDGDEBMK-NLWGTHIKSA-N 1 2 424.586 2.719 20 0 HFADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806801785 1080018198 /nfs/dbraw/zinc/01/81/98/1080018198.db2.gz CLTLCDLGBRNJCS-JTQLQIEISA-N 1 2 424.265 2.620 20 0 HFADLO C[C@@]1(c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)cc2)NC(=O)NC1=O ZINC000747359700 1080031378 /nfs/dbraw/zinc/03/13/78/1080031378.db2.gz CXNCNDBBGKLEOX-CVDCTZTESA-N 1 2 424.476 2.874 20 0 HFADLO C[C@@]1(c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)cc2)NC(=O)NC1=O ZINC000747359700 1080031391 /nfs/dbraw/zinc/03/13/91/1080031391.db2.gz CXNCNDBBGKLEOX-CVDCTZTESA-N 1 2 424.476 2.874 20 0 HFADLO Cc1ccc(CCNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000806821754 1080038650 /nfs/dbraw/zinc/03/86/50/1080038650.db2.gz YHZHUZPWEAFZPE-FQEVSTJZSA-N 1 2 416.566 2.874 20 0 HFADLO CC1(C)CC(=O)c2cc(NC(=O)C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2O1 ZINC000806867780 1080067991 /nfs/dbraw/zinc/06/79/91/1080067991.db2.gz OTCOYFXQSWCZCA-UHFFFAOYSA-N 1 2 418.453 2.871 20 0 HFADLO CNC(=O)OC[C@H]1CCCCN1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000806871162 1080072696 /nfs/dbraw/zinc/07/26/96/1080072696.db2.gz YHWALMWPOWOEQE-HXUWFJFHSA-N 1 2 417.554 2.642 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCCCC3(C)C)CC2)cc1 ZINC000806876407 1080076194 /nfs/dbraw/zinc/07/61/94/1080076194.db2.gz VNGRBIMURKCFDL-FQEVSTJZSA-N 1 2 400.567 2.923 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000806888049 1080085995 /nfs/dbraw/zinc/08/59/95/1080085995.db2.gz VONVFNCQBJEDKV-UHFFFAOYSA-N 1 2 421.611 2.597 20 0 HFADLO C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccncc1 ZINC000806919856 1080088387 /nfs/dbraw/zinc/08/83/87/1080088387.db2.gz FGZNQNUPXKGSLJ-IEBWSBKVSA-N 1 2 417.554 2.522 20 0 HFADLO C[C@H]1CC(NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C[C@H](C)C1 ZINC000806901620 1080107943 /nfs/dbraw/zinc/10/79/43/1080107943.db2.gz LIZYHLISWNGIQT-IAGOWNOFSA-N 1 2 400.567 2.779 20 0 HFADLO Cc1ccc(NC(=O)C(=O)N2CCc3ccc(Br)cc32)c(N(C)C)[nH+]1 ZINC000807047530 1080217354 /nfs/dbraw/zinc/21/73/54/1080217354.db2.gz CMKWQURLOXCTQH-UHFFFAOYSA-N 1 2 403.280 2.746 20 0 HFADLO CC(C)CSCCNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807027374 1080222068 /nfs/dbraw/zinc/22/20/68/1080222068.db2.gz CGJXDMYJULKJDA-QGZVFWFLSA-N 1 2 414.616 2.712 20 0 HFADLO CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000807067161 1080250375 /nfs/dbraw/zinc/25/03/75/1080250375.db2.gz VPWRKMLUDXDAEO-UHFFFAOYSA-N 1 2 410.518 2.792 20 0 HFADLO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC001130832651 1080252800 /nfs/dbraw/zinc/25/28/00/1080252800.db2.gz JXDGFLGJURIPDP-APWZRJJASA-N 1 2 403.523 2.819 20 0 HFADLO CC(C)OCCCCNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807096601 1080274724 /nfs/dbraw/zinc/27/47/24/1080274724.db2.gz HENBRRDBGOKBCS-SFHVURJKSA-N 1 2 412.575 2.528 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NC[C@@H]3CCCCS3)CC2)C1 ZINC000807096391 1080275304 /nfs/dbraw/zinc/27/53/04/1080275304.db2.gz GJNRCTXKLGOIQU-SJORKVTESA-N 1 2 412.600 2.609 20 0 HFADLO CS[C@@H]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000807205804 1080354648 /nfs/dbraw/zinc/35/46/48/1080354648.db2.gz QSLCCYQSZGBRKL-FXAWDEMLSA-N 1 2 418.607 2.628 20 0 HFADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2cnc(C3OCCO3)s2)c2ccc(Cl)cc2)C1 ZINC000807180200 1080374537 /nfs/dbraw/zinc/37/45/37/1080374537.db2.gz ZKJWYZJWBHKHGZ-GDBMZVCRSA-N 1 2 423.922 2.644 20 0 HFADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2cnc(C3OCCO3)s2)c2ccc(Cl)cc2)C1 ZINC000807180200 1080374555 /nfs/dbraw/zinc/37/45/55/1080374555.db2.gz ZKJWYZJWBHKHGZ-GDBMZVCRSA-N 1 2 423.922 2.644 20 0 HFADLO CSC1(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCC1 ZINC000807187317 1080381244 /nfs/dbraw/zinc/38/12/44/1080381244.db2.gz BCUPKKWDSLZNAR-MRXNPFEDSA-N 1 2 412.600 2.609 20 0 HFADLO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1nccs1 ZINC000805278955 1080401920 /nfs/dbraw/zinc/40/19/20/1080401920.db2.gz LKJNUURMFPNHPU-CVEARBPZSA-N 1 2 423.583 2.583 20 0 HFADLO CCCOc1ccc(-c2nc(C(=O)N[C@H](Cn3cc[nH+]c3)C(=O)OC)cs2)cc1 ZINC000807280365 1080439862 /nfs/dbraw/zinc/43/98/62/1080439862.db2.gz GGDNNTDLTQXOFV-MRXNPFEDSA-N 1 2 414.487 2.767 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC34OCCO4)cc2Br)CC1 ZINC000807362542 1080524946 /nfs/dbraw/zinc/52/49/46/1080524946.db2.gz OFHFDMXIBHSYRX-HNNXBMFYSA-N 1 2 424.339 2.683 20 0 HFADLO O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000807487344 1080671357 /nfs/dbraw/zinc/67/13/57/1080671357.db2.gz BQDPUYLBLAEUQQ-KRWDZBQOSA-N 1 2 418.375 2.679 20 0 HFADLO COC[C@@]1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807551402 1080766495 /nfs/dbraw/zinc/76/64/95/1080766495.db2.gz SBQJEQABRPHICU-NRFANRHFSA-N 1 2 421.542 2.715 20 0 HFADLO COC[C@@]1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807551402 1080766501 /nfs/dbraw/zinc/76/65/01/1080766501.db2.gz SBQJEQABRPHICU-NRFANRHFSA-N 1 2 421.542 2.715 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000807521945 1080774667 /nfs/dbraw/zinc/77/46/67/1080774667.db2.gz QCDOYOYVIUSQHS-RBUKOAKNSA-N 1 2 403.885 2.965 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000807521945 1080774674 /nfs/dbraw/zinc/77/46/74/1080774674.db2.gz QCDOYOYVIUSQHS-RBUKOAKNSA-N 1 2 403.885 2.965 20 0 HFADLO C[C@H](CNC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000747400912 1080777734 /nfs/dbraw/zinc/77/77/34/1080777734.db2.gz PKCXZCDLDBWOLV-PUMYGXPMSA-N 1 2 403.446 2.580 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000807526141 1080778658 /nfs/dbraw/zinc/77/86/58/1080778658.db2.gz SINYJXWGCVSYCR-VQTJNVASSA-N 1 2 411.506 2.889 20 0 HFADLO COC[C@]1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554223 1080803803 /nfs/dbraw/zinc/80/38/03/1080803803.db2.gz RYBYQPMUHKBHHV-IIBYNOLFSA-N 1 2 421.542 2.715 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000807559978 1080814491 /nfs/dbraw/zinc/81/44/91/1080814491.db2.gz KFZXYRVCZAQYGE-AEFFLSMTSA-N 1 2 421.328 2.875 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000807559978 1080814503 /nfs/dbraw/zinc/81/45/03/1080814503.db2.gz KFZXYRVCZAQYGE-AEFFLSMTSA-N 1 2 421.328 2.875 20 0 HFADLO COc1ccc(Cn2cc(C[NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)nn2)cc1 ZINC001461205926 1126194117 /nfs/dbraw/zinc/19/41/17/1126194117.db2.gz UQLXUBRRYMQCDP-PMACEKPBSA-N 1 2 420.435 2.959 20 0 HFADLO COC(=O)[C@@]1(C)CCCN1c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164388334 718805007 /nfs/dbraw/zinc/80/50/07/718805007.db2.gz BSEKBEYBXAPRAN-XMMPIXPASA-N 1 2 422.529 2.572 20 0 HFADLO O=C(c1cccnc1N1CC[C@@H]2COC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164388521 718818268 /nfs/dbraw/zinc/81/82/68/718818268.db2.gz OVBDDPQUTLVBII-RTWAWAEBSA-N 1 2 406.530 2.512 20 0 HFADLO O=C(c1cccnc1N1CC[C@H]2COC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164388522 718818343 /nfs/dbraw/zinc/81/83/43/718818343.db2.gz OVBDDPQUTLVBII-SFTDATJTSA-N 1 2 406.530 2.512 20 0 HFADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC001164636301 719225669 /nfs/dbraw/zinc/22/56/69/719225669.db2.gz JRGFMXJPMVIBQA-CVEARBPZSA-N 1 2 404.536 2.810 20 0 HFADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC001164636301 719225670 /nfs/dbraw/zinc/22/56/70/719225670.db2.gz JRGFMXJPMVIBQA-CVEARBPZSA-N 1 2 404.536 2.810 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C)c4ccc(Cl)cc4n3)CC2)C1=O ZINC001164642134 719277405 /nfs/dbraw/zinc/27/74/05/719277405.db2.gz XAWPAFWTXIJUOJ-UHFFFAOYSA-N 1 2 416.953 2.956 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C)c4ccc(Cl)cc4n3)CC2)C1=O ZINC001164642134 719277406 /nfs/dbraw/zinc/27/74/06/719277406.db2.gz XAWPAFWTXIJUOJ-UHFFFAOYSA-N 1 2 416.953 2.956 20 0 HFADLO C[C@H]1C(=O)Nc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c21 ZINC001164673333 719512747 /nfs/dbraw/zinc/51/27/47/719512747.db2.gz ORHDSLIFPMKFPA-OAHLLOKOSA-N 1 2 411.481 2.543 20 0 HFADLO C[C@H]1C(=O)Nc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c21 ZINC001164673333 719512750 /nfs/dbraw/zinc/51/27/50/719512750.db2.gz ORHDSLIFPMKFPA-OAHLLOKOSA-N 1 2 411.481 2.543 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2cccc(Cl)c2n1 ZINC001164699397 719845812 /nfs/dbraw/zinc/84/58/12/719845812.db2.gz IGWHPVQFWJCMJZ-VLIAUNLRSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2ccsc21 ZINC001164703877 719846117 /nfs/dbraw/zinc/84/61/17/719846117.db2.gz QWQWNPZTIGKFHP-SGTLLEGYSA-N 1 2 410.927 2.577 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc2ccsc21 ZINC001164697763 719851844 /nfs/dbraw/zinc/85/18/44/719851844.db2.gz AKBVJFGZMJFXNJ-BFUOFWGJSA-N 1 2 422.576 2.646 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(C)cc2nc1Cl ZINC001164706849 719851854 /nfs/dbraw/zinc/85/18/54/719851854.db2.gz ZAQGPYGLAZJBBM-BTYIYWSLSA-N 1 2 418.925 2.824 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2nccc(Cl)c2n1 ZINC001164701188 719865103 /nfs/dbraw/zinc/86/51/03/719865103.db2.gz FSMPLQYPTVPNMW-VBKZILBWSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(C)nc(C2CC2)nc1Cl ZINC001164707949 719870732 /nfs/dbraw/zinc/87/07/32/719870732.db2.gz WQSDJCYHCWDULB-YWZLYKJASA-N 1 2 408.930 2.549 20 0 HFADLO CCc1nc(Cl)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(Cl)n1 ZINC001164707232 719871408 /nfs/dbraw/zinc/87/14/08/719871408.db2.gz RQBXJHMHBMWADD-XIKOKIGWSA-N 1 2 417.337 2.579 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2nc(Cl)cnc2cc1F ZINC001164707626 719871815 /nfs/dbraw/zinc/87/18/15/719871815.db2.gz UQEUEZVZPIVZGC-ZUOKHONESA-N 1 2 422.888 2.655 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc(C)n4)CC3)C2=O)cs1 ZINC001164825043 720357009 /nfs/dbraw/zinc/35/70/09/720357009.db2.gz IODOTRBILVBCNY-UHFFFAOYSA-N 1 2 420.970 2.517 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc(C)n4)CC3)C2=O)cs1 ZINC001164825043 720357017 /nfs/dbraw/zinc/35/70/17/720357017.db2.gz IODOTRBILVBCNY-UHFFFAOYSA-N 1 2 420.970 2.517 20 0 HFADLO FC(F)(COc1ccc(Cl)nn1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164759279 720979397 /nfs/dbraw/zinc/97/93/97/720979397.db2.gz ZOFRLYPHJBEYCX-AWEZNQCLSA-N 1 2 413.856 2.857 20 0 HFADLO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781107 721396633 /nfs/dbraw/zinc/39/66/33/721396633.db2.gz BPYUJWMZMLLZGP-TXEJJXNPSA-N 1 2 414.913 2.766 20 0 HFADLO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781107 721396638 /nfs/dbraw/zinc/39/66/38/721396638.db2.gz BPYUJWMZMLLZGP-TXEJJXNPSA-N 1 2 414.913 2.766 20 0 HFADLO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164780903 721427291 /nfs/dbraw/zinc/42/72/91/721427291.db2.gz BBTMILGUQBOCGJ-AOOOYVTPSA-N 1 2 411.869 2.528 20 0 HFADLO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164780903 721427292 /nfs/dbraw/zinc/42/72/92/721427292.db2.gz BBTMILGUQBOCGJ-AOOOYVTPSA-N 1 2 411.869 2.528 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccnc3)nc3c1CCC3)C2 ZINC001165011732 721717684 /nfs/dbraw/zinc/71/76/84/721717684.db2.gz STCJYYLQXWMUAS-UHFFFAOYSA-N 1 2 418.549 2.869 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccnc3)nc3c1CCC3)C2 ZINC001165011732 721717693 /nfs/dbraw/zinc/71/76/93/721717693.db2.gz STCJYYLQXWMUAS-UHFFFAOYSA-N 1 2 418.549 2.869 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(-c3nc(C4CC4)no3)ccn1)C2 ZINC001165011402 721718224 /nfs/dbraw/zinc/71/82/24/721718224.db2.gz PWFSJFJKHCBQOJ-UHFFFAOYSA-N 1 2 408.510 2.851 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(-c3nc(C4CC4)no3)ccn1)C2 ZINC001165011402 721718227 /nfs/dbraw/zinc/71/82/27/721718227.db2.gz PWFSJFJKHCBQOJ-UHFFFAOYSA-N 1 2 408.510 2.851 20 0 HFADLO COc1cccc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164912698 721775467 /nfs/dbraw/zinc/77/54/67/721775467.db2.gz OPTVZSZQUQRBBQ-DEOSSOPVSA-N 1 2 420.513 2.746 20 0 HFADLO COc1cccc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164912698 721775469 /nfs/dbraw/zinc/77/54/69/721775469.db2.gz OPTVZSZQUQRBBQ-DEOSSOPVSA-N 1 2 420.513 2.746 20 0 HFADLO CCOc1ccc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916347 721785499 /nfs/dbraw/zinc/78/54/99/721785499.db2.gz QBIYTLLVFYQXJZ-OAQYLSRUSA-N 1 2 418.925 2.637 20 0 HFADLO CCOc1ccc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916347 721785502 /nfs/dbraw/zinc/78/55/02/721785502.db2.gz QBIYTLLVFYQXJZ-OAQYLSRUSA-N 1 2 418.925 2.637 20 0 HFADLO COc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc2ccccc21 ZINC001164947733 721975934 /nfs/dbraw/zinc/97/59/34/721975934.db2.gz RRVBVXREDYFMKX-UHFFFAOYSA-N 1 2 417.513 2.609 20 0 HFADLO COc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc2ccccc21 ZINC001164947733 721975936 /nfs/dbraw/zinc/97/59/36/721975936.db2.gz RRVBVXREDYFMKX-UHFFFAOYSA-N 1 2 417.513 2.609 20 0 HFADLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCCC[C@@H]2COC(=O)N2CCCC2)c1 ZINC001170139233 1078051041 /nfs/dbraw/zinc/05/10/41/1078051041.db2.gz IQQSBWPSRLYNBP-QGZVFWFLSA-N 1 2 410.536 2.556 20 0 HFADLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCCC[C@@H]2COC(=O)N2CCCC2)c1 ZINC001170139233 1078051039 /nfs/dbraw/zinc/05/10/39/1078051039.db2.gz IQQSBWPSRLYNBP-QGZVFWFLSA-N 1 2 410.536 2.556 20 0 HFADLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c3nnnn3C3CC3)ccc2c1 ZINC000790555955 1078055080 /nfs/dbraw/zinc/05/50/80/1078055080.db2.gz URBGTPRWHWWTMN-HUUCEWRRSA-N 1 2 408.506 2.868 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3C[C@]4(CCOC4)OC(C)(C)C3)CC2)cc1 ZINC000793057606 1078068222 /nfs/dbraw/zinc/06/82/22/1078068222.db2.gz GOMXEHUTCXSYSG-QHCPKHFHSA-N 1 2 416.566 2.701 20 0 HFADLO O=C(C[C@@H]1CCCOC1)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000793101810 1078077037 /nfs/dbraw/zinc/07/70/37/1078077037.db2.gz KUVFMRVWEPFYTL-IBGZPJMESA-N 1 2 412.509 2.980 20 0 HFADLO O=C(C[C@H]1CCCOC1)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000793101814 1078077053 /nfs/dbraw/zinc/07/70/53/1078077053.db2.gz KUVFMRVWEPFYTL-LJQANCHMSA-N 1 2 412.509 2.980 20 0 HFADLO COc1ccccc1[C@H](CNC(=O)CCc1c[nH+]cn1C)NC(=O)OC(C)(C)C ZINC000793117065 1078083708 /nfs/dbraw/zinc/08/37/08/1078083708.db2.gz NUJOXECAICXUGZ-KRWDZBQOSA-N 1 2 402.495 2.744 20 0 HFADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCCc2ccc(Cl)s2)CC1 ZINC000790715846 1078106437 /nfs/dbraw/zinc/10/64/37/1078106437.db2.gz XUBGGJMLFOVXSD-UHFFFAOYSA-N 1 2 422.016 2.532 20 0 HFADLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)c1nnnn1C1CC1 ZINC000790717994 1078107515 /nfs/dbraw/zinc/10/75/15/1078107515.db2.gz MDEDWSURLDNWED-ZDUSSCGKSA-N 1 2 423.443 2.615 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000793249811 1078109952 /nfs/dbraw/zinc/10/99/52/1078109952.db2.gz CPUCKKKOJHXUIP-UHFFFAOYSA-N 1 2 411.911 2.648 20 0 HFADLO Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)OCCc1c[nH+]cn1C ZINC000793252990 1078111098 /nfs/dbraw/zinc/11/10/98/1078111098.db2.gz UTVGGWFEPOEBRN-UHFFFAOYSA-N 1 2 407.396 2.965 20 0 HFADLO C[C@@H](NS(=O)(=O)c1cccc(C(=O)OCCc2c[nH+]cn2C)c1)c1ccccc1 ZINC000793238499 1078117364 /nfs/dbraw/zinc/11/73/64/1078117364.db2.gz ORSFAMWWYAHHNP-MRXNPFEDSA-N 1 2 413.499 2.859 20 0 HFADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000793408907 1078158251 /nfs/dbraw/zinc/15/82/51/1078158251.db2.gz HHNUGNJDEOBDSQ-QGZVFWFLSA-N 1 2 403.527 2.876 20 0 HFADLO CN(CC1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000793427131 1078179040 /nfs/dbraw/zinc/17/90/40/1078179040.db2.gz VTGAVMRZFBNEIP-IBGZPJMESA-N 1 2 409.571 2.735 20 0 HFADLO CN(CC1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000793427131 1078179042 /nfs/dbraw/zinc/17/90/42/1078179042.db2.gz VTGAVMRZFBNEIP-IBGZPJMESA-N 1 2 409.571 2.735 20 0 HFADLO COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000793597420 1078219935 /nfs/dbraw/zinc/21/99/35/1078219935.db2.gz KUTVIPFIHGLKPL-JOCHJYFZSA-N 1 2 423.542 2.826 20 0 HFADLO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000793597420 1078219938 /nfs/dbraw/zinc/21/99/38/1078219938.db2.gz KUTVIPFIHGLKPL-JOCHJYFZSA-N 1 2 423.542 2.826 20 0 HFADLO COC(=O)CCc1c(C)nc2c(c(=O)n(C[NH+]3CCC(C4CC4)CC3)n2C)c1C ZINC000793633009 1078235044 /nfs/dbraw/zinc/23/50/44/1078235044.db2.gz YFXSWMLQZPUVDS-UHFFFAOYSA-N 1 2 400.523 2.537 20 0 HFADLO COc1ccc(F)c2[nH]c(C(=O)N3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)cc21 ZINC000793638500 1078237660 /nfs/dbraw/zinc/23/76/60/1078237660.db2.gz NLBCLPLCBYSNIL-CYBMUJFWSA-N 1 2 420.485 2.597 20 0 HFADLO COc1ccc(F)c2[nH]c(C(=O)N3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)cc21 ZINC000793638500 1078237662 /nfs/dbraw/zinc/23/76/62/1078237662.db2.gz NLBCLPLCBYSNIL-CYBMUJFWSA-N 1 2 420.485 2.597 20 0 HFADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)c2ccc(Cl)cc2)C1 ZINC000793674509 1078250387 /nfs/dbraw/zinc/25/03/87/1078250387.db2.gz KASNVCJGLBQTGX-OAHLLOKOSA-N 1 2 402.926 2.874 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000793673419 1078249083 /nfs/dbraw/zinc/24/90/83/1078249083.db2.gz KTSSCPDMXKPJIL-SCLBCKFNSA-N 1 2 405.401 2.567 20 0 HFADLO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000793655467 1078258993 /nfs/dbraw/zinc/25/89/93/1078258993.db2.gz JBEVRVGVWSNVOZ-VHKYSDTDSA-N 1 2 415.921 2.571 20 0 HFADLO C[C@H](O)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000793655467 1078258996 /nfs/dbraw/zinc/25/89/96/1078258996.db2.gz JBEVRVGVWSNVOZ-VHKYSDTDSA-N 1 2 415.921 2.571 20 0 HFADLO Cc1ccccc1C[C@H](C)NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000793683610 1078254782 /nfs/dbraw/zinc/25/47/82/1078254782.db2.gz XWIWYLJSUWXBAJ-IBGZPJMESA-N 1 2 422.573 2.893 20 0 HFADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000793721614 1078266274 /nfs/dbraw/zinc/26/62/74/1078266274.db2.gz YSDPARFYXQMEBD-HKUYNNGSSA-N 1 2 424.526 2.665 20 0 HFADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000793736508 1078285013 /nfs/dbraw/zinc/28/50/13/1078285013.db2.gz XHIGQZITNRGFJP-INIZCTEOSA-N 1 2 402.451 2.579 20 0 HFADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000793736508 1078285020 /nfs/dbraw/zinc/28/50/20/1078285020.db2.gz XHIGQZITNRGFJP-INIZCTEOSA-N 1 2 402.451 2.579 20 0 HFADLO O=C(CCCOc1ccccc1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000793789241 1078297060 /nfs/dbraw/zinc/29/70/60/1078297060.db2.gz ZRBJEOWPGCSMJE-UHFFFAOYSA-N 1 2 402.516 2.795 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000793804949 1078304634 /nfs/dbraw/zinc/30/46/34/1078304634.db2.gz BMVCTSRHQZTFEX-QYZOEREBSA-N 1 2 407.555 2.630 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000793804949 1078304641 /nfs/dbraw/zinc/30/46/41/1078304641.db2.gz BMVCTSRHQZTFEX-QYZOEREBSA-N 1 2 407.555 2.630 20 0 HFADLO CN(C)c1cc[nH+]c(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)c1 ZINC000793807249 1078305549 /nfs/dbraw/zinc/30/55/49/1078305549.db2.gz FUFDSTWARKKLHB-HDICACEKSA-N 1 2 405.458 2.678 20 0 HFADLO C[C@H](NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)c1nc2ccccc2s1 ZINC000793859885 1078325950 /nfs/dbraw/zinc/32/59/50/1078325950.db2.gz HGVFNJCLLLIXBX-ZDUSSCGKSA-N 1 2 414.556 2.710 20 0 HFADLO C[C@H](NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)c1nc2ccccc2s1 ZINC000793859885 1078325953 /nfs/dbraw/zinc/32/59/53/1078325953.db2.gz HGVFNJCLLLIXBX-ZDUSSCGKSA-N 1 2 414.556 2.710 20 0 HFADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)C3=C(C)CCC3)CC2)cc1OC ZINC000747153116 1078326122 /nfs/dbraw/zinc/32/61/22/1078326122.db2.gz SKQNRKCPWYVBGJ-UHFFFAOYSA-N 1 2 416.518 2.700 20 0 HFADLO C[C@@H](SCc1cc(Br)no1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000793965814 1078348895 /nfs/dbraw/zinc/34/88/95/1078348895.db2.gz UBGNFYXYMIRTNK-GFCCVEGCSA-N 1 2 411.325 2.803 20 0 HFADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1 ZINC000747171404 1078361897 /nfs/dbraw/zinc/36/18/97/1078361897.db2.gz INXUDQHJJCPYAG-LBPRGKRZSA-N 1 2 410.927 2.722 20 0 HFADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000794208608 1078393557 /nfs/dbraw/zinc/39/35/57/1078393557.db2.gz VCHWATSWIVUAKC-GOSISDBHSA-N 1 2 406.421 2.583 20 0 HFADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804438674 1078476368 /nfs/dbraw/zinc/47/63/68/1078476368.db2.gz QYWLZOCSEAZLOO-GIVPXCGWSA-N 1 2 417.550 2.649 20 0 HFADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804438679 1078476377 /nfs/dbraw/zinc/47/63/77/1078476377.db2.gz QYWLZOCSEAZLOO-NRSPTQNISA-N 1 2 417.550 2.649 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000804440201 1078504438 /nfs/dbraw/zinc/50/44/38/1078504438.db2.gz VGELHELVXCDKGE-GDBMZVCRSA-N 1 2 405.495 2.674 20 0 HFADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2nn(-c3ccccc3Cl)cc2C)CC1 ZINC001129808542 1078506640 /nfs/dbraw/zinc/50/66/40/1078506640.db2.gz YPWSHPNZRWCWKD-UHFFFAOYSA-N 1 2 403.958 2.980 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)CC1 ZINC001129823264 1078518418 /nfs/dbraw/zinc/51/84/18/1078518418.db2.gz VDLJBDQFHNMAJZ-UHFFFAOYSA-N 1 2 403.910 2.821 20 0 HFADLO FC(F)[C@H]1CN(c2cc(N3CCO[C@H](C(F)F)C3)[nH+]c3cnccc32)CCO1 ZINC000804694012 1078534329 /nfs/dbraw/zinc/53/43/29/1078534329.db2.gz LDCZCNFPJKTQPX-CABCVRRESA-N 1 2 400.376 2.570 20 0 HFADLO CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC001129856955 1078536843 /nfs/dbraw/zinc/53/68/43/1078536843.db2.gz BBTOQGVVRMEEBO-UHFFFAOYSA-N 1 2 407.518 2.959 20 0 HFADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3CCN(C(=O)OC)CC3)c2C1 ZINC000804687394 1078548628 /nfs/dbraw/zinc/54/86/28/1078548628.db2.gz YFAOUJYQWCSMBZ-UHFFFAOYSA-N 1 2 410.518 2.821 20 0 HFADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3CCN(C(=O)OC)CC3)c2C1 ZINC000804687394 1078548636 /nfs/dbraw/zinc/54/86/36/1078548636.db2.gz YFAOUJYQWCSMBZ-UHFFFAOYSA-N 1 2 410.518 2.821 20 0 HFADLO Cc1cccnc1/C=C/C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760236 1078610012 /nfs/dbraw/zinc/61/00/12/1078610012.db2.gz IEOJWUUTVNCEHJ-LKGOPFMKSA-N 1 2 400.523 2.557 20 0 HFADLO CC(=O)c1ccc(CC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000804760140 1078610063 /nfs/dbraw/zinc/61/00/63/1078610063.db2.gz KFSUEHFNUFEFJO-HXUWFJFHSA-N 1 2 415.534 2.585 20 0 HFADLO Cc1nc(-c2cccs2)ccc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001129670396 1078629612 /nfs/dbraw/zinc/62/96/12/1078629612.db2.gz YMEMKUSEQGQVKD-UHFFFAOYSA-N 1 2 401.532 2.730 20 0 HFADLO Cc1cc(C)c(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)c[nH+]1 ZINC001129713851 1078669098 /nfs/dbraw/zinc/66/90/98/1078669098.db2.gz HZTQSGAKBOAJEH-QGZVFWFLSA-N 1 2 400.866 2.873 20 0 HFADLO CCN(C)C(=O)[C@@H]([NH2+]Cc1csc(CN2C(=O)c3ccccc3C2=O)n1)C(C)C ZINC001170459229 1078673888 /nfs/dbraw/zinc/67/38/88/1078673888.db2.gz CRURMHBSORHCFE-SFHVURJKSA-N 1 2 414.531 2.532 20 0 HFADLO Cc1cc(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)nc(-c2ccncc2)n1 ZINC000804833654 1078673959 /nfs/dbraw/zinc/67/39/59/1078673959.db2.gz FNBCYBWQCXTVRF-LJQANCHMSA-N 1 2 424.549 2.978 20 0 HFADLO Cc1noc(-c2ccc(N3CC[C@H]([NH+]4CCN(C(=O)OC(C)(C)C)CC4)C3)nc2)n1 ZINC000804834118 1078675916 /nfs/dbraw/zinc/67/59/16/1078675916.db2.gz XWBQVJMATYKQPM-KRWDZBQOSA-N 1 2 414.510 2.571 20 0 HFADLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC001129726710 1078676546 /nfs/dbraw/zinc/67/65/46/1078676546.db2.gz GCRQITXUFPQXNQ-NRFANRHFSA-N 1 2 408.498 2.981 20 0 HFADLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000804630134 1078682840 /nfs/dbraw/zinc/68/28/40/1078682840.db2.gz YWTZTSCHIQEBBO-FZKQIMNGSA-N 1 2 424.476 2.516 20 0 HFADLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000804630134 1078682845 /nfs/dbraw/zinc/68/28/45/1078682845.db2.gz YWTZTSCHIQEBBO-FZKQIMNGSA-N 1 2 424.476 2.516 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCCc3cccc(F)c3)C2)CC1 ZINC000804873027 1078695446 /nfs/dbraw/zinc/69/54/46/1078695446.db2.gz ZWSVFWQJCCDNSZ-IBGZPJMESA-N 1 2 420.529 2.705 20 0 HFADLO C[C@@H](CCc1ccco1)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804870607 1078693393 /nfs/dbraw/zinc/69/33/93/1078693393.db2.gz FFSYYYHAQJTDPX-ZWKOTPCHSA-N 1 2 420.554 2.937 20 0 HFADLO C[C@@H]1CN(c2cc(Br)cnc2Br)CC[N@@H+]1CC(C)(C)O ZINC000804632931 1078711484 /nfs/dbraw/zinc/71/14/84/1078711484.db2.gz DVIVEXLOJMWWFC-SNVBAGLBSA-N 1 2 407.150 2.888 20 0 HFADLO C[C@@H]1CN(c2cc(Br)cnc2Br)CC[N@H+]1CC(C)(C)O ZINC000804632931 1078711487 /nfs/dbraw/zinc/71/14/87/1078711487.db2.gz DVIVEXLOJMWWFC-SNVBAGLBSA-N 1 2 407.150 2.888 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCCc4occc43)C2)CC1 ZINC000804907075 1078730359 /nfs/dbraw/zinc/73/03/59/1078730359.db2.gz WBEIFPZEQHPOLI-AEFFLSMTSA-N 1 2 418.538 2.994 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCCCOC3CCCC3)C2)CC1 ZINC000805027714 1078839773 /nfs/dbraw/zinc/83/97/73/1078839773.db2.gz QNHRUTFSDIHOIR-SFHVURJKSA-N 1 2 424.586 2.672 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(Br)cc1F ZINC000805091980 1078917577 /nfs/dbraw/zinc/91/75/77/1078917577.db2.gz UAPJTJBEKBQXGR-BBRMVZONSA-N 1 2 414.319 2.635 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000805153453 1078948502 /nfs/dbraw/zinc/94/85/02/1078948502.db2.gz AZVIPMZWEIERHA-YDZRNGNQSA-N 1 2 424.586 2.575 20 0 HFADLO Cc1nc(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)sc1C ZINC000805164441 1078955356 /nfs/dbraw/zinc/95/53/56/1078955356.db2.gz WZRZQGPBWDVWJW-INIZCTEOSA-N 1 2 423.583 2.597 20 0 HFADLO C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 ZINC000805171198 1078958113 /nfs/dbraw/zinc/95/81/13/1078958113.db2.gz JPSOLVAYMDGYLW-HKUYNNGSSA-N 1 2 417.554 2.522 20 0 HFADLO CCc1cccc2c(CCNC(=O)C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)c[nH]c21 ZINC000805195517 1078970294 /nfs/dbraw/zinc/97/02/94/1078970294.db2.gz SRNOLWVNQIDCAR-GOSISDBHSA-N 1 2 407.518 2.529 20 0 HFADLO CCOCCC1(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000805225503 1079000315 /nfs/dbraw/zinc/00/03/15/1079000315.db2.gz IQXDKSFXYCVJGB-SFHVURJKSA-N 1 2 424.586 2.530 20 0 HFADLO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000747238505 1079028635 /nfs/dbraw/zinc/02/86/35/1079028635.db2.gz FGMLZMORJMIVBD-KKTNHOPESA-N 1 2 420.556 2.659 20 0 HFADLO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000747238505 1079028642 /nfs/dbraw/zinc/02/86/42/1079028642.db2.gz FGMLZMORJMIVBD-KKTNHOPESA-N 1 2 420.556 2.659 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)N[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000805314162 1079033356 /nfs/dbraw/zinc/03/33/56/1079033356.db2.gz LMUJLFDPYCLPKJ-KKSFZXQISA-N 1 2 403.527 2.631 20 0 HFADLO COC1(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCCC1 ZINC000805380408 1079053206 /nfs/dbraw/zinc/05/32/06/1079053206.db2.gz OZVORCVIDCZHMY-GOSISDBHSA-N 1 2 424.586 2.672 20 0 HFADLO O=C(NC[C@@H]1CCC=CO1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000805497551 1079106168 /nfs/dbraw/zinc/10/61/68/1079106168.db2.gz MGEXPBMNBDFUIJ-QFIPXVFZSA-N 1 2 419.525 2.729 20 0 HFADLO CC(C)c1cc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)n(Cc2ccccc2)n1 ZINC001130312600 1079207283 /nfs/dbraw/zinc/20/72/83/1079207283.db2.gz QWJLLFHDVLXJID-CTNGQTDRSA-N 1 2 412.534 2.873 20 0 HFADLO Cc1cccc(C)c1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000805679893 1079216712 /nfs/dbraw/zinc/21/67/12/1079216712.db2.gz RLKUXFXXWZQZJI-UXHICEINSA-N 1 2 401.457 2.759 20 0 HFADLO Cc1cccc(C)c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000805679893 1079216719 /nfs/dbraw/zinc/21/67/19/1079216719.db2.gz RLKUXFXXWZQZJI-UXHICEINSA-N 1 2 401.457 2.759 20 0 HFADLO O=C(C[N@@H+]1CC[C@H](OCc2ccncc2)C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000805753008 1079231476 /nfs/dbraw/zinc/23/14/76/1079231476.db2.gz LVNSPYCYTUYOAN-FQEVSTJZSA-N 1 2 422.529 2.984 20 0 HFADLO O=C(C[N@H+]1CC[C@H](OCc2ccncc2)C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000805753008 1079231482 /nfs/dbraw/zinc/23/14/82/1079231482.db2.gz LVNSPYCYTUYOAN-FQEVSTJZSA-N 1 2 422.529 2.984 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000805775587 1079248042 /nfs/dbraw/zinc/24/80/42/1079248042.db2.gz GUCNMAOHOYDPAO-QGZVFWFLSA-N 1 2 404.511 2.942 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000805775587 1079248047 /nfs/dbraw/zinc/24/80/47/1079248047.db2.gz GUCNMAOHOYDPAO-QGZVFWFLSA-N 1 2 404.511 2.942 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000805775065 1079248435 /nfs/dbraw/zinc/24/84/35/1079248435.db2.gz BJHFDAQFPRMRPW-KRWDZBQOSA-N 1 2 418.538 2.754 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC(C)C ZINC000805775065 1079248440 /nfs/dbraw/zinc/24/84/40/1079248440.db2.gz BJHFDAQFPRMRPW-KRWDZBQOSA-N 1 2 418.538 2.754 20 0 HFADLO CC(C)(C)OC(=O)NCCC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CCCC1 ZINC000805777992 1079249270 /nfs/dbraw/zinc/24/92/70/1079249270.db2.gz QXQWOLBTLCBPPH-UHFFFAOYSA-N 1 2 403.527 2.930 20 0 HFADLO CC(C)(C)OC(=O)NCCC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CCCC1 ZINC000805777992 1079249275 /nfs/dbraw/zinc/24/92/75/1079249275.db2.gz QXQWOLBTLCBPPH-UHFFFAOYSA-N 1 2 403.527 2.930 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000805761918 1079264067 /nfs/dbraw/zinc/26/40/67/1079264067.db2.gz AAGKGZWLLCFQDN-QGZVFWFLSA-N 1 2 405.495 2.729 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000805761918 1079264071 /nfs/dbraw/zinc/26/40/71/1079264071.db2.gz AAGKGZWLLCFQDN-QGZVFWFLSA-N 1 2 405.495 2.729 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1CCC(=O)NC(C)C ZINC000805828852 1079298918 /nfs/dbraw/zinc/29/89/18/1079298918.db2.gz CDKLDTAMTGVXMU-YJBOKZPZSA-N 1 2 415.456 2.794 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1CCC(=O)NC(C)C ZINC000805828852 1079298921 /nfs/dbraw/zinc/29/89/21/1079298921.db2.gz CDKLDTAMTGVXMU-YJBOKZPZSA-N 1 2 415.456 2.794 20 0 HFADLO Cc1nc(C[NH+]2CCC(C(=O)OCC3CCN(c4cnccn4)CC3)CC2)cs1 ZINC000805931374 1079360712 /nfs/dbraw/zinc/36/07/12/1079360712.db2.gz IARFUOHEVCMMKT-UHFFFAOYSA-N 1 2 415.563 2.913 20 0 HFADLO C[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1Br)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472040 1079398547 /nfs/dbraw/zinc/39/85/47/1079398547.db2.gz LAGDWNOEGJMHSJ-SOUVJXGZSA-N 1 2 421.339 2.862 20 0 HFADLO C[C@@H](CNC(=O)c1cnn(-c2ccccc2)c1Br)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130472040 1079398555 /nfs/dbraw/zinc/39/85/55/1079398555.db2.gz LAGDWNOEGJMHSJ-SOUVJXGZSA-N 1 2 421.339 2.862 20 0 HFADLO C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)[C@H](C)C1 ZINC000806192396 1079483120 /nfs/dbraw/zinc/48/31/20/1079483120.db2.gz SUEOFEQWVBGSAJ-LZJOCLMNSA-N 1 2 400.567 2.779 20 0 HFADLO COC(=O)N1CCC(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000806213607 1079497650 /nfs/dbraw/zinc/49/76/50/1079497650.db2.gz VCDCBIAVSCNTEJ-CALCHBBNSA-N 1 2 418.538 2.896 20 0 HFADLO COC(=O)N1CCC(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000806213607 1079497652 /nfs/dbraw/zinc/49/76/52/1079497652.db2.gz VCDCBIAVSCNTEJ-CALCHBBNSA-N 1 2 418.538 2.896 20 0 HFADLO COC(=O)c1cn(C2CC[NH+](Cc3ccc(Cl)nc3C(F)(F)F)CC2)nn1 ZINC000787304720 1076752375 /nfs/dbraw/zinc/75/23/75/1076752375.db2.gz WULPSRFVEYVHKR-UHFFFAOYSA-N 1 2 403.792 2.969 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)n[nH]2)C1 ZINC000787313321 1076759017 /nfs/dbraw/zinc/75/90/17/1076759017.db2.gz AFGROPSXHGJQGZ-CVEARBPZSA-N 1 2 414.510 2.808 20 0 HFADLO CCc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cnn1C ZINC000787380461 1076780689 /nfs/dbraw/zinc/78/06/89/1076780689.db2.gz CVERYDXRDGMCQO-UHFFFAOYSA-N 1 2 406.328 2.749 20 0 HFADLO COC(=O)c1coc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1 ZINC000787384785 1076802811 /nfs/dbraw/zinc/80/28/11/1076802811.db2.gz VEGQXSCDJWHOPQ-UHFFFAOYSA-N 1 2 422.279 2.833 20 0 HFADLO CCNC(=O)Nc1ccc(C)c(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000787473525 1076835618 /nfs/dbraw/zinc/83/56/18/1076835618.db2.gz NTQOSLYCEFDGSO-UHFFFAOYSA-N 1 2 420.473 2.577 20 0 HFADLO Cn1c(SCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nnc1-c1cccnc1 ZINC000787487944 1076844313 /nfs/dbraw/zinc/84/43/13/1076844313.db2.gz MCGMXYYUYHTRER-UHFFFAOYSA-N 1 2 404.540 2.522 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCc4c[nH]nc4C3)cc2Br)CC1 ZINC000787532117 1076850559 /nfs/dbraw/zinc/85/05/59/1076850559.db2.gz FPPFBIIGQKZXJN-ZDUSSCGKSA-N 1 2 418.339 2.668 20 0 HFADLO Cc1n[nH]c(=O)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1C ZINC000787535945 1076851871 /nfs/dbraw/zinc/85/18/71/1076851871.db2.gz LSHSOSCKCXZGBC-UHFFFAOYSA-N 1 2 420.311 2.566 20 0 HFADLO CN(C)c1ncccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787670329 1076905501 /nfs/dbraw/zinc/90/55/01/1076905501.db2.gz MSPLATCUSCHGKT-UHFFFAOYSA-N 1 2 418.339 2.914 20 0 HFADLO C[N@H+](Cc1nc2ccsc2c(=O)[nH]1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787729391 1076932907 /nfs/dbraw/zinc/93/29/07/1076932907.db2.gz IYXBZDZVDXTHOZ-ORAYPTAESA-N 1 2 408.524 2.589 20 0 HFADLO C[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000787729391 1076932909 /nfs/dbraw/zinc/93/29/09/1076932909.db2.gz IYXBZDZVDXTHOZ-ORAYPTAESA-N 1 2 408.524 2.589 20 0 HFADLO CC[C@@H](NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1OC(F)F ZINC000787868562 1076987374 /nfs/dbraw/zinc/98/73/74/1076987374.db2.gz JAQWUBKRZOMLIF-GOEBONIOSA-N 1 2 420.460 2.995 20 0 HFADLO CCn1c(=S)n(C[N@@H+]2CCC[C@H]2Cc2ccccc2OC)nc1N1CCOCC1 ZINC000746714708 1077002261 /nfs/dbraw/zinc/00/22/61/1077002261.db2.gz XWXWPCJDJQYSHY-SFHVURJKSA-N 1 2 417.579 2.944 20 0 HFADLO CCn1c(=S)n(C[N@H+]2CCC[C@H]2Cc2ccccc2OC)nc1N1CCOCC1 ZINC000746714708 1077002268 /nfs/dbraw/zinc/00/22/68/1077002268.db2.gz XWXWPCJDJQYSHY-SFHVURJKSA-N 1 2 417.579 2.944 20 0 HFADLO CCN(CC)C(=O)C1CC[NH+](CN2C(=O)N[C@@](C)(c3cccc(Cl)c3)C2=O)CC1 ZINC000746712081 1077003823 /nfs/dbraw/zinc/00/38/23/1077003823.db2.gz MBIPWTGTLHKZHV-NRFANRHFSA-N 1 2 420.941 2.645 20 0 HFADLO COCN1C(=O)CCc2cc(NC(=O)[C@H](C(C)C)[NH+]3C[C@@H](C)O[C@H](C)C3)ccc21 ZINC000787944036 1077005236 /nfs/dbraw/zinc/00/52/36/1077005236.db2.gz DDUVPNGTTYYJFB-ZOCZFRKYSA-N 1 2 403.523 2.642 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CC(=O)NCCOc2ccccc2)C1 ZINC000787994309 1077021806 /nfs/dbraw/zinc/02/18/06/1077021806.db2.gz GDZOBSNVHLUSBG-JOCHJYFZSA-N 1 2 403.523 2.657 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CC(=O)NCCOc2ccccc2)C1 ZINC000787994309 1077021811 /nfs/dbraw/zinc/02/18/11/1077021811.db2.gz GDZOBSNVHLUSBG-JOCHJYFZSA-N 1 2 403.523 2.657 20 0 HFADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)cc1F ZINC000788003722 1077025393 /nfs/dbraw/zinc/02/53/93/1077025393.db2.gz JJXKOXXSJYDYEB-HNNXBMFYSA-N 1 2 409.502 2.813 20 0 HFADLO NC(=O)C1CCN(c2cc(NCC[C@@H]3CCc4ccc5c(c43)CCO5)[nH+]cn2)CC1 ZINC001170083030 1077082506 /nfs/dbraw/zinc/08/25/06/1077082506.db2.gz STHVURLTNJMSEE-INIZCTEOSA-N 1 2 407.518 2.645 20 0 HFADLO NC(=O)C1CCN(c2cc(NCC[C@@H]3CCc4ccc5c(c43)CCO5)nc[nH+]2)CC1 ZINC001170083030 1077082510 /nfs/dbraw/zinc/08/25/10/1077082510.db2.gz STHVURLTNJMSEE-INIZCTEOSA-N 1 2 407.518 2.645 20 0 HFADLO CC1=C(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)[C@H](C)n2ncnc2N1C ZINC000788271867 1077094650 /nfs/dbraw/zinc/09/46/50/1077094650.db2.gz YLRCUPUREWGWAY-JSGCOSHPSA-N 1 2 401.540 2.890 20 0 HFADLO CC1=C(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)[C@H](C)n2ncnc2N1C ZINC000788271867 1077094656 /nfs/dbraw/zinc/09/46/56/1077094656.db2.gz YLRCUPUREWGWAY-JSGCOSHPSA-N 1 2 401.540 2.890 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)NCc1ccccc1N1CCCCC1 ZINC000788310682 1077115552 /nfs/dbraw/zinc/11/55/52/1077115552.db2.gz LMNSEWOVTOWASA-UHFFFAOYSA-N 1 2 417.513 2.795 20 0 HFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)NCCSC(C)(C)C ZINC000788363172 1077126830 /nfs/dbraw/zinc/12/68/30/1077126830.db2.gz IGFDZOPPURAHIH-UHFFFAOYSA-N 1 2 406.596 2.794 20 0 HFADLO O=C1C(=O)N(C[NH+]2CCC(F)(c3ccccc3)CC2)C(=O)N1Cc1cccs1 ZINC000788371739 1077131130 /nfs/dbraw/zinc/13/11/30/1077131130.db2.gz GAKWAPRDZACXEC-UHFFFAOYSA-N 1 2 401.463 2.957 20 0 HFADLO O=c1n(Cc2ccccc2)c2ccncc2n1CN1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788381407 1077136796 /nfs/dbraw/zinc/13/67/96/1077136796.db2.gz VSWQPBZIEOBKQO-HXUWFJFHSA-N 1 2 401.470 2.752 20 0 HFADLO C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000788381425 1077136833 /nfs/dbraw/zinc/13/68/33/1077136833.db2.gz WLRWCYOMGOYJSF-QRWLVFNGSA-N 1 2 418.856 2.752 20 0 HFADLO O[C@H](Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1)c1ccc(F)cc1Cl ZINC000788425685 1077142519 /nfs/dbraw/zinc/14/25/19/1077142519.db2.gz JDFSSOXKYVMWOC-RTBURBONSA-N 1 2 417.872 2.773 20 0 HFADLO O[C@H](Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)c1ccc(F)cc1Cl ZINC000788425685 1077142521 /nfs/dbraw/zinc/14/25/21/1077142521.db2.gz JDFSSOXKYVMWOC-RTBURBONSA-N 1 2 417.872 2.773 20 0 HFADLO CC(C)CNS(=O)(=O)c1cc(C(=O)NC2C[NH+](C(C)C)C2)c(Cl)cc1Cl ZINC000788603140 1077220401 /nfs/dbraw/zinc/22/04/01/1077220401.db2.gz XKEHYNINWXHWCI-UHFFFAOYSA-N 1 2 422.378 2.750 20 0 HFADLO COc1ccc(CCS(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc1 ZINC000788680790 1077248957 /nfs/dbraw/zinc/24/89/57/1077248957.db2.gz CVXFTUPACRVTRW-FQEVSTJZSA-N 1 2 420.600 2.775 20 0 HFADLO COc1ccc(CCS(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000788680790 1077248963 /nfs/dbraw/zinc/24/89/63/1077248963.db2.gz CVXFTUPACRVTRW-FQEVSTJZSA-N 1 2 420.600 2.775 20 0 HFADLO COC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000788703120 1077264204 /nfs/dbraw/zinc/26/42/04/1077264204.db2.gz PPQZYVNDDIXSAQ-UHFFFAOYSA-N 1 2 418.519 2.966 20 0 HFADLO COc1ccc2nc(Cl)c(C(=O)Nc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)cc2c1 ZINC000791027344 1077275253 /nfs/dbraw/zinc/27/52/53/1077275253.db2.gz GXSCXJZOFXZLMH-UHFFFAOYSA-N 1 2 424.888 2.993 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)/C=C/c2ccccc2Br)C[C@H](C)O1 ZINC000788697477 1077275182 /nfs/dbraw/zinc/27/51/82/1077275182.db2.gz PFAIAARJZJJJCH-OGQTVDGUSA-N 1 2 417.369 2.791 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)/C=C/c2ccccc2Br)C[C@H](C)O1 ZINC000788697477 1077275187 /nfs/dbraw/zinc/27/51/87/1077275187.db2.gz PFAIAARJZJJJCH-OGQTVDGUSA-N 1 2 417.369 2.791 20 0 HFADLO COc1ccc2nc(Cl)c(C(=O)Nc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)cc2c1 ZINC000791027344 1077275259 /nfs/dbraw/zinc/27/52/59/1077275259.db2.gz GXSCXJZOFXZLMH-UHFFFAOYSA-N 1 2 424.888 2.993 20 0 HFADLO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000788772457 1077277789 /nfs/dbraw/zinc/27/77/89/1077277789.db2.gz UEXJAFJEGKTPFQ-WIYYLYMNSA-N 1 2 408.498 2.873 20 0 HFADLO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000788772457 1077277793 /nfs/dbraw/zinc/27/77/93/1077277793.db2.gz UEXJAFJEGKTPFQ-WIYYLYMNSA-N 1 2 408.498 2.873 20 0 HFADLO CCO[C@@H]1C[C@@](O)(CNC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1(C)C ZINC000788801270 1077292377 /nfs/dbraw/zinc/29/23/77/1077292377.db2.gz PIHNKBCFRPTZIH-NFBKMPQASA-N 1 2 418.582 2.587 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)c1C ZINC000791091340 1077297556 /nfs/dbraw/zinc/29/75/56/1077297556.db2.gz FBHHOAYKKLNBQR-UHFFFAOYSA-N 1 2 411.462 2.864 20 0 HFADLO COC(=O)N1CCN(c2cc[nH+]cc2NS(=O)(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000791109715 1077300678 /nfs/dbraw/zinc/30/06/78/1077300678.db2.gz NOEQIBPYWGKFPH-UHFFFAOYSA-N 1 2 424.910 2.733 20 0 HFADLO CC(=O)N1C[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)Oc2ccccc21 ZINC000788836561 1077315325 /nfs/dbraw/zinc/31/53/25/1077315325.db2.gz HHGGJPJXDLUANE-NRFANRHFSA-N 1 2 408.502 2.740 20 0 HFADLO COc1ccccc1[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1nccn1C ZINC000788853969 1077316316 /nfs/dbraw/zinc/31/63/16/1077316316.db2.gz PDBKEKYZKWGGQK-YLJYHZDGSA-N 1 2 407.474 2.776 20 0 HFADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788858238 1077335527 /nfs/dbraw/zinc/33/55/27/1077335527.db2.gz BKOOJZXLWZXAQD-FUHWJXTLSA-N 1 2 400.523 2.544 20 0 HFADLO Cc1ccc(N2CCC[C@H](NC(=O)NCCc3cn4cccc(C)c4[nH+]3)C2=O)cc1 ZINC000746772059 1077337166 /nfs/dbraw/zinc/33/71/66/1077337166.db2.gz OVGKDJYUHMOPJL-FQEVSTJZSA-N 1 2 405.502 2.988 20 0 HFADLO O=C(CCc1nc(-c2ncccn2)no1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791270640 1077354618 /nfs/dbraw/zinc/35/46/18/1077354618.db2.gz FWARZMYBBCDTJD-OAHLLOKOSA-N 1 2 421.505 2.904 20 0 HFADLO O=C(CCc1nc(-c2ncccn2)no1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791270640 1077354622 /nfs/dbraw/zinc/35/46/22/1077354622.db2.gz FWARZMYBBCDTJD-OAHLLOKOSA-N 1 2 421.505 2.904 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)[nH+]c12 ZINC000746775504 1077363497 /nfs/dbraw/zinc/36/34/97/1077363497.db2.gz FMZPZTFBPASSPY-MRXNPFEDSA-N 1 2 401.511 2.836 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)[nH+]c12 ZINC000746776463 1077366633 /nfs/dbraw/zinc/36/66/33/1077366633.db2.gz UBDZTZKWJPDRDA-INIZCTEOSA-N 1 2 401.511 2.741 20 0 HFADLO O=C(Cc1cnc2ccccc2c1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000788989285 1077374663 /nfs/dbraw/zinc/37/46/63/1077374663.db2.gz JIHNOQINDTVASQ-UHFFFAOYSA-N 1 2 409.511 2.726 20 0 HFADLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791336462 1077378024 /nfs/dbraw/zinc/37/80/24/1077378024.db2.gz MNYRPTIXNGJVHZ-IBGZPJMESA-N 1 2 405.520 2.818 20 0 HFADLO O=C(COC(=O)c1c(F)ccc(F)c1F)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000772729122 1077378385 /nfs/dbraw/zinc/37/83/85/1077378385.db2.gz DYEQWMUWLRHDPF-UHFFFAOYSA-N 1 2 408.376 2.732 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000791315419 1077383693 /nfs/dbraw/zinc/38/36/93/1077383693.db2.gz UFZPCMPXRPVMPA-UHFFFAOYSA-N 1 2 404.426 2.590 20 0 HFADLO Cc1nc(CC(C)C)oc1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000789130864 1077405259 /nfs/dbraw/zinc/40/52/59/1077405259.db2.gz JVAUNTVZGZQDOP-UHFFFAOYSA-N 1 2 405.520 2.744 20 0 HFADLO Nc1c(Cl)cc(F)cc1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000791485595 1077426040 /nfs/dbraw/zinc/42/60/40/1077426040.db2.gz VPQDJFKKXCOYAR-UHFFFAOYSA-N 1 2 411.886 2.624 20 0 HFADLO Cc1ccccc1C(=O)NC1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000791472376 1077445028 /nfs/dbraw/zinc/44/50/28/1077445028.db2.gz FHRXTWCRVXWKFB-UHFFFAOYSA-N 1 2 400.544 2.804 20 0 HFADLO Nc1cc(COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc[nH+]1 ZINC000791511776 1077450722 /nfs/dbraw/zinc/45/07/22/1077450722.db2.gz STFCLUBWFXQRND-UHFFFAOYSA-N 1 2 409.467 2.772 20 0 HFADLO COc1cccc(C2=NO[C@@H](C(=O)Nc3cccc(C[NH+]4CCN(C)CC4)c3)C2)c1 ZINC000791540548 1077458889 /nfs/dbraw/zinc/45/88/89/1077458889.db2.gz LQWZDNLJEHUXBT-JOCHJYFZSA-N 1 2 408.502 2.574 20 0 HFADLO CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)OCc3cc[nH+]c(N)c3)CC2)cc1 ZINC000791599730 1077498867 /nfs/dbraw/zinc/49/88/67/1077498867.db2.gz BGVRVBNHYXROHN-UHFFFAOYSA-N 1 2 417.531 2.931 20 0 HFADLO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000789293970 1077500855 /nfs/dbraw/zinc/50/08/55/1077500855.db2.gz NNWCJNKJJNCDRF-AQNXPRMDSA-N 1 2 408.564 2.933 20 0 HFADLO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000789293970 1077500861 /nfs/dbraw/zinc/50/08/61/1077500861.db2.gz NNWCJNKJJNCDRF-AQNXPRMDSA-N 1 2 408.564 2.933 20 0 HFADLO O=C(CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1)NCC(=O)c1ccccc1 ZINC000791649408 1077511074 /nfs/dbraw/zinc/51/10/74/1077511074.db2.gz YSSAYKGWDNKFNW-OAQYLSRUSA-N 1 2 408.498 2.974 20 0 HFADLO O=C(CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1)NCC(=O)c1ccccc1 ZINC000791649408 1077511076 /nfs/dbraw/zinc/51/10/76/1077511076.db2.gz YSSAYKGWDNKFNW-OAQYLSRUSA-N 1 2 408.498 2.974 20 0 HFADLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789364393 1077539522 /nfs/dbraw/zinc/53/95/22/1077539522.db2.gz IWDMWDXCPYATBZ-JTSKRJEESA-N 1 2 423.513 2.953 20 0 HFADLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789364393 1077539524 /nfs/dbraw/zinc/53/95/24/1077539524.db2.gz IWDMWDXCPYATBZ-JTSKRJEESA-N 1 2 423.513 2.953 20 0 HFADLO CCCC(=O)NC[C@H]1CCC[N@H+](CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789422585 1077552825 /nfs/dbraw/zinc/55/28/25/1077552825.db2.gz DEPKGZUHIOYWGB-VGOFRKELSA-N 1 2 406.571 2.709 20 0 HFADLO CCCC(=O)NC[C@H]1CCC[N@@H+](CN2C(=O)N[C@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789422585 1077552830 /nfs/dbraw/zinc/55/28/30/1077552830.db2.gz DEPKGZUHIOYWGB-VGOFRKELSA-N 1 2 406.571 2.709 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1=O ZINC000789422580 1077552905 /nfs/dbraw/zinc/55/29/05/1077552905.db2.gz DDWOBZLHXAJEHV-UZUQRXQVSA-N 1 2 420.598 2.953 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000789424961 1077554363 /nfs/dbraw/zinc/55/43/63/1077554363.db2.gz LZMYMKGDUBEVKZ-AOMKIAJQSA-N 1 2 422.570 2.927 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000789424961 1077554368 /nfs/dbraw/zinc/55/43/68/1077554368.db2.gz LZMYMKGDUBEVKZ-AOMKIAJQSA-N 1 2 422.570 2.927 20 0 HFADLO CC(C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001691696138 1077607580 /nfs/dbraw/zinc/60/75/80/1077607580.db2.gz POXCTEAEYABEQV-UHFFFAOYSA-N 1 2 406.600 2.972 20 0 HFADLO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)CN1C[C@]2(CCOC2)CC1=O ZINC000789517677 1077612114 /nfs/dbraw/zinc/61/21/14/1077612114.db2.gz XWEFHPMOGVZKLS-QHCPKHFHSA-N 1 2 417.550 2.652 20 0 HFADLO CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)CN1C[C@]2(CCOC2)CC1=O ZINC000789517677 1077612118 /nfs/dbraw/zinc/61/21/18/1077612118.db2.gz XWEFHPMOGVZKLS-QHCPKHFHSA-N 1 2 417.550 2.652 20 0 HFADLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789526571 1077622837 /nfs/dbraw/zinc/62/28/37/1077622837.db2.gz RSZAEQZJMDBJNX-WFXMLNOXSA-N 1 2 409.530 2.994 20 0 HFADLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789526571 1077622840 /nfs/dbraw/zinc/62/28/40/1077622840.db2.gz RSZAEQZJMDBJNX-WFXMLNOXSA-N 1 2 409.530 2.994 20 0 HFADLO Cc1nc(NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)sc1C ZINC000789548715 1077640104 /nfs/dbraw/zinc/64/01/04/1077640104.db2.gz LFZMOFGGNRXOKR-UHFFFAOYSA-N 1 2 401.536 2.550 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[NH+](Cc4cccs4)CC3)C2)c1 ZINC000792031229 1077658315 /nfs/dbraw/zinc/65/83/15/1077658315.db2.gz SXOSEEUCKXAOCB-FQEVSTJZSA-N 1 2 415.515 2.603 20 0 HFADLO COC(=O)c1cc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc(Cl)c1F ZINC000792210607 1077765846 /nfs/dbraw/zinc/76/58/46/1077765846.db2.gz ZSRPFSWPBATSDV-CQSZACIVSA-N 1 2 424.860 2.632 20 0 HFADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789770957 1077771414 /nfs/dbraw/zinc/77/14/14/1077771414.db2.gz SSFICEJKJQCOLG-GOSISDBHSA-N 1 2 408.289 2.662 20 0 HFADLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789770957 1077771418 /nfs/dbraw/zinc/77/14/18/1077771418.db2.gz SSFICEJKJQCOLG-GOSISDBHSA-N 1 2 408.289 2.662 20 0 HFADLO Nc1cc(COC(=O)C23CCC(C(=O)OCc4cc[nH+]c(N)c4)(CC2)CC3)ccn1 ZINC000792262459 1077785465 /nfs/dbraw/zinc/78/54/65/1077785465.db2.gz OVNZFUFIVOHKDG-UHFFFAOYSA-N 1 2 410.474 2.768 20 0 HFADLO Cc1ccc(F)c(-n2cc(O)c(C(=O)OCCCN3CC[NH+](C(C)C)CC3)n2)c1 ZINC000792294488 1077792733 /nfs/dbraw/zinc/79/27/33/1077792733.db2.gz NSYQPDDHPFXTTD-UHFFFAOYSA-N 1 2 404.486 2.598 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000789796036 1077801900 /nfs/dbraw/zinc/80/19/00/1077801900.db2.gz FJIXDXQZPBEPRC-UHFFFAOYSA-N 1 2 423.604 2.673 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000789796036 1077801906 /nfs/dbraw/zinc/80/19/06/1077801906.db2.gz FJIXDXQZPBEPRC-UHFFFAOYSA-N 1 2 423.604 2.673 20 0 HFADLO Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(F)cc2Br)c(N(C)C)[nH+]1 ZINC000792406761 1077839391 /nfs/dbraw/zinc/83/93/91/1077839391.db2.gz MMHWAHBHNGOFJS-UHFFFAOYSA-N 1 2 423.286 2.955 20 0 HFADLO COc1ccccc1S(=O)(=O)CCC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792385020 1077848086 /nfs/dbraw/zinc/84/80/86/1077848086.db2.gz NCCNYXOLPWPNLR-UHFFFAOYSA-N 1 2 408.495 2.937 20 0 HFADLO Cc1cc(C)c(N2CC[C@@H](NC(=O)c3ccccc3C[NH+]3CCOCC3)C2=O)c(C)c1 ZINC000789894404 1077852995 /nfs/dbraw/zinc/85/29/95/1077852995.db2.gz JHVFSCJWZIGEOI-JOCHJYFZSA-N 1 2 421.541 2.979 20 0 HFADLO Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)C2=O)c(C)c1 ZINC000789895300 1077853511 /nfs/dbraw/zinc/85/35/11/1077853511.db2.gz UCNZUGMKBVYBPA-NHCUHLMSSA-N 1 2 406.530 2.893 20 0 HFADLO Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)C2=O)c(C)c1 ZINC000789895300 1077853514 /nfs/dbraw/zinc/85/35/14/1077853514.db2.gz UCNZUGMKBVYBPA-NHCUHLMSSA-N 1 2 406.530 2.893 20 0 HFADLO COCC[N@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CC[C@H](C)C1 ZINC000792466605 1077860144 /nfs/dbraw/zinc/86/01/44/1077860144.db2.gz ZPXMSFGNQPOYQJ-DZGCQCFKSA-N 1 2 404.479 2.758 20 0 HFADLO COCC[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CC[C@H](C)C1 ZINC000792466605 1077860148 /nfs/dbraw/zinc/86/01/48/1077860148.db2.gz ZPXMSFGNQPOYQJ-DZGCQCFKSA-N 1 2 404.479 2.758 20 0 HFADLO CC(C)(C)C[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000747076057 1077869179 /nfs/dbraw/zinc/86/91/79/1077869179.db2.gz JXSQZEBOXSZLNP-HRAATJIYSA-N 1 2 421.563 2.715 20 0 HFADLO CC(C)(C)C[C@@H]1CCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000747076057 1077869182 /nfs/dbraw/zinc/86/91/82/1077869182.db2.gz JXSQZEBOXSZLNP-HRAATJIYSA-N 1 2 421.563 2.715 20 0 HFADLO C[C@@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1nnnn1C1CC1 ZINC000792472833 1077872456 /nfs/dbraw/zinc/87/24/56/1077872456.db2.gz IBOIQITZRLAMSS-GFCCVEGCSA-N 1 2 408.428 2.869 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000789967034 1077874578 /nfs/dbraw/zinc/87/45/78/1077874578.db2.gz TZEIESSUQVWPNI-OALUTQOASA-N 1 2 419.485 2.708 20 0 HFADLO C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000790032162 1077904258 /nfs/dbraw/zinc/90/42/58/1077904258.db2.gz JYEVYXGLLHHWDS-DENIHFKCSA-N 1 2 423.561 2.642 20 0 HFADLO Cc1cc(Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001170213628 1077908557 /nfs/dbraw/zinc/90/85/57/1077908557.db2.gz NEYCHJDWUOYUQT-UHFFFAOYSA-N 1 2 403.446 2.721 20 0 HFADLO Cc1cc(Nc2[nH]c(=O)nc3[nH]c(=O)[nH]c32)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001170213628 1077908560 /nfs/dbraw/zinc/90/85/60/1077908560.db2.gz NEYCHJDWUOYUQT-UHFFFAOYSA-N 1 2 403.446 2.721 20 0 HFADLO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC001170216038 1077909301 /nfs/dbraw/zinc/90/93/01/1077909301.db2.gz GYHFLSIMBQLZRF-LJQANCHMSA-N 1 2 418.538 2.756 20 0 HFADLO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC001170216038 1077909307 /nfs/dbraw/zinc/90/93/07/1077909307.db2.gz GYHFLSIMBQLZRF-LJQANCHMSA-N 1 2 418.538 2.756 20 0 HFADLO CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)c1 ZINC001170385980 1077957269 /nfs/dbraw/zinc/95/72/69/1077957269.db2.gz LJPYQPPCIXMELE-ZDUSSCGKSA-N 1 2 405.524 2.797 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000790123268 1077958673 /nfs/dbraw/zinc/95/86/73/1077958673.db2.gz APSKRECKDHXJJB-MVCQKVDPSA-N 1 2 409.571 2.734 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000790123175 1077958693 /nfs/dbraw/zinc/95/86/93/1077958693.db2.gz YGEXZIBFHVWDSS-UHFFFAOYSA-N 1 2 403.454 2.854 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000790123175 1077958694 /nfs/dbraw/zinc/95/86/94/1077958694.db2.gz YGEXZIBFHVWDSS-UHFFFAOYSA-N 1 2 403.454 2.854 20 0 HFADLO C[C@@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1nnnn1C1CC1 ZINC000790154895 1077960176 /nfs/dbraw/zinc/96/01/76/1077960176.db2.gz YWQBXACOJFMBGZ-MLGOLLRUSA-N 1 2 421.908 2.998 20 0 HFADLO O=Cc1ccc(OCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000790153154 1077960228 /nfs/dbraw/zinc/96/02/28/1077960228.db2.gz MHLYRCFRKUTYOL-OAHLLOKOSA-N 1 2 405.248 2.715 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cc(Br)ncc3Cl)cc2C1 ZINC000790155824 1077960438 /nfs/dbraw/zinc/96/04/38/1077960438.db2.gz UWWIHFOMHSJIOG-UHFFFAOYSA-N 1 2 423.698 2.593 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cc(Br)ncc3Cl)cc2C1 ZINC000790155824 1077960439 /nfs/dbraw/zinc/96/04/39/1077960439.db2.gz UWWIHFOMHSJIOG-UHFFFAOYSA-N 1 2 423.698 2.593 20 0 HFADLO C[C@H]1CSCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000792723510 1077974684 /nfs/dbraw/zinc/97/46/84/1077974684.db2.gz STABAUCYKANAAQ-MEBBXXQBSA-N 1 2 418.382 2.920 20 0 HFADLO C[C@H]1CSCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000792723510 1077974685 /nfs/dbraw/zinc/97/46/85/1077974685.db2.gz STABAUCYKANAAQ-MEBBXXQBSA-N 1 2 418.382 2.920 20 0 HFADLO CSCCONC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000792811449 1078001499 /nfs/dbraw/zinc/00/14/99/1078001499.db2.gz JHTHSEJKXMMHIW-UHFFFAOYSA-N 1 2 419.526 2.641 20 0 HFADLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000792828929 1078007047 /nfs/dbraw/zinc/00/70/47/1078007047.db2.gz LEKDAXZHOXOMQA-QHCPKHFHSA-N 1 2 413.303 2.964 20 0 HFADLO O=S1(=O)CCC[C@H](C[NH+]2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000792862042 1078010666 /nfs/dbraw/zinc/01/06/66/1078010666.db2.gz INUSRDOOUDAKLB-MRXNPFEDSA-N 1 2 406.470 2.528 20 0 HFADLO COC(=O)c1nscc1S(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000790420029 1078022262 /nfs/dbraw/zinc/02/22/62/1078022262.db2.gz HDSBBDJPAKEDMK-UHFFFAOYSA-N 1 2 419.484 2.897 20 0 HFADLO Cc1ccc(N(C(=O)C[N@@H+]2CCCCC[C@@H]2CCO)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000792928078 1078027670 /nfs/dbraw/zinc/02/76/70/1078027670.db2.gz RTSXUGRYGWQLIP-CTNGQTDRSA-N 1 2 420.575 2.574 20 0 HFADLO Cc1ccc(N(C(=O)C[N@H+]2CCCCC[C@@H]2CCO)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000792928078 1078027676 /nfs/dbraw/zinc/02/76/76/1078027676.db2.gz RTSXUGRYGWQLIP-CTNGQTDRSA-N 1 2 420.575 2.574 20 0 HFADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cccc(Br)n1 ZINC000792986166 1078041372 /nfs/dbraw/zinc/04/13/72/1078041372.db2.gz MSELFUZJCUMIFJ-CQSZACIVSA-N 1 2 417.307 2.516 20 0 HFADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cccc(Br)n1 ZINC000792986166 1078041377 /nfs/dbraw/zinc/04/13/77/1078041377.db2.gz MSELFUZJCUMIFJ-CQSZACIVSA-N 1 2 417.307 2.516 20 0 HFADLO Cc1c(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)nnn1Cc1ccc(F)cc1F ZINC000790489276 1078042729 /nfs/dbraw/zinc/04/27/29/1078042729.db2.gz QZOHDYISOLLARF-QGZVFWFLSA-N 1 2 402.449 2.954 20 0 HFADLO Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806313194 1079565858 /nfs/dbraw/zinc/56/58/58/1079565858.db2.gz JKRHQTLFVZOWGY-LJQANCHMSA-N 1 2 402.539 2.832 20 0 HFADLO Cc1cc(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)ccc1F ZINC000806352620 1079624951 /nfs/dbraw/zinc/62/49/51/1079624951.db2.gz VFDGMXDFUTULJT-GOSISDBHSA-N 1 2 420.529 2.971 20 0 HFADLO Cc1cccc(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000806369362 1079655270 /nfs/dbraw/zinc/65/52/70/1079655270.db2.gz SWHRKUPNSRDAFY-IBGZPJMESA-N 1 2 402.539 2.832 20 0 HFADLO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2CC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001130633540 1079719569 /nfs/dbraw/zinc/71/95/69/1079719569.db2.gz SUHLZDPYPGFNLI-WTGUMLROSA-N 1 2 421.582 2.878 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806490310 1079739767 /nfs/dbraw/zinc/73/97/67/1079739767.db2.gz FKDVYNGZJUWCDG-IRXDYDNUSA-N 1 2 402.861 2.701 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccc(Cl)c(F)c3)ccnc1-2 ZINC000806490310 1079739772 /nfs/dbraw/zinc/73/97/72/1079739772.db2.gz FKDVYNGZJUWCDG-IRXDYDNUSA-N 1 2 402.861 2.701 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)ccnc1-2 ZINC000806489944 1079740369 /nfs/dbraw/zinc/74/03/69/1079740369.db2.gz JCBYSHVBZCKBHT-UHFFFAOYSA-N 1 2 418.423 2.710 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3cccc4c3CCO4)C2)CC1 ZINC000806502009 1079752886 /nfs/dbraw/zinc/75/28/86/1079752886.db2.gz NZLYQOSBMBTGRR-MRXNPFEDSA-N 1 2 416.522 2.780 20 0 HFADLO C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(F)c2ccccc21 ZINC000806777541 1079994900 /nfs/dbraw/zinc/99/49/00/1079994900.db2.gz IOMXMLTWEAUXRP-HNNXBMFYSA-N 1 2 421.538 2.848 20 0 HFADLO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccc(O)c1 ZINC000806792949 1080013642 /nfs/dbraw/zinc/01/36/42/1080013642.db2.gz HGYVESDSCRYIOS-AEFFLSMTSA-N 1 2 418.538 2.790 20 0 HFADLO Cc1ccc(CCNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000806819431 1080037586 /nfs/dbraw/zinc/03/75/86/1080037586.db2.gz CHUUPUICNGGFIQ-FQEVSTJZSA-N 1 2 416.566 2.874 20 0 HFADLO COC(C)(C)C[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806866876 1080068878 /nfs/dbraw/zinc/06/88/78/1080068878.db2.gz DREDFIDSUVDKOV-SJORKVTESA-N 1 2 412.575 2.527 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000806871160 1080072581 /nfs/dbraw/zinc/07/25/81/1080072581.db2.gz YHWALMWPOWOEQE-FQEVSTJZSA-N 1 2 417.554 2.642 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCCCC3(C)C)CC2)cc1 ZINC000806876408 1080076134 /nfs/dbraw/zinc/07/61/34/1080076134.db2.gz VNGRBIMURKCFDL-HXUWFJFHSA-N 1 2 400.567 2.923 20 0 HFADLO C[C@@H]1CC(NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C[C@@H](C)C1 ZINC000806901621 1080107826 /nfs/dbraw/zinc/10/78/26/1080107826.db2.gz LIZYHLISWNGIQT-IRXDYDNUSA-N 1 2 400.567 2.779 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CC4CCC3CC4)C2)CC1 ZINC000806992032 1080171375 /nfs/dbraw/zinc/17/13/75/1080171375.db2.gz ZZNWXQMQDAOMFL-GMNCBBECSA-N 1 2 406.571 2.902 20 0 HFADLO CO[C@@](C)(CNC(=O)c1ccccc1C[NH+]1CCOCC1)COCc1ccccc1 ZINC001130801971 1080189652 /nfs/dbraw/zinc/18/96/52/1080189652.db2.gz YCDNSZGSEYYLPV-DEOSSOPVSA-N 1 2 412.530 2.871 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000807104633 1080283262 /nfs/dbraw/zinc/28/32/62/1080283262.db2.gz JNRKHVAVZQAIES-HMFYCAOWSA-N 1 2 424.586 2.528 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCCC[C@@H]3CCCCO3)CC2)C1 ZINC000807112076 1080289411 /nfs/dbraw/zinc/28/94/11/1080289411.db2.gz PZZNBKGGBZXPID-OALUTQOASA-N 1 2 424.586 2.672 20 0 HFADLO CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000807149504 1080307428 /nfs/dbraw/zinc/30/74/28/1080307428.db2.gz DCBYHONUACRBRX-ROUUACIJSA-N 1 2 403.527 2.631 20 0 HFADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2cnc(C3OCCO3)s2)c2ccc(Cl)cc2)C1 ZINC000807180201 1080374778 /nfs/dbraw/zinc/37/47/78/1080374778.db2.gz ZKJWYZJWBHKHGZ-GOEBONIOSA-N 1 2 423.922 2.644 20 0 HFADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2cnc(C3OCCO3)s2)c2ccc(Cl)cc2)C1 ZINC000807180201 1080374787 /nfs/dbraw/zinc/37/47/87/1080374787.db2.gz ZKJWYZJWBHKHGZ-GOEBONIOSA-N 1 2 423.922 2.644 20 0 HFADLO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1nccs1 ZINC000805278958 1080401945 /nfs/dbraw/zinc/40/19/45/1080401945.db2.gz LKJNUURMFPNHPU-HZPDHXFCSA-N 1 2 423.583 2.583 20 0 HFADLO O=C([C@@H](c1cccc(Br)c1)[NH+]1CCCC1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC001130894631 1080425943 /nfs/dbraw/zinc/42/59/43/1080425943.db2.gz RNBGATAXKDROFG-HHXXYDBFSA-N 1 2 420.351 2.713 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000807281786 1080440944 /nfs/dbraw/zinc/44/09/44/1080440944.db2.gz WJBDMVKPRCRNKA-GFCCVEGCSA-N 1 2 420.185 2.636 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC000807282603 1080442263 /nfs/dbraw/zinc/44/22/63/1080442263.db2.gz OHZLFUCYEZGUPM-HNNXBMFYSA-N 1 2 422.869 2.855 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 ZINC000807284078 1080443075 /nfs/dbraw/zinc/44/30/75/1080443075.db2.gz JEFIOVNXVMZMOZ-MRXNPFEDSA-N 1 2 402.451 2.510 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000807284337 1080445619 /nfs/dbraw/zinc/44/56/19/1080445619.db2.gz LBQJYTZVWGQGDG-INIZCTEOSA-N 1 2 402.451 2.510 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)c(Br)c(Cl)c1 ZINC000807285415 1080448372 /nfs/dbraw/zinc/44/83/72/1080448372.db2.gz VYDSQEHXQNIQJO-GFCCVEGCSA-N 1 2 400.660 2.579 20 0 HFADLO CCc1ccccc1CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000807365809 1080566410 /nfs/dbraw/zinc/56/64/10/1080566410.db2.gz SIUAXWLGLZHAFY-UHFFFAOYSA-N 1 2 408.546 2.716 20 0 HFADLO COC[C@]1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807551403 1080766362 /nfs/dbraw/zinc/76/63/62/1080766362.db2.gz SBQJEQABRPHICU-OAQYLSRUSA-N 1 2 421.542 2.715 20 0 HFADLO COC[C@]1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000807551403 1080766369 /nfs/dbraw/zinc/76/63/69/1080766369.db2.gz SBQJEQABRPHICU-OAQYLSRUSA-N 1 2 421.542 2.715 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807518310 1080770860 /nfs/dbraw/zinc/77/08/60/1080770860.db2.gz SIRNDWSMYYEKTF-RTBURBONSA-N 1 2 405.420 2.590 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807518310 1080770868 /nfs/dbraw/zinc/77/08/68/1080770868.db2.gz SIRNDWSMYYEKTF-RTBURBONSA-N 1 2 405.420 2.590 20 0 HFADLO COC1(c2nc(C3CCOCC3)no2)CC[NH+](CC(=O)N(C)c2ccccc2)CC1 ZINC000583615835 560776277 /nfs/dbraw/zinc/77/62/77/560776277.db2.gz APIKHBQXXRNBCT-UHFFFAOYSA-N 1 2 414.506 2.564 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3c(Cl)cc(Cl)nc3Cl)CC2)C1=O ZINC001164633997 719270631 /nfs/dbraw/zinc/27/06/31/719270631.db2.gz KOHQGUCKBCOZLC-UHFFFAOYSA-N 1 2 421.756 2.801 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3c(Cl)cc(Cl)nc3Cl)CC2)C1=O ZINC001164633997 719270632 /nfs/dbraw/zinc/27/06/32/719270632.db2.gz KOHQGUCKBCOZLC-UHFFFAOYSA-N 1 2 421.756 2.801 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(OC)cc2cc1C ZINC001164705754 719838866 /nfs/dbraw/zinc/83/88/66/719838866.db2.gz VEUAGZLORZCKJI-MBSDFSHPSA-N 1 2 413.518 2.785 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cccc(F)c21 ZINC001164698671 719849385 /nfs/dbraw/zinc/84/93/85/719849385.db2.gz GUDOKWCUBQCWKS-RBZFPXEDSA-N 1 2 422.888 2.655 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2ccc(Cl)cc2n1 ZINC001164705581 719851597 /nfs/dbraw/zinc/85/15/97/719851597.db2.gz UKQWUBYUNYQCRQ-FOIQADDNSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2cc(Cl)ccc2n1 ZINC001164706687 719857196 /nfs/dbraw/zinc/85/71/96/719857196.db2.gz YLMPLRUYLCCTDH-OXJNMPFZSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)c(Cl)cc1Cl ZINC001164707608 719864524 /nfs/dbraw/zinc/86/45/24/719864524.db2.gz UGUMYBXWVGSLKX-FZKQIMNGSA-N 1 2 402.322 2.930 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(C)nc(C2CC2)nc1Cl ZINC001164707947 719870765 /nfs/dbraw/zinc/87/07/65/719870765.db2.gz WQSDJCYHCWDULB-MGPUTAFESA-N 1 2 408.930 2.549 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cc(C)ccc2C)nn1 ZINC001164706068 719870790 /nfs/dbraw/zinc/87/07/90/719870790.db2.gz OMCBZFYQPUUNSC-YADARESESA-N 1 2 424.545 2.993 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(C)nc(C2CC2)nc1Cl ZINC001164707948 719870860 /nfs/dbraw/zinc/87/08/60/719870860.db2.gz WQSDJCYHCWDULB-QRWLVFNGSA-N 1 2 408.930 2.549 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2cccs2)n1 ZINC001164707428 719872258 /nfs/dbraw/zinc/87/22/58/719872258.db2.gz SLGPGNFLOAPOPF-IERDGZPVSA-N 1 2 416.547 2.746 20 0 HFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc3cccc(Cl)c31)CC2 ZINC001164709348 719911254 /nfs/dbraw/zinc/91/12/54/719911254.db2.gz TZDKFBZEIHZLAX-UHFFFAOYSA-N 1 2 424.936 2.572 20 0 HFADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(N)cc(Cl)n1 ZINC001164721919 720314787 /nfs/dbraw/zinc/31/47/87/720314787.db2.gz IXOXKGFUOFBCPB-AWEZNQCLSA-N 1 2 412.872 2.879 20 0 HFADLO CSc1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820738 720372846 /nfs/dbraw/zinc/37/28/46/720372846.db2.gz SGOBVPACCFBMEL-UHFFFAOYSA-N 1 2 417.604 2.882 20 0 HFADLO CSc1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820738 720372850 /nfs/dbraw/zinc/37/28/50/720372850.db2.gz SGOBVPACCFBMEL-UHFFFAOYSA-N 1 2 417.604 2.882 20 0 HFADLO COC(=O)c1nc(Cl)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164731666 720481738 /nfs/dbraw/zinc/48/17/38/720481738.db2.gz XIIUWWZOIVGPMV-STQMWFEESA-N 1 2 408.289 2.818 20 0 HFADLO COC(=O)c1nc(Cl)c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164731666 720481740 /nfs/dbraw/zinc/48/17/40/720481740.db2.gz XIIUWWZOIVGPMV-STQMWFEESA-N 1 2 408.289 2.818 20 0 HFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164858673 720895324 /nfs/dbraw/zinc/89/53/24/720895324.db2.gz NCWUTBDFVKYXNX-UHFFFAOYSA-N 1 2 424.814 2.631 20 0 HFADLO COc1nnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757559 720981581 /nfs/dbraw/zinc/98/15/81/720981581.db2.gz OXWSHAHLZZTJEH-CYBMUJFWSA-N 1 2 413.856 2.943 20 0 HFADLO FC(F)(c1ccnc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164768390 721271152 /nfs/dbraw/zinc/27/11/52/721271152.db2.gz UHSFRAIZRGQTOZ-ZDUSSCGKSA-N 1 2 406.824 2.982 20 0 HFADLO FC(F)(c1cnc(Cl)cn1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164763155 721271985 /nfs/dbraw/zinc/27/19/85/721271985.db2.gz CHDPTKFSXCOKJG-CYBMUJFWSA-N 1 2 406.824 2.982 20 0 HFADLO COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790282 721437871 /nfs/dbraw/zinc/43/78/71/721437871.db2.gz XHJCBBKZBDXUTK-PHIMTYICSA-N 1 2 401.870 2.708 20 0 HFADLO COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790282 721437874 /nfs/dbraw/zinc/43/78/74/721437874.db2.gz XHJCBBKZBDXUTK-PHIMTYICSA-N 1 2 401.870 2.708 20 0 HFADLO CCOC(=O)c1c(C)cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1C ZINC001165009764 721707017 /nfs/dbraw/zinc/70/70/17/721707017.db2.gz DDBBOCVXGHVIKT-UHFFFAOYSA-N 1 2 400.527 2.717 20 0 HFADLO CCOC(=O)c1c(C)cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1C ZINC001165009764 721707020 /nfs/dbraw/zinc/70/70/20/721707020.db2.gz DDBBOCVXGHVIKT-UHFFFAOYSA-N 1 2 400.527 2.717 20 0 HFADLO COc1ccc(-c2cc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)ncn2)cc1 ZINC001165009057 721714847 /nfs/dbraw/zinc/71/48/47/721714847.db2.gz OEAHHOZHDWSXGR-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO COc1ccc(-c2cc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)ncn2)cc1 ZINC001165009057 721714855 /nfs/dbraw/zinc/71/48/55/721714855.db2.gz OEAHHOZHDWSXGR-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO COc1nnc(Cl)cc1C(F)(F)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165011757 721720746 /nfs/dbraw/zinc/72/07/46/721720746.db2.gz TZQCSSWBSFHCIS-UHFFFAOYSA-N 1 2 415.876 2.526 20 0 HFADLO COc1nnc(Cl)cc1C(F)(F)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165011757 721720752 /nfs/dbraw/zinc/72/07/52/721720752.db2.gz TZQCSSWBSFHCIS-UHFFFAOYSA-N 1 2 415.876 2.526 20 0 HFADLO COc1ccc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164915573 721787647 /nfs/dbraw/zinc/78/76/47/721787647.db2.gz LIJJIUYXRVGQRA-XMMPIXPASA-N 1 2 420.513 2.746 20 0 HFADLO COc1ccc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164915573 721787649 /nfs/dbraw/zinc/78/76/49/721787649.db2.gz LIJJIUYXRVGQRA-XMMPIXPASA-N 1 2 420.513 2.746 20 0 HFADLO CSc1ccnc(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917165 721787750 /nfs/dbraw/zinc/78/77/50/721787750.db2.gz XHLTVVHOPILJRN-HXUWFJFHSA-N 1 2 420.966 2.960 20 0 HFADLO CSc1ccnc(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917165 721787756 /nfs/dbraw/zinc/78/77/56/721787756.db2.gz XHLTVVHOPILJRN-HXUWFJFHSA-N 1 2 420.966 2.960 20 0 HFADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C(C)(C)C)n1 ZINC001164915242 721796583 /nfs/dbraw/zinc/79/65/83/721796583.db2.gz UNIAWQDSVROPGY-HSZRJFAPSA-N 1 2 411.550 2.585 20 0 HFADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C(C)(C)C)n1 ZINC001164915242 721796584 /nfs/dbraw/zinc/79/65/84/721796584.db2.gz UNIAWQDSVROPGY-HSZRJFAPSA-N 1 2 411.550 2.585 20 0 HFADLO CCc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)nc1C ZINC001164915711 721800954 /nfs/dbraw/zinc/80/09/54/721800954.db2.gz YRFGTAXZVRYBPK-OAQYLSRUSA-N 1 2 417.941 2.504 20 0 HFADLO CCc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)nc1C ZINC001164915711 721800955 /nfs/dbraw/zinc/80/09/55/721800955.db2.gz YRFGTAXZVRYBPK-OAQYLSRUSA-N 1 2 417.941 2.504 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccnc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001164917366 721814532 /nfs/dbraw/zinc/81/45/32/721814532.db2.gz LPPUMFIWHMMINB-UHFFFAOYSA-N 1 2 413.526 2.770 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(C(=O)N3CCC[C@H](C)C3)cn2)CC1 ZINC001164918883 721818822 /nfs/dbraw/zinc/81/88/22/721818822.db2.gz WTEREILAXGXFOR-SFHVURJKSA-N 1 2 422.577 2.900 20 0 HFADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(C(C)C)[nH+]c(C)n4)CCO3)C2)cs1 ZINC001164918574 721823416 /nfs/dbraw/zinc/82/34/16/721823416.db2.gz FYWYYOJNXWGBJX-OAQYLSRUSA-N 1 2 417.579 2.781 20 0 HFADLO CCCN(CCC)c1cc(N2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)nc[nH+]1 ZINC001164944753 721951243 /nfs/dbraw/zinc/95/12/43/721951243.db2.gz KOBGPLUGLBVQOX-UXHICEINSA-N 1 2 414.554 2.797 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ncc1Cl)CC2 ZINC001164943657 721969298 /nfs/dbraw/zinc/96/92/98/721969298.db2.gz AZFFRXPWIXLJJL-UHFFFAOYSA-N 1 2 406.317 2.754 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)ncc1Cl)CC2 ZINC001164943657 721969299 /nfs/dbraw/zinc/96/92/99/721969299.db2.gz AZFFRXPWIXLJJL-UHFFFAOYSA-N 1 2 406.317 2.754 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(C3CC3)n1)CC2 ZINC001164947556 721974450 /nfs/dbraw/zinc/97/44/50/721974450.db2.gz PMPSFPNHOXNUDL-UHFFFAOYSA-N 1 2 411.937 2.978 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(C3CC3)n1)CC2 ZINC001164947556 721974451 /nfs/dbraw/zinc/97/44/51/721974451.db2.gz PMPSFPNHOXNUDL-UHFFFAOYSA-N 1 2 411.937 2.978 20 0 HFADLO Cc1ccccc1[C@@]1(C)NC(=O)N(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)C1=O ZINC000790466059 1078044739 /nfs/dbraw/zinc/04/47/39/1078044739.db2.gz ONJNDDXWBPGNCF-JOCHJYFZSA-N 1 2 412.465 2.797 20 0 HFADLO CC[C@]1(c2ccccc2)NC(=O)N(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)C1=O ZINC000790466901 1078044989 /nfs/dbraw/zinc/04/49/89/1078044989.db2.gz WRJSIRKDTORSJI-JOCHJYFZSA-N 1 2 412.465 2.879 20 0 HFADLO Cc1cccc2c1C[C@@H](C(=O)N1CC[NH2+][C@@H](c3cn[nH]c3)C1)N2C(=O)OC(C)(C)C ZINC001170138785 1078048235 /nfs/dbraw/zinc/04/82/35/1078048235.db2.gz FJDXXBNSIPTDOL-MJGOQNOKSA-N 1 2 411.506 2.557 20 0 HFADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)Nc2cccc(Cl)n2)c2ccc(Cl)cc2)C1 ZINC000793016149 1078050065 /nfs/dbraw/zinc/05/00/65/1078050065.db2.gz UKCQUQJBFMMWSZ-PBHICJAKSA-N 1 2 423.300 2.515 20 0 HFADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)Nc2cccc(Cl)n2)c2ccc(Cl)cc2)C1 ZINC000793016149 1078050071 /nfs/dbraw/zinc/05/00/71/1078050071.db2.gz UKCQUQJBFMMWSZ-PBHICJAKSA-N 1 2 423.300 2.515 20 0 HFADLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c3nnnn3C3CC3)ccc2c1 ZINC000790555646 1078055200 /nfs/dbraw/zinc/05/52/00/1078055200.db2.gz URBGTPRWHWWTMN-CABCVRRESA-N 1 2 408.506 2.868 20 0 HFADLO C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cnn(-c4ccccc4)n3)cc2)C1=O ZINC000790609295 1078074356 /nfs/dbraw/zinc/07/43/56/1078074356.db2.gz OHGWQWPFUXWSPM-QHCPKHFHSA-N 1 2 416.485 2.782 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000793335453 1078142966 /nfs/dbraw/zinc/14/29/66/1078142966.db2.gz STCZMWZZVNFLQO-UHFFFAOYSA-N 1 2 423.441 2.685 20 0 HFADLO CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000793441519 1078172609 /nfs/dbraw/zinc/17/26/09/1078172609.db2.gz PTAKOGGZDIEELA-GFCCVEGCSA-N 1 2 420.489 2.929 20 0 HFADLO C[N@H+](CCN1C(=O)c2ccccc2C1=O)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000793511266 1078194684 /nfs/dbraw/zinc/19/46/84/1078194684.db2.gz IKYNWQFHVJDYTO-LJQANCHMSA-N 1 2 405.498 2.653 20 0 HFADLO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000793511266 1078194685 /nfs/dbraw/zinc/19/46/85/1078194685.db2.gz IKYNWQFHVJDYTO-LJQANCHMSA-N 1 2 405.498 2.653 20 0 HFADLO O=C(NCCCNc1cccc[nH+]1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793530234 1078212160 /nfs/dbraw/zinc/21/21/60/1078212160.db2.gz PNBQCBWRVGOEHM-KDURUIRLSA-N 1 2 419.485 2.592 20 0 HFADLO CCOCOc1ccc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1 ZINC000793605828 1078223207 /nfs/dbraw/zinc/22/32/07/1078223207.db2.gz IVXYIPSOQVBDCX-UHFFFAOYSA-N 1 2 404.532 2.868 20 0 HFADLO CCOCOc1ccc(C[N@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1 ZINC000793605828 1078223211 /nfs/dbraw/zinc/22/32/11/1078223211.db2.gz IVXYIPSOQVBDCX-UHFFFAOYSA-N 1 2 404.532 2.868 20 0 HFADLO COCC1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793622483 1078230551 /nfs/dbraw/zinc/23/05/51/1078230551.db2.gz UMHMLFHDRMOAEF-UHFFFAOYSA-N 1 2 406.527 2.779 20 0 HFADLO COCC1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793622483 1078230554 /nfs/dbraw/zinc/23/05/54/1078230554.db2.gz UMHMLFHDRMOAEF-UHFFFAOYSA-N 1 2 406.527 2.779 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000793647494 1078241067 /nfs/dbraw/zinc/24/10/67/1078241067.db2.gz AXOLQJVGNMECOR-LNLFQRSKSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000793647494 1078241070 /nfs/dbraw/zinc/24/10/70/1078241070.db2.gz AXOLQJVGNMECOR-LNLFQRSKSA-N 1 2 409.571 2.782 20 0 HFADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)NCc2ccc([C@H](C)O)cc2)c(C)c1 ZINC000793650568 1078242010 /nfs/dbraw/zinc/24/20/10/1078242010.db2.gz LESLUEZAYNNPFJ-PGRDOPGGSA-N 1 2 420.513 2.727 20 0 HFADLO CC(C)[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793721959 1078265766 /nfs/dbraw/zinc/26/57/66/1078265766.db2.gz NTGYOXMGSFUGHT-LBUQITIBSA-N 1 2 420.554 2.632 20 0 HFADLO CC(C)[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793721959 1078265770 /nfs/dbraw/zinc/26/57/70/1078265770.db2.gz NTGYOXMGSFUGHT-LBUQITIBSA-N 1 2 420.554 2.632 20 0 HFADLO CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000793772393 1078307245 /nfs/dbraw/zinc/30/72/45/1078307245.db2.gz FRIAIAGBCKEPSS-LJQANCHMSA-N 1 2 421.582 2.879 20 0 HFADLO CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC000793772393 1078307250 /nfs/dbraw/zinc/30/72/50/1078307250.db2.gz FRIAIAGBCKEPSS-LJQANCHMSA-N 1 2 421.582 2.879 20 0 HFADLO Cc1ccc(OC[C@H](C)NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000793777343 1078308728 /nfs/dbraw/zinc/30/87/28/1078308728.db2.gz FAQGCEKERMQLJR-INIZCTEOSA-N 1 2 410.449 2.520 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@H]21 ZINC000793811248 1078314373 /nfs/dbraw/zinc/31/43/73/1078314373.db2.gz GRAMAXARVTUXBU-AFYVEPGGSA-N 1 2 421.582 2.782 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@H]21 ZINC000793811248 1078314377 /nfs/dbraw/zinc/31/43/77/1078314377.db2.gz GRAMAXARVTUXBU-AFYVEPGGSA-N 1 2 421.582 2.782 20 0 HFADLO CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000793811099 1078314580 /nfs/dbraw/zinc/31/45/80/1078314580.db2.gz FIAQEFWPBKPEDH-SFHVURJKSA-N 1 2 409.571 2.783 20 0 HFADLO CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000793811099 1078314583 /nfs/dbraw/zinc/31/45/83/1078314583.db2.gz FIAQEFWPBKPEDH-SFHVURJKSA-N 1 2 409.571 2.783 20 0 HFADLO C[C@H](SCC1CCC2(CC1)OCCO2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000793965399 1078348616 /nfs/dbraw/zinc/34/86/16/1078348616.db2.gz KBVUYJUHLDEDRC-KRWDZBQOSA-N 1 2 405.564 2.785 20 0 HFADLO C[C@@H](SCc1cnnn1-c1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000793967292 1078348852 /nfs/dbraw/zinc/34/88/52/1078348852.db2.gz SGJGRNDQPSCAOB-QGZVFWFLSA-N 1 2 408.531 2.633 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N[C@@H]2C[C@H]2c2ccc(OC)cc2)[C@@H]1c1c[nH+]cn1C ZINC000794157966 1078385438 /nfs/dbraw/zinc/38/54/38/1078385438.db2.gz SVWKDZZLKCFWIY-VQQMMKBISA-N 1 2 410.518 2.791 20 0 HFADLO COc1cc(OC)c(NC(=O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1Cl ZINC001170450733 1078479622 /nfs/dbraw/zinc/47/96/22/1078479622.db2.gz GESPXPYINIGRIQ-UONOGXRCSA-N 1 2 417.893 2.577 20 0 HFADLO COc1cc(OC)c(NC(=O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1Cl ZINC001170450733 1078479624 /nfs/dbraw/zinc/47/96/24/1078479624.db2.gz GESPXPYINIGRIQ-UONOGXRCSA-N 1 2 417.893 2.577 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000804437089 1078480785 /nfs/dbraw/zinc/48/07/85/1078480785.db2.gz VLRZNOMIEGTLFD-HOJAQTOUSA-N 1 2 417.550 2.617 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000804439084 1078484218 /nfs/dbraw/zinc/48/42/18/1078484218.db2.gz VKRQMAQFMVEZDX-HOCLYGCPSA-N 1 2 419.323 2.570 20 0 HFADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804438264 1078483106 /nfs/dbraw/zinc/48/31/06/1078483106.db2.gz LZKMAVZEPPJKKJ-PWSUYJOCSA-N 1 2 409.499 2.928 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 ZINC000804438983 1078484245 /nfs/dbraw/zinc/48/42/45/1078484245.db2.gz TVXDUVKSFHDYQC-MJGOQNOKSA-N 1 2 403.523 2.750 20 0 HFADLO Cc1nn(-c2ccccc2)c2ncc(C(=O)N3C[C@H]([NH+]4CCOCC4)C[C@H]3C)cc12 ZINC000804438550 1078503827 /nfs/dbraw/zinc/50/38/27/1078503827.db2.gz QNFLUTVQEPUCNI-OXQOHEQNSA-N 1 2 405.502 2.664 20 0 HFADLO O=C(c1cc(F)c(C(F)(F)F)cc1F)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000804444850 1078510595 /nfs/dbraw/zinc/51/05/95/1078510595.db2.gz IYSUYAHXJNSOAW-GFCCVEGCSA-N 1 2 408.367 2.547 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)c2cnn(CC(C)C)c2-c2ccccc2)CC1 ZINC001129822626 1078517541 /nfs/dbraw/zinc/51/75/41/1078517541.db2.gz GAYSXFWVHSCSLI-UHFFFAOYSA-N 1 2 414.550 2.625 20 0 HFADLO FC(F)[C@H]1CN(c2cc(N3CCO[C@H](C(F)F)C3)c3ccncc3[nH+]2)CCO1 ZINC000804694015 1078534693 /nfs/dbraw/zinc/53/46/93/1078534693.db2.gz LDCZCNFPJKTQPX-LSDHHAIUSA-N 1 2 400.376 2.570 20 0 HFADLO C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 ZINC000804762171 1078614536 /nfs/dbraw/zinc/61/45/36/1078614536.db2.gz QYNJGBRWPGLQFZ-IEBWSBKVSA-N 1 2 402.539 2.729 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CNc3ccccc3Cl)C2)CC1 ZINC000804761320 1078611073 /nfs/dbraw/zinc/61/10/73/1078611073.db2.gz BQWGRFOKZSPVGW-MRXNPFEDSA-N 1 2 422.957 2.906 20 0 HFADLO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804763749 1078615391 /nfs/dbraw/zinc/61/53/91/1078615391.db2.gz QIJFDZBWEWYFHH-MAUKXSAKSA-N 1 2 419.570 2.674 20 0 HFADLO CN(C(=O)c1nn(-c2ccccc2)cc1Br)C(C)(C)C[NH+]1CCOCC1 ZINC001129658847 1078619989 /nfs/dbraw/zinc/61/99/89/1078619989.db2.gz PMLQXAUHKMGLHN-UHFFFAOYSA-N 1 2 421.339 2.818 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CNc3cccc(Cl)c3)C2)CC1 ZINC000804765008 1078622061 /nfs/dbraw/zinc/62/20/61/1078622061.db2.gz RENFKJYVMBZPGD-GOSISDBHSA-N 1 2 422.957 2.906 20 0 HFADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccc(Oc2ccccc2F)nc1 ZINC001129669035 1078628523 /nfs/dbraw/zinc/62/85/23/1078628523.db2.gz CYBVWGMMYIWJEV-UHFFFAOYSA-N 1 2 415.465 2.624 20 0 HFADLO Cn1c[nH+]c(CCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1 ZINC001129652138 1078639629 /nfs/dbraw/zinc/63/96/29/1078639629.db2.gz POUBXFBSNYHKPR-LJQANCHMSA-N 1 2 411.506 2.696 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(C)nc2Sc2ccccc2)CC1 ZINC001129698658 1078658143 /nfs/dbraw/zinc/65/81/43/1078658143.db2.gz PZBOIEIWNKQBTI-UHFFFAOYSA-N 1 2 415.559 2.960 20 0 HFADLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001129726823 1078676979 /nfs/dbraw/zinc/67/69/79/1078676979.db2.gz HMJOQOWLRPPYPZ-ZDUSSCGKSA-N 1 2 414.333 2.573 20 0 HFADLO CC(C)OC(=O)c1cccnc1N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804835391 1078677695 /nfs/dbraw/zinc/67/76/95/1078677695.db2.gz OZSYKNVNBCFBTF-QGZVFWFLSA-N 1 2 418.538 2.778 20 0 HFADLO COC[C@]1(CNc2cc(N3CCSCC3)nc[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000804838700 1078679343 /nfs/dbraw/zinc/67/93/43/1078679343.db2.gz KILYGIDIEWSXJM-HXUWFJFHSA-N 1 2 423.583 2.858 20 0 HFADLO COC[C@]1(CNc2cc(N3CCSCC3)[nH+]cn2)CCCN1C(=O)OC(C)(C)C ZINC000804838700 1078679348 /nfs/dbraw/zinc/67/93/48/1078679348.db2.gz KILYGIDIEWSXJM-HXUWFJFHSA-N 1 2 423.583 2.858 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000804969963 1078804978 /nfs/dbraw/zinc/80/49/78/1078804978.db2.gz OOTVRKZHACTBDR-DENIHFKCSA-N 1 2 400.567 2.724 20 0 HFADLO Cc1cccc(CCNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000805033182 1078880622 /nfs/dbraw/zinc/88/06/22/1078880622.db2.gz FTWCPKXWWJKELK-HXUWFJFHSA-N 1 2 416.566 2.874 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(Br)cc1F ZINC000805091981 1078917632 /nfs/dbraw/zinc/91/76/32/1078917632.db2.gz UAPJTJBEKBQXGR-CJNGLKHVSA-N 1 2 414.319 2.635 20 0 HFADLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000805162560 1078925771 /nfs/dbraw/zinc/92/57/71/1078925771.db2.gz DRWKKWOHSGEEHA-KEYYUXOJSA-N 1 2 419.913 2.956 20 0 HFADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000805131380 1078930508 /nfs/dbraw/zinc/93/05/08/1078930508.db2.gz NQDDUKSPRZDROT-RDJZCZTQSA-N 1 2 420.535 2.608 20 0 HFADLO O=C(NCc1ccc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)o1)C(F)(F)F ZINC001130124245 1078974477 /nfs/dbraw/zinc/97/44/77/1078974477.db2.gz BDBDKHYEBOCTSS-WBVHZDCISA-N 1 2 421.419 2.805 20 0 HFADLO O=C(NCc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)o1)C(F)(F)F ZINC001130124245 1078974484 /nfs/dbraw/zinc/97/44/84/1078974484.db2.gz BDBDKHYEBOCTSS-WBVHZDCISA-N 1 2 421.419 2.805 20 0 HFADLO CC(C)[C@@H]1C[C@@H](NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC000805253944 1078999208 /nfs/dbraw/zinc/99/92/08/1078999208.db2.gz RPWLBMAMKWAPJR-FHWLQOOXSA-N 1 2 424.586 2.527 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCCC[C@@H]3CCCCO3)C2)CC1 ZINC000805281986 1079007446 /nfs/dbraw/zinc/00/74/46/1079007446.db2.gz IWESRBTZRAAOPO-OALUTQOASA-N 1 2 424.586 2.672 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C1 ZINC000805474093 1079090404 /nfs/dbraw/zinc/09/04/04/1079090404.db2.gz NBOGYRPEVSNDBR-NRFANRHFSA-N 1 2 409.486 2.583 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C1 ZINC000805474093 1079090408 /nfs/dbraw/zinc/09/04/08/1079090408.db2.gz NBOGYRPEVSNDBR-NRFANRHFSA-N 1 2 409.486 2.583 20 0 HFADLO COc1c(Br)ccc(F)c1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259653 1079148864 /nfs/dbraw/zinc/14/88/64/1079148864.db2.gz IONMBBWVRPMXAR-SDDRHHMPSA-N 1 2 403.292 2.824 20 0 HFADLO COc1c(Br)ccc(F)c1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259653 1079148869 /nfs/dbraw/zinc/14/88/69/1079148869.db2.gz IONMBBWVRPMXAR-SDDRHHMPSA-N 1 2 403.292 2.824 20 0 HFADLO COC(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000747255890 1079174512 /nfs/dbraw/zinc/17/45/12/1079174512.db2.gz HLTPIHQRTDPRRJ-UITAMQMPSA-N 1 2 415.446 2.676 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000805763255 1079264608 /nfs/dbraw/zinc/26/46/08/1079264608.db2.gz WYJCETMYSOHZSU-KRWDZBQOSA-N 1 2 404.511 2.894 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000805763255 1079264615 /nfs/dbraw/zinc/26/46/15/1079264615.db2.gz WYJCETMYSOHZSU-KRWDZBQOSA-N 1 2 404.511 2.894 20 0 HFADLO C[C@H]1CN(c2ccc(NC(=O)C[N@H+](CCCO)Cc3ccccn3)cc2)C[C@H](C)O1 ZINC000805755205 1079260413 /nfs/dbraw/zinc/26/04/13/1079260413.db2.gz POMSMSMGZOGICS-OALUTQOASA-N 1 2 412.534 2.518 20 0 HFADLO C[C@H]1CN(c2ccc(NC(=O)C[N@@H+](CCCO)Cc3ccccn3)cc2)C[C@H](C)O1 ZINC000805755205 1079260415 /nfs/dbraw/zinc/26/04/15/1079260415.db2.gz POMSMSMGZOGICS-OALUTQOASA-N 1 2 412.534 2.518 20 0 HFADLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000805802158 1079280990 /nfs/dbraw/zinc/28/09/90/1079280990.db2.gz QFZDAUHNDWIAOH-DEYYWGMASA-N 1 2 404.511 2.960 20 0 HFADLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000805802158 1079280993 /nfs/dbraw/zinc/28/09/93/1079280993.db2.gz QFZDAUHNDWIAOH-DEYYWGMASA-N 1 2 404.511 2.960 20 0 HFADLO C[C@@H](C[N@H+](CC(=O)Nc1cccc(S(C)(=O)=O)c1)[C@@H](C)CO)c1ccccc1 ZINC000805820078 1079292005 /nfs/dbraw/zinc/29/20/05/1079292005.db2.gz DGYDJIFMTDIZTM-IRXDYDNUSA-N 1 2 404.532 2.515 20 0 HFADLO C[C@@H](C[N@@H+](CC(=O)Nc1cccc(S(C)(=O)=O)c1)[C@@H](C)CO)c1ccccc1 ZINC000805820078 1079292014 /nfs/dbraw/zinc/29/20/14/1079292014.db2.gz DGYDJIFMTDIZTM-IRXDYDNUSA-N 1 2 404.532 2.515 20 0 HFADLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ccc1N1CCSCC1 ZINC000806247600 1079500840 /nfs/dbraw/zinc/50/08/40/1079500840.db2.gz NAYCCYYWTJOJSQ-IEBWSBKVSA-N 1 2 404.580 2.875 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)n[nH]2)C1 ZINC000787310250 1076757615 /nfs/dbraw/zinc/75/76/15/1076757615.db2.gz OOJKTFHORWEQOG-CABCVRRESA-N 1 2 414.510 2.877 20 0 HFADLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787351697 1076792399 /nfs/dbraw/zinc/79/23/99/1076792399.db2.gz GABNOLMXKRPIKB-HZPDHXFCSA-N 1 2 421.538 2.870 20 0 HFADLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787351697 1076792400 /nfs/dbraw/zinc/79/24/00/1076792400.db2.gz GABNOLMXKRPIKB-HZPDHXFCSA-N 1 2 421.538 2.870 20 0 HFADLO Cn1cc(/C=C\C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000787388453 1076805216 /nfs/dbraw/zinc/80/52/16/1076805216.db2.gz BTKFMPCBVPNKPL-UTCJRWHESA-N 1 2 404.312 2.586 20 0 HFADLO CCOC(=O)C(C)(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787531237 1076850134 /nfs/dbraw/zinc/85/01/34/1076850134.db2.gz ADMKBIURPBDZKM-UHFFFAOYSA-N 1 2 412.328 2.729 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)C(F)(F)C3(O)CCC3)cc2Br)CC1 ZINC000787536020 1076851892 /nfs/dbraw/zinc/85/18/92/1076851892.db2.gz NHZGBPPJTDSTEC-UHFFFAOYSA-N 1 2 418.282 2.690 20 0 HFADLO C[NH+](C)[C@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccc(Cl)cc1 ZINC000746697331 1076864391 /nfs/dbraw/zinc/86/43/91/1076864391.db2.gz SEGUVLODKQZMQC-QGZVFWFLSA-N 1 2 416.934 2.758 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)/C=C\c3cnccn3)cc2Br)CC1 ZINC000787676115 1076890246 /nfs/dbraw/zinc/89/02/46/1076890246.db2.gz UUZXYPSJJXYORK-HYXAFXHYSA-N 1 2 402.296 2.643 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)/C=C\c3ccncn3)cc2Br)CC1 ZINC000787676165 1076890300 /nfs/dbraw/zinc/89/03/00/1076890300.db2.gz WXPOBVQUQUKGCN-HYXAFXHYSA-N 1 2 402.296 2.643 20 0 HFADLO CC[C@H]([NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl)C(=O)N1CCOCC1 ZINC000787773209 1076942592 /nfs/dbraw/zinc/94/25/92/1076942592.db2.gz DMHLAQXXMJYIQS-KRWDZBQOSA-N 1 2 419.957 2.627 20 0 HFADLO Cc1cnc(Cl)c(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000787876950 1076972912 /nfs/dbraw/zinc/97/29/12/1076972912.db2.gz ZAMPPLYBUYGYHB-UHFFFAOYSA-N 1 2 404.873 2.856 20 0 HFADLO Cc1cnc(Cl)c(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000787876950 1076972913 /nfs/dbraw/zinc/97/29/13/1076972913.db2.gz ZAMPPLYBUYGYHB-UHFFFAOYSA-N 1 2 404.873 2.856 20 0 HFADLO CC[C@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1OC(F)F ZINC000787868565 1076987390 /nfs/dbraw/zinc/98/73/90/1076987390.db2.gz JAQWUBKRZOMLIF-ZBFHGGJFSA-N 1 2 420.460 2.995 20 0 HFADLO CCN(C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1)C1CCC1 ZINC000787900561 1077004297 /nfs/dbraw/zinc/00/42/97/1077004297.db2.gz CVIPIXJJGRNBTK-UHFFFAOYSA-N 1 2 423.355 2.540 20 0 HFADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)Cc2ccco2)[C@@H]1c1ccc(F)c(F)c1 ZINC000787938265 1077016778 /nfs/dbraw/zinc/01/67/78/1077016778.db2.gz GENJYBRLVJWXAL-UAOJZALGSA-N 1 2 419.472 2.945 20 0 HFADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)Cc2ccco2)[C@@H]1c1ccc(F)c(F)c1 ZINC000787938265 1077016785 /nfs/dbraw/zinc/01/67/85/1077016785.db2.gz GENJYBRLVJWXAL-UAOJZALGSA-N 1 2 419.472 2.945 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CC(=O)NC(=O)NCc2cccs2)C1 ZINC000787994636 1077021409 /nfs/dbraw/zinc/02/14/09/1077021409.db2.gz JFMGTLYXAPRBOS-FQEVSTJZSA-N 1 2 422.551 2.549 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CC(=O)NC(=O)NCc2cccs2)C1 ZINC000787994636 1077021414 /nfs/dbraw/zinc/02/14/14/1077021414.db2.gz JFMGTLYXAPRBOS-FQEVSTJZSA-N 1 2 422.551 2.549 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000787997179 1077023267 /nfs/dbraw/zinc/02/32/67/1077023267.db2.gz QAYGNPYWYNYYPM-OAQYLSRUSA-N 1 2 408.543 2.620 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000787997179 1077023271 /nfs/dbraw/zinc/02/32/71/1077023271.db2.gz QAYGNPYWYNYYPM-OAQYLSRUSA-N 1 2 408.543 2.620 20 0 HFADLO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788002755 1077024627 /nfs/dbraw/zinc/02/46/27/1077024627.db2.gz ABEZKFXSMIGBHA-UHFFFAOYSA-N 1 2 411.930 2.939 20 0 HFADLO COc1ccc(OC)c(C[NH+]2CCN(Cc3c(Cl)ncnc3N(C)C)CC2)c1 ZINC000788011152 1077027973 /nfs/dbraw/zinc/02/79/73/1077027973.db2.gz DOWZFWZUWSJXGN-UHFFFAOYSA-N 1 2 405.930 2.531 20 0 HFADLO COC(=O)NCCc1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000788013143 1077028776 /nfs/dbraw/zinc/02/87/76/1077028776.db2.gz HWOIHHKTSFWCQL-UHFFFAOYSA-N 1 2 407.473 2.600 20 0 HFADLO COc1cc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cnc1Br ZINC000788453191 1077164137 /nfs/dbraw/zinc/16/41/37/1077164137.db2.gz MNMPIORZBKOHRZ-UHFFFAOYSA-N 1 2 407.268 2.645 20 0 HFADLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccnc(C(=O)N3CCCCC3)c2)cc1 ZINC000788465647 1077168873 /nfs/dbraw/zinc/16/88/73/1077168873.db2.gz WUTQKECGPZMJLG-QHCPKHFHSA-N 1 2 408.546 2.923 20 0 HFADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)NCCSC(F)(F)F)c(C)c1 ZINC000788542227 1077194328 /nfs/dbraw/zinc/19/43/28/1077194328.db2.gz LDRJZZWCXWNOAI-HNNXBMFYSA-N 1 2 414.453 2.727 20 0 HFADLO COc1cccc(Cc2cnc(NC(=O)N(C)[C@H](C)C[NH+]3CCOCC3)s2)c1 ZINC000788543138 1077195197 /nfs/dbraw/zinc/19/51/97/1077195197.db2.gz XNBTWOPCIBXWHO-OAHLLOKOSA-N 1 2 404.536 2.927 20 0 HFADLO O=C(C[NH+]1CCC(F)(c2ccccn2)CC1)NCc1cccc(C(=O)NC2CC2)c1 ZINC001170086112 1077200854 /nfs/dbraw/zinc/20/08/54/1077200854.db2.gz PDHLEJWNAFRVGQ-UHFFFAOYSA-N 1 2 410.493 2.551 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000788603059 1077220199 /nfs/dbraw/zinc/22/01/99/1077220199.db2.gz DYWMAGVOIFYFPE-AWEZNQCLSA-N 1 2 400.262 2.707 20 0 HFADLO CCCc1ccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCN(C(=O)OC)CC2)cc1 ZINC000791111446 1077300966 /nfs/dbraw/zinc/30/09/66/1077300966.db2.gz UWMAANKMNNCZLZ-UHFFFAOYSA-N 1 2 418.519 2.723 20 0 HFADLO O=C(/C=C\c1ccc(I)o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788831655 1077313662 /nfs/dbraw/zinc/31/36/62/1077313662.db2.gz IMEPMDBOAPFFEP-CTGSTSKSSA-N 1 2 410.211 2.972 20 0 HFADLO C[N@@H+]1CCN(C(=O)NCC(F)(F)c2ccccc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000788848060 1077318663 /nfs/dbraw/zinc/31/86/63/1077318663.db2.gz ANHVQUIEGQTLIS-INIZCTEOSA-N 1 2 412.481 2.629 20 0 HFADLO C[N@H+]1CCN(C(=O)NCC(F)(F)c2ccccc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000788848060 1077318668 /nfs/dbraw/zinc/31/86/68/1077318668.db2.gz ANHVQUIEGQTLIS-INIZCTEOSA-N 1 2 412.481 2.629 20 0 HFADLO C[C@H](CNS(=O)(=O)C1=Cc2ccccc2OC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000788882334 1077328835 /nfs/dbraw/zinc/32/88/35/1077328835.db2.gz SKBYTLWNVTWWKY-GOSISDBHSA-N 1 2 413.543 2.550 20 0 HFADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788858237 1077335577 /nfs/dbraw/zinc/33/55/77/1077335577.db2.gz BKOOJZXLWZXAQD-AEFFLSMTSA-N 1 2 400.523 2.544 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O ZINC000791293171 1077358893 /nfs/dbraw/zinc/35/88/93/1077358893.db2.gz VHFFWUCQHDOOQT-ZHRRBRCNSA-N 1 2 410.474 2.725 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)[nH+]c12 ZINC000746775899 1077371159 /nfs/dbraw/zinc/37/11/59/1077371159.db2.gz MRUDKAGNLQHKJQ-UHFFFAOYSA-N 1 2 401.511 2.838 20 0 HFADLO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc(Br)n[nH]1 ZINC000791374619 1077386176 /nfs/dbraw/zinc/38/61/76/1077386176.db2.gz MAZCMTFZTFPNJP-UHFFFAOYSA-N 1 2 408.300 2.575 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000791350532 1077390728 /nfs/dbraw/zinc/39/07/28/1077390728.db2.gz OLPMHLMAVSMDHR-UHFFFAOYSA-N 1 2 404.426 2.696 20 0 HFADLO COc1cc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1Br ZINC000746783345 1077393243 /nfs/dbraw/zinc/39/32/43/1077393243.db2.gz KVLNYJHXXSQRQK-OAHLLOKOSA-N 1 2 423.311 2.824 20 0 HFADLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccc3c2cccc3N(C)C)C1 ZINC000791420877 1077395092 /nfs/dbraw/zinc/39/50/92/1077395092.db2.gz URGLUIKQYHPQQX-QGZVFWFLSA-N 1 2 405.564 2.541 20 0 HFADLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccc3c2cccc3N(C)C)C1 ZINC000791420877 1077395097 /nfs/dbraw/zinc/39/50/97/1077395097.db2.gz URGLUIKQYHPQQX-QGZVFWFLSA-N 1 2 405.564 2.541 20 0 HFADLO CC1(C)CCCC[C@@H]1C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000789063340 1077395246 /nfs/dbraw/zinc/39/52/46/1077395246.db2.gz JYMFZRNLQSBXEW-HXUWFJFHSA-N 1 2 402.535 2.895 20 0 HFADLO CC[N@H+](C)[C@@H](C(=O)OCCN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000791392523 1077397619 /nfs/dbraw/zinc/39/76/19/1077397619.db2.gz SOERSOXMLLCHBA-HXUWFJFHSA-N 1 2 404.532 2.684 20 0 HFADLO CC[N@@H+](C)[C@@H](C(=O)OCCN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000791392523 1077397625 /nfs/dbraw/zinc/39/76/25/1077397625.db2.gz SOERSOXMLLCHBA-HXUWFJFHSA-N 1 2 404.532 2.684 20 0 HFADLO O=S(=O)(CC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)Cc1ccccc1 ZINC000791449543 1077411165 /nfs/dbraw/zinc/41/11/65/1077411165.db2.gz CHZTUYNTKVAUJY-LJQANCHMSA-N 1 2 402.564 2.799 20 0 HFADLO O=S(=O)(CC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)Cc1ccccc1 ZINC000791449543 1077411169 /nfs/dbraw/zinc/41/11/69/1077411169.db2.gz CHZTUYNTKVAUJY-LJQANCHMSA-N 1 2 402.564 2.799 20 0 HFADLO Nc1c(Cl)cc(F)cc1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000791479837 1077420573 /nfs/dbraw/zinc/42/05/73/1077420573.db2.gz RIROBCCXCGHUTK-UHFFFAOYSA-N 1 2 411.886 2.624 20 0 HFADLO O=C(Nc1ccccc1SC(F)(F)F)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000746791359 1077448090 /nfs/dbraw/zinc/44/80/90/1077448090.db2.gz WGPKIBJQSICVIK-ZDUSSCGKSA-N 1 2 417.453 2.560 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)C2)c1 ZINC000791543535 1077460476 /nfs/dbraw/zinc/46/04/76/1077460476.db2.gz DIDVZXJEEBBJJP-OAQYLSRUSA-N 1 2 424.432 2.838 20 0 HFADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000791645673 1077509526 /nfs/dbraw/zinc/50/95/26/1077509526.db2.gz LQOYSEIIUMQWCD-QUCCMNQESA-N 1 2 413.470 2.753 20 0 HFADLO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000791645673 1077509530 /nfs/dbraw/zinc/50/95/30/1077509530.db2.gz LQOYSEIIUMQWCD-QUCCMNQESA-N 1 2 413.470 2.753 20 0 HFADLO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001170103070 1077530546 /nfs/dbraw/zinc/53/05/46/1077530546.db2.gz ZUFUYUBUTKZBMJ-INIZCTEOSA-N 1 2 407.312 2.757 20 0 HFADLO Nc1cc(COC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)cc[nH+]1 ZINC000791792865 1077559683 /nfs/dbraw/zinc/55/96/83/1077559683.db2.gz CUHDKEQGMMHBLG-UHFFFAOYSA-N 1 2 403.485 2.561 20 0 HFADLO CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCC1 ZINC000746818473 1077571662 /nfs/dbraw/zinc/57/16/62/1077571662.db2.gz CTSRHVIPRLOLJY-UHFFFAOYSA-N 1 2 417.550 2.973 20 0 HFADLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521380 1077617331 /nfs/dbraw/zinc/61/73/31/1077617331.db2.gz MTOGXPPXUHLXJN-JPYJTQIMSA-N 1 2 418.541 2.948 20 0 HFADLO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789521380 1077617333 /nfs/dbraw/zinc/61/73/33/1077617333.db2.gz MTOGXPPXUHLXJN-JPYJTQIMSA-N 1 2 418.541 2.948 20 0 HFADLO CC(C)(C)OC(=O)NC1(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000746824742 1077631674 /nfs/dbraw/zinc/63/16/74/1077631674.db2.gz OTFCSNQROOTSOK-LJQANCHMSA-N 1 2 417.550 2.841 20 0 HFADLO CC(C)(C)OC(=O)NC1(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000746824742 1077631678 /nfs/dbraw/zinc/63/16/78/1077631678.db2.gz OTFCSNQROOTSOK-LJQANCHMSA-N 1 2 417.550 2.841 20 0 HFADLO C[C@@H](CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1)c1ccc(F)c(Br)c1 ZINC001170111882 1077679835 /nfs/dbraw/zinc/67/98/35/1077679835.db2.gz ISIVUIBHYLMSKF-SJCJKPOMSA-N 1 2 409.303 2.988 20 0 HFADLO Cc1c(C[S@](C)=O)cccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792183362 1077737256 /nfs/dbraw/zinc/73/72/56/1077737256.db2.gz FVLCLXPFGSJLCY-LJAQVGFWSA-N 1 2 423.579 2.755 20 0 HFADLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)c(C)c1 ZINC000792230270 1077754360 /nfs/dbraw/zinc/75/43/60/1077754360.db2.gz ILYIQXDVGORUMZ-MOPGFXCFSA-N 1 2 400.519 2.701 20 0 HFADLO COC(=O)c1cc(NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc(Cl)c1F ZINC000792218463 1077771698 /nfs/dbraw/zinc/77/16/98/1077771698.db2.gz YSADGXIRYVWVRK-UHFFFAOYSA-N 1 2 423.828 2.541 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)nc(=O)c2c1C ZINC000772792403 1077772241 /nfs/dbraw/zinc/77/22/41/1077772241.db2.gz BGKIAOZYHVBJBJ-UONOGXRCSA-N 1 2 405.520 2.861 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@H+]3CCC[C@@H]4CCC[C@H]43)nc(=O)c2c1C ZINC000772792403 1077772246 /nfs/dbraw/zinc/77/22/46/1077772246.db2.gz BGKIAOZYHVBJBJ-UONOGXRCSA-N 1 2 405.520 2.861 20 0 HFADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000792250655 1077772316 /nfs/dbraw/zinc/77/23/16/1077772316.db2.gz KWEWMSGTTWKWAP-QGZVFWFLSA-N 1 2 420.554 2.744 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2cccnc2OCC(F)F)CC1 ZINC000792290248 1077777437 /nfs/dbraw/zinc/77/74/37/1077777437.db2.gz ODNDMRQERPJWJB-UHFFFAOYSA-N 1 2 414.453 2.607 20 0 HFADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000792250069 1077779085 /nfs/dbraw/zinc/77/90/85/1077779085.db2.gz BQLLEPFAYBKQJM-DLBZAZTESA-N 1 2 420.554 2.997 20 0 HFADLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000789751673 1077783375 /nfs/dbraw/zinc/78/33/75/1077783375.db2.gz DCETVKLBKQWYJV-GOEBONIOSA-N 1 2 420.945 2.566 20 0 HFADLO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000746855925 1077787768 /nfs/dbraw/zinc/78/77/68/1077787768.db2.gz KUEPUNWHWCLAJL-UHFFFAOYSA-N 1 2 410.971 2.749 20 0 HFADLO Cc1ccc(NC(=O)C(=O)N2CCc3cc(Br)ccc3C2)c(N(C)C)[nH+]1 ZINC000792299324 1077795589 /nfs/dbraw/zinc/79/55/89/1077795589.db2.gz RHHHRIVTMSDEBE-UHFFFAOYSA-N 1 2 417.307 2.742 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3ccccc3-n3cc[nH+]c3)C2)c1 ZINC000792300177 1077796051 /nfs/dbraw/zinc/79/60/51/1077796051.db2.gz PWIVZJCVBCHWEB-NRFANRHFSA-N 1 2 406.442 2.699 20 0 HFADLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792387168 1077829529 /nfs/dbraw/zinc/82/95/29/1077829529.db2.gz YSGGMTBXEIVJGB-AWEZNQCLSA-N 1 2 401.438 2.862 20 0 HFADLO Cc1cc(C)c(N2CC[C@H](NC(=O)[C@H](C(C)C)[NH+]3C[C@@H](C)O[C@H](C)C3)C2=O)c(C)c1 ZINC000789894379 1077852620 /nfs/dbraw/zinc/85/26/20/1077852620.db2.gz IUUBOUKYTRXTEU-CGXNFDGLSA-N 1 2 415.578 2.967 20 0 HFADLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C(N)=O)n1 ZINC000792469762 1077870591 /nfs/dbraw/zinc/87/05/91/1077870591.db2.gz DNXGLXVSHLQMSC-CYBMUJFWSA-N 1 2 422.532 2.646 20 0 HFADLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C(N)=O)n1 ZINC000792469762 1077870601 /nfs/dbraw/zinc/87/06/01/1077870601.db2.gz DNXGLXVSHLQMSC-CYBMUJFWSA-N 1 2 422.532 2.646 20 0 HFADLO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000772797040 1077879768 /nfs/dbraw/zinc/87/97/68/1077879768.db2.gz BTYDGGDDDXBNCK-RYUDHWBXSA-N 1 2 421.410 2.896 20 0 HFADLO C[C@@H](CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)NC(=O)OC(C)(C)C ZINC000792504978 1077893811 /nfs/dbraw/zinc/89/38/11/1077893811.db2.gz CJBMBKLTKMDCJR-HNNXBMFYSA-N 1 2 415.494 2.555 20 0 HFADLO Cc1cccc(CCCOCCOC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)[nH+]1 ZINC000790108235 1077939060 /nfs/dbraw/zinc/93/90/60/1077939060.db2.gz SJVMEGPSNFXKCV-LJQANCHMSA-N 1 2 403.500 2.844 20 0 HFADLO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790131046 1077952532 /nfs/dbraw/zinc/95/25/32/1077952532.db2.gz DYJPPXACJNCCEI-GFCCVEGCSA-N 1 2 423.307 2.657 20 0 HFADLO Cc1[nH]c(-c2cccc(NC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)c2)[nH+]c1C ZINC000746884366 1077957253 /nfs/dbraw/zinc/95/72/53/1077957253.db2.gz PUOJARMEEOQOBG-LJQANCHMSA-N 1 2 420.448 2.891 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)C[C@H](C)O1 ZINC000790121091 1077957664 /nfs/dbraw/zinc/95/76/64/1077957664.db2.gz CTZMEPDDSYQCEM-GASCZTMLSA-N 1 2 407.511 2.920 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)C[C@H](C)O1 ZINC000790121091 1077957668 /nfs/dbraw/zinc/95/76/68/1077957668.db2.gz CTZMEPDDSYQCEM-GASCZTMLSA-N 1 2 407.511 2.920 20 0 HFADLO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000790155774 1077960464 /nfs/dbraw/zinc/96/04/64/1077960464.db2.gz TZQNWDWXCPFDCL-UAGQMJEPSA-N 1 2 405.495 2.822 20 0 HFADLO CNC(=O)c1ccc(C[N@H+](C)Cn2c(=O)oc3cc(F)c(Br)cc32)cc1 ZINC000792706562 1077979426 /nfs/dbraw/zinc/97/94/26/1077979426.db2.gz RLEGLBXJEUIQCR-UHFFFAOYSA-N 1 2 422.254 2.945 20 0 HFADLO CNC(=O)c1ccc(C[N@@H+](C)Cn2c(=O)oc3cc(F)c(Br)cc32)cc1 ZINC000792706562 1077979429 /nfs/dbraw/zinc/97/94/29/1077979429.db2.gz RLEGLBXJEUIQCR-UHFFFAOYSA-N 1 2 422.254 2.945 20 0 HFADLO CC1([C@H]2CCC[N@H+](Cn3c(=O)oc4cc(F)c(Br)cc43)C2)OCCO1 ZINC000792709899 1077980101 /nfs/dbraw/zinc/98/01/01/1077980101.db2.gz UOQOMTYSDXQRFF-NSHDSACASA-N 1 2 415.259 2.929 20 0 HFADLO CC1([C@H]2CCC[N@@H+](Cn3c(=O)oc4cc(F)c(Br)cc43)C2)OCCO1 ZINC000792709899 1077980104 /nfs/dbraw/zinc/98/01/04/1077980104.db2.gz UOQOMTYSDXQRFF-NSHDSACASA-N 1 2 415.259 2.929 20 0 HFADLO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000790320480 1077996669 /nfs/dbraw/zinc/99/66/69/1077996669.db2.gz RSRFOIYDFHEVHC-LSDHHAIUSA-N 1 2 400.516 2.835 20 0 HFADLO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000790320480 1077996670 /nfs/dbraw/zinc/99/66/70/1077996670.db2.gz RSRFOIYDFHEVHC-LSDHHAIUSA-N 1 2 400.516 2.835 20 0 HFADLO COCC[N@H+](CCC(=O)OC)Cc1c(F)ccc(I)c1F ZINC000792821925 1078005790 /nfs/dbraw/zinc/00/57/90/1078005790.db2.gz GXBSPKWVBVVVJT-UHFFFAOYSA-N 1 2 413.202 2.581 20 0 HFADLO COCC[N@@H+](CCC(=O)OC)Cc1c(F)ccc(I)c1F ZINC000792821925 1078005796 /nfs/dbraw/zinc/00/57/96/1078005796.db2.gz GXBSPKWVBVVVJT-UHFFFAOYSA-N 1 2 413.202 2.581 20 0 HFADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000790343472 1078007825 /nfs/dbraw/zinc/00/78/25/1078007825.db2.gz ZDXISHUUCHHURU-CABCVRRESA-N 1 2 400.516 2.835 20 0 HFADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000790343472 1078007831 /nfs/dbraw/zinc/00/78/31/1078007831.db2.gz ZDXISHUUCHHURU-CABCVRRESA-N 1 2 400.516 2.835 20 0 HFADLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)Nc1ccc(N3C[C@@H](C)O[C@H](C)C3)cc1)C[C@H](C)O2 ZINC000790385008 1078010719 /nfs/dbraw/zinc/01/07/19/1078010719.db2.gz CZAZCKLNFMQVTE-BYXWFHEMSA-N 1 2 417.550 2.507 20 0 HFADLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)Nc1ccc(N3C[C@@H](C)O[C@H](C)C3)cc1)C[C@H](C)O2 ZINC000790385008 1078010724 /nfs/dbraw/zinc/01/07/24/1078010724.db2.gz CZAZCKLNFMQVTE-BYXWFHEMSA-N 1 2 417.550 2.507 20 0 HFADLO O=C1NC2(CCOCC2)C(=O)N1C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000772824510 1078025276 /nfs/dbraw/zinc/02/52/76/1078025276.db2.gz ATFZKADQSOZDAJ-UHFFFAOYSA-N 1 2 409.939 2.955 20 0 HFADLO C[N@@H+]1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C[C@H]1Cc1ccccc1 ZINC000790462491 1078028158 /nfs/dbraw/zinc/02/81/58/1078028158.db2.gz YYVLYWPJMFBQJN-MRXNPFEDSA-N 1 2 416.934 2.831 20 0 HFADLO C[N@H+]1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)C[C@H]1Cc1ccccc1 ZINC000790462491 1078028161 /nfs/dbraw/zinc/02/81/61/1078028161.db2.gz YYVLYWPJMFBQJN-MRXNPFEDSA-N 1 2 416.934 2.831 20 0 HFADLO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790434652 1078029877 /nfs/dbraw/zinc/02/98/77/1078029877.db2.gz RXBCPABORBROKZ-JQAFLVLXSA-N 1 2 407.881 2.606 20 0 HFADLO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790434652 1078029883 /nfs/dbraw/zinc/02/98/83/1078029883.db2.gz RXBCPABORBROKZ-JQAFLVLXSA-N 1 2 407.881 2.606 20 0 HFADLO COC(=O)c1c2cnn(C[N@@H+]3CCCC[C@H]3C3OCCO3)c2ccc1Br ZINC000790446251 1078034396 /nfs/dbraw/zinc/03/43/96/1078034396.db2.gz MBGVRPUHCRZQCV-HNNXBMFYSA-N 1 2 424.295 2.770 20 0 HFADLO COC(=O)c1c2cnn(C[N@H+]3CCCC[C@H]3C3OCCO3)c2ccc1Br ZINC000790446251 1078034401 /nfs/dbraw/zinc/03/44/01/1078034401.db2.gz MBGVRPUHCRZQCV-HNNXBMFYSA-N 1 2 424.295 2.770 20 0 HFADLO COCC[N@H+](Cn1nc2n(c1=S)c1ccccc1c(=O)n2C)[C@@H]1CC[C@H](C)C1 ZINC000790476726 1078040417 /nfs/dbraw/zinc/04/04/17/1078040417.db2.gz CONJHJOFWASGGO-LSDHHAIUSA-N 1 2 401.536 2.812 20 0 HFADLO COCC[N@@H+](Cn1nc2n(c1=S)c1ccccc1c(=O)n2C)[C@@H]1CC[C@H](C)C1 ZINC000790476726 1078040423 /nfs/dbraw/zinc/04/04/23/1078040423.db2.gz CONJHJOFWASGGO-LSDHHAIUSA-N 1 2 401.536 2.812 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000806246159 1079521011 /nfs/dbraw/zinc/52/10/11/1079521011.db2.gz SEDBUZPXBZPLKQ-NEYJZJCJSA-N 1 2 402.539 2.627 20 0 HFADLO COc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000806271940 1079534509 /nfs/dbraw/zinc/53/45/09/1079534509.db2.gz SQTRGTGBLYCOQT-SFHVURJKSA-N 1 2 418.538 2.532 20 0 HFADLO CCOc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000806426070 1079671325 /nfs/dbraw/zinc/67/13/25/1079671325.db2.gz XFHDCYAXQGGBKA-MRXNPFEDSA-N 1 2 419.526 2.639 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3ccnn3C(C)(C)C)C2)CC1 ZINC000806436076 1079682715 /nfs/dbraw/zinc/68/27/15/1079682715.db2.gz BKJCNUXHKGAGCQ-INIZCTEOSA-N 1 2 420.558 2.797 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCCOC3CCCCC3)CC2)C1 ZINC000806499112 1079749558 /nfs/dbraw/zinc/74/95/58/1079749558.db2.gz BGEGJXROPPSUSA-SFHVURJKSA-N 1 2 424.586 2.672 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@H]3Cc4ccccc43)CC2)C1 ZINC000806506646 1079757474 /nfs/dbraw/zinc/75/74/74/1079757474.db2.gz BYKXEOWAAQGPFB-MOPGFXCFSA-N 1 2 414.550 2.663 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)N[C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000806536884 1079809472 /nfs/dbraw/zinc/80/94/72/1079809472.db2.gz PNOCQVQFIWCNSV-XUVXKRRUSA-N 1 2 414.550 2.879 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NCc1ccncc1OC[C@@H]1CCOC1 ZINC000806550948 1079815937 /nfs/dbraw/zinc/81/59/37/1079815937.db2.gz JFUZBDPAUQVFJH-GOSISDBHSA-N 1 2 407.474 2.682 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCCSC(C)(C)C)CC2)C1 ZINC000806709639 1079937819 /nfs/dbraw/zinc/93/78/19/1079937819.db2.gz JDRFPYHHNVJRPO-INIZCTEOSA-N 1 2 414.616 2.855 20 0 HFADLO C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1cccc(O)c1 ZINC000806794449 1080014256 /nfs/dbraw/zinc/01/42/56/1080014256.db2.gz QZAIJMRZKQTXGQ-SJLPKXTDSA-N 1 2 418.538 2.790 20 0 HFADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000806842007 1080055080 /nfs/dbraw/zinc/05/50/80/1080055080.db2.gz DPPPSCANXFSZRB-SFHVURJKSA-N 1 2 412.490 2.797 20 0 HFADLO CCOC(=O)C1=C(Nc2nc(Cl)nc3ncn(Cc4ccccc4)c32)CC[NH2+]C1 ZINC001170513295 1080056988 /nfs/dbraw/zinc/05/69/88/1080056988.db2.gz HAQZJTQCISQLAB-UHFFFAOYSA-N 1 2 412.881 2.750 20 0 HFADLO Cc1nc(C)c(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC000806867419 1080068418 /nfs/dbraw/zinc/06/84/18/1080068418.db2.gz RUICKSLEEFDWAQ-INIZCTEOSA-N 1 2 423.583 2.597 20 0 HFADLO CNC(=O)CC[C@@H]1CCCCN1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000806868771 1080069176 /nfs/dbraw/zinc/06/91/76/1080069176.db2.gz GSDAKVCCLOZICX-NRFANRHFSA-N 1 2 415.582 2.812 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000806888320 1080085173 /nfs/dbraw/zinc/08/51/73/1080085173.db2.gz GQGVCDVOCXETCD-ROUUACIJSA-N 1 2 413.534 2.866 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000806888320 1080085186 /nfs/dbraw/zinc/08/51/86/1080085186.db2.gz GQGVCDVOCXETCD-ROUUACIJSA-N 1 2 413.534 2.866 20 0 HFADLO C[C@@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000806964154 1080132438 /nfs/dbraw/zinc/13/24/38/1080132438.db2.gz WOLPCFWYGOCTLY-QZTJIDSGSA-N 1 2 400.567 2.923 20 0 HFADLO COc1ccc2cc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)ccc2c1 ZINC000806942166 1080151682 /nfs/dbraw/zinc/15/16/82/1080151682.db2.gz OIKHDFPGRKWEJX-LEWJYISDSA-N 1 2 411.502 2.547 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@H](C)CCSC ZINC000807051408 1080236187 /nfs/dbraw/zinc/23/61/87/1080236187.db2.gz JGYFWPQZKZELML-HQRMLTQVSA-N 1 2 420.623 2.707 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@H](C)CCSC ZINC000807051408 1080236197 /nfs/dbraw/zinc/23/61/97/1080236197.db2.gz JGYFWPQZKZELML-HQRMLTQVSA-N 1 2 420.623 2.707 20 0 HFADLO Cc1ccncc1[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807065193 1080247546 /nfs/dbraw/zinc/24/75/46/1080247546.db2.gz HJKUCSILYQZACU-QZTJIDSGSA-N 1 2 417.554 2.788 20 0 HFADLO CC(C)[C@@H]1C[C@H](NC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCO1 ZINC000807066283 1080249086 /nfs/dbraw/zinc/24/90/86/1080249086.db2.gz INBAWEJNJSLBQB-QYZOEREBSA-N 1 2 424.586 2.527 20 0 HFADLO O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000807150797 1080308239 /nfs/dbraw/zinc/30/82/39/1080308239.db2.gz XUMWNLRDOUXBKG-QZTJIDSGSA-N 1 2 403.527 2.821 20 0 HFADLO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000807150327 1080308857 /nfs/dbraw/zinc/30/88/57/1080308857.db2.gz QCGCRHBSUHPMNX-SQNIBIBYSA-N 1 2 403.527 2.631 20 0 HFADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)c(Cl)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807156884 1080313531 /nfs/dbraw/zinc/31/35/31/1080313531.db2.gz MXLSQBYABYGYKG-HIFRSBDPSA-N 1 2 411.264 2.802 20 0 HFADLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)c(Cl)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807156884 1080313549 /nfs/dbraw/zinc/31/35/49/1080313549.db2.gz MXLSQBYABYGYKG-HIFRSBDPSA-N 1 2 411.264 2.802 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)c2cc(C)oc21 ZINC000807282802 1080442240 /nfs/dbraw/zinc/44/22/40/1080442240.db2.gz ARYRDMLWPZXJLO-CQSZACIVSA-N 1 2 406.236 2.672 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 ZINC000807284077 1080443181 /nfs/dbraw/zinc/44/31/81/1080443181.db2.gz JEFIOVNXVMZMOZ-INIZCTEOSA-N 1 2 402.451 2.510 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC000807284459 1080445063 /nfs/dbraw/zinc/44/50/63/1080445063.db2.gz QWRXXGOZKJKVIJ-GFCCVEGCSA-N 1 2 406.414 2.916 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-n2ncc3ccccc32)cc1Cl ZINC000807285431 1080448245 /nfs/dbraw/zinc/44/82/45/1080448245.db2.gz WHTGDUOPXMSQGL-GOSISDBHSA-N 1 2 423.860 2.847 20 0 HFADLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)N1CCO[C@H](C)C1)CC2 ZINC000807259302 1080466683 /nfs/dbraw/zinc/46/66/83/1080466683.db2.gz SHIDWRKPMKRZTE-MZNJEOGPSA-N 1 2 410.514 2.899 20 0 HFADLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC(=O)N1CCO[C@H](C)C1)CC2 ZINC000807259302 1080466691 /nfs/dbraw/zinc/46/66/91/1080466691.db2.gz SHIDWRKPMKRZTE-MZNJEOGPSA-N 1 2 410.514 2.899 20 0 HFADLO COc1ccc2cc(NC(=O)C(=O)Nc3ccc(N4CCOCC4)[nH+]c3C)ccc2c1 ZINC000807307003 1080499598 /nfs/dbraw/zinc/49/95/98/1080499598.db2.gz ITDNCNZMAQZAPS-UHFFFAOYSA-N 1 2 420.469 2.966 20 0 HFADLO Cc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000747400048 1080634611 /nfs/dbraw/zinc/63/46/11/1080634611.db2.gz FKLFUNNSMDPDOQ-QGZVFWFLSA-N 1 2 412.534 2.957 20 0 HFADLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C(N)=O)c(Cl)n2)[C@@H](C)C1 ZINC000807473847 1080726059 /nfs/dbraw/zinc/72/60/59/1080726059.db2.gz ZDUKMAQHHDAFDB-AWEZNQCLSA-N 1 2 416.909 2.579 20 0 HFADLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C(N)=O)c(Cl)n2)[C@@H](C)C1 ZINC000807473847 1080726062 /nfs/dbraw/zinc/72/60/62/1080726062.db2.gz ZDUKMAQHHDAFDB-AWEZNQCLSA-N 1 2 416.909 2.579 20 0 HFADLO C[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)Cn1cc[nH+]c1 ZINC000747401447 1080765498 /nfs/dbraw/zinc/76/54/98/1080765498.db2.gz XDOBLAXPGYQWHC-ZDUSSCGKSA-N 1 2 412.943 2.679 20 0 HFADLO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000747400888 1080781186 /nfs/dbraw/zinc/78/11/86/1080781186.db2.gz OYUXWHJHHCBTSS-AWEZNQCLSA-N 1 2 412.943 2.632 20 0 HFADLO COC(=O)[C@]1(C)CCCN1c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164388331 718805067 /nfs/dbraw/zinc/80/50/67/718805067.db2.gz BSEKBEYBXAPRAN-DEOSSOPVSA-N 1 2 422.529 2.572 20 0 HFADLO O=C(c1cccnc1N1CC[C@@]2(CCOC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164389486 718807463 /nfs/dbraw/zinc/80/74/63/718807463.db2.gz JBYPCLWLPHZIAQ-XMMPIXPASA-N 1 2 406.530 2.656 20 0 HFADLO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4[nH]c(C)nc43)CC2)CC1 ZINC001164614142 719024430 /nfs/dbraw/zinc/02/44/30/719024430.db2.gz NXHIVHVZCCPXBY-UHFFFAOYSA-N 1 2 406.918 2.559 20 0 HFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(N)=O)cn1)CC2 ZINC001164663878 719347569 /nfs/dbraw/zinc/34/75/69/719347569.db2.gz OHZKFZDYDKOGDS-UHFFFAOYSA-N 1 2 416.529 2.875 20 0 HFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(N)=O)cn1)CC2 ZINC001164663878 719347574 /nfs/dbraw/zinc/34/75/74/719347574.db2.gz OHZKFZDYDKOGDS-UHFFFAOYSA-N 1 2 416.529 2.875 20 0 HFADLO Cn1c(=O)ccc2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc21 ZINC001164673895 719509188 /nfs/dbraw/zinc/50/91/88/719509188.db2.gz UKJXSRCMJDBXAV-UHFFFAOYSA-N 1 2 422.504 2.944 20 0 HFADLO Cn1c(=O)ccc2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc21 ZINC001164673895 719509203 /nfs/dbraw/zinc/50/92/03/719509203.db2.gz UKJXSRCMJDBXAV-UHFFFAOYSA-N 1 2 422.504 2.944 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2cccc(F)c21 ZINC001164698674 719849479 /nfs/dbraw/zinc/84/94/79/719849479.db2.gz GUDOKWCUBQCWKS-ZUOKHONESA-N 1 2 422.888 2.655 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C(C)(C)C)n1 ZINC001164707147 719864302 /nfs/dbraw/zinc/86/43/02/719864302.db2.gz QUPABFDHKYVNBP-VLIAUNLRSA-N 1 2 410.946 2.660 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(F)cc2)nn1 ZINC001164707155 719870869 /nfs/dbraw/zinc/87/08/69/719870869.db2.gz QURFCROKTCJSEB-PGRDOPGGSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cc(C)ccc2C)nn1 ZINC001164706064 719870956 /nfs/dbraw/zinc/87/09/56/719870956.db2.gz OMCBZFYQPUUNSC-CYFREDJKSA-N 1 2 424.545 2.993 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C2CCC2)nc(Cl)c1C ZINC001164699103 719877855 /nfs/dbraw/zinc/87/78/55/719877855.db2.gz ADTLAHLPCMPEEW-HRAATJIYSA-N 1 2 422.957 2.939 20 0 HFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164708730 719902325 /nfs/dbraw/zinc/90/23/25/719902325.db2.gz JGUGHGFWJBHANN-UHFFFAOYSA-N 1 2 424.936 2.572 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCO[C@@H]2[C@H](OCC(=O)N3CCCC3)CC[C@H]21 ZINC001164713916 720087695 /nfs/dbraw/zinc/08/76/95/720087695.db2.gz VEGGGUKHARSMJS-HLIPFELVSA-N 1 2 407.942 2.841 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCO[C@@H]2[C@H](OCC(=O)N3CCCC3)CC[C@H]21 ZINC001164713916 720087702 /nfs/dbraw/zinc/08/77/02/720087702.db2.gz VEGGGUKHARSMJS-HLIPFELVSA-N 1 2 407.942 2.841 20 0 HFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(Cl)cc(Cl)nc3Cl)C2)C1 ZINC001164718878 720230767 /nfs/dbraw/zinc/23/07/67/720230767.db2.gz OCNQJSYSWDUJOY-KRWDZBQOSA-N 1 2 421.756 2.707 20 0 HFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(Cl)cc(Cl)nc3Cl)C2)C1 ZINC001164718878 720230781 /nfs/dbraw/zinc/23/07/81/720230781.db2.gz OCNQJSYSWDUJOY-KRWDZBQOSA-N 1 2 421.756 2.707 20 0 HFADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Oc1cnc(Cl)cn1 ZINC001164721107 720317033 /nfs/dbraw/zinc/31/70/33/720317033.db2.gz FCPFAKIJLBREMO-ZDUSSCGKSA-N 1 2 414.844 2.572 20 0 HFADLO FC(F)(COc1cncc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758994 720980357 /nfs/dbraw/zinc/98/03/57/720980357.db2.gz YFGOUWNNSCJMEE-CQSZACIVSA-N 1 2 413.856 2.857 20 0 HFADLO FC(F)(c1cncc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770080 721275334 /nfs/dbraw/zinc/27/53/34/721275334.db2.gz UUBMXKAHQZGEDD-CYBMUJFWSA-N 1 2 406.824 2.982 20 0 HFADLO FC(F)(c1cncc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770082 721275514 /nfs/dbraw/zinc/27/55/14/721275514.db2.gz UUBMXKAHQZGEDD-ZDUSSCGKSA-N 1 2 406.824 2.982 20 0 HFADLO CCOC(=O)c1cc(Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1 ZINC001165009002 721693192 /nfs/dbraw/zinc/69/31/92/721693192.db2.gz NCWSQSZJGPPTOS-UHFFFAOYSA-N 1 2 406.918 2.754 20 0 HFADLO CCOC(=O)c1cc(Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1 ZINC001165009002 721693194 /nfs/dbraw/zinc/69/31/94/721693194.db2.gz NCWSQSZJGPPTOS-UHFFFAOYSA-N 1 2 406.918 2.754 20 0 HFADLO COc1ccccc1-c1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)ncn1 ZINC001165009022 721715841 /nfs/dbraw/zinc/71/58/41/721715841.db2.gz NEIYREHLRCTEEH-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO COc1ccccc1-c1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)ncn1 ZINC001165009022 721715848 /nfs/dbraw/zinc/71/58/48/721715848.db2.gz NEIYREHLRCTEEH-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO F[C@H](c1ccnc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916434 721782237 /nfs/dbraw/zinc/78/22/37/721782237.db2.gz QZAGOJSAHHAOGA-PMACEKPBSA-N 1 2 406.889 2.702 20 0 HFADLO F[C@H](c1ccnc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916434 721782241 /nfs/dbraw/zinc/78/22/41/721782241.db2.gz QZAGOJSAHHAOGA-PMACEKPBSA-N 1 2 406.889 2.702 20 0 HFADLO CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164987633 722184676 /nfs/dbraw/zinc/18/46/76/722184676.db2.gz KZLIIJDPDPQNHA-OALUTQOASA-N 1 2 415.563 2.983 20 0 HFADLO C[C@@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1nnnn1C1CC1 ZINC000790534551 1078053058 /nfs/dbraw/zinc/05/30/58/1078053058.db2.gz QPMTXNMVDAWXGL-WBMJQRKESA-N 1 2 408.428 2.869 20 0 HFADLO Cn1cc[nH+]c1C[C@@H](NC(=O)N(CCO)Cc1cccnc1Cl)c1ccccc1 ZINC000793064021 1078060431 /nfs/dbraw/zinc/06/04/31/1078060431.db2.gz YGLSCBSRJNRULH-GOSISDBHSA-N 1 2 413.909 2.956 20 0 HFADLO CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCCC2)cc1 ZINC001170141360 1078073588 /nfs/dbraw/zinc/07/35/88/1078073588.db2.gz VKWLZCFCZGUWQB-LJQANCHMSA-N 1 2 417.506 2.889 20 0 HFADLO CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2COC(=O)N2CCCC2)cc1 ZINC001170141360 1078073592 /nfs/dbraw/zinc/07/35/92/1078073592.db2.gz VKWLZCFCZGUWQB-LJQANCHMSA-N 1 2 417.506 2.889 20 0 HFADLO COc1ccccc1[C@@H](CNC(=O)CCc1c[nH+]cn1C)NC(=O)OC(C)(C)C ZINC000793117066 1078083667 /nfs/dbraw/zinc/08/36/67/1078083667.db2.gz NUJOXECAICXUGZ-QGZVFWFLSA-N 1 2 402.495 2.744 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Nc2cccc(-n3cc[nH]c3=O)c2)[C@@H]1c1c[nH+]cn1C ZINC000793131123 1078086771 /nfs/dbraw/zinc/08/67/71/1078086771.db2.gz HPAPGRTUXBZTPG-YLJYHZDGSA-N 1 2 422.489 2.640 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000793239030 1078108437 /nfs/dbraw/zinc/10/84/37/1078108437.db2.gz SMKXFLUZHJPCFI-UHFFFAOYSA-N 1 2 411.549 2.882 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000793249966 1078109925 /nfs/dbraw/zinc/10/99/25/1078109925.db2.gz LDVYDIYQZJQWJF-UHFFFAOYSA-N 1 2 403.435 2.760 20 0 HFADLO C[C@@H]1CCc2c(sc3nc(CCC(=O)OCCc4c[nH+]cn4C)[nH]c(=O)c32)C1 ZINC000793258664 1078112025 /nfs/dbraw/zinc/11/20/25/1078112025.db2.gz QVZGRXXARCPPGV-GFCCVEGCSA-N 1 2 400.504 2.974 20 0 HFADLO COc1cc(OC2CC2)ccc1C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000790761576 1078113366 /nfs/dbraw/zinc/11/33/66/1078113366.db2.gz SOLNOZCBWIKIBL-OAHLLOKOSA-N 1 2 419.522 2.517 20 0 HFADLO COc1cc(OC2CC2)ccc1C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000790761576 1078113369 /nfs/dbraw/zinc/11/33/69/1078113369.db2.gz SOLNOZCBWIKIBL-OAHLLOKOSA-N 1 2 419.522 2.517 20 0 HFADLO COc1cc(OC2CC2)ccc1C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000790761574 1078113386 /nfs/dbraw/zinc/11/33/86/1078113386.db2.gz SOLNOZCBWIKIBL-HNNXBMFYSA-N 1 2 419.522 2.517 20 0 HFADLO COc1cc(OC2CC2)ccc1C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000790761574 1078113388 /nfs/dbraw/zinc/11/33/88/1078113388.db2.gz SOLNOZCBWIKIBL-HNNXBMFYSA-N 1 2 419.522 2.517 20 0 HFADLO COCC1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793306760 1078123588 /nfs/dbraw/zinc/12/35/88/1078123588.db2.gz XTBXVMZXMZDRNV-UHFFFAOYSA-N 1 2 406.527 2.779 20 0 HFADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(F)(F)C1CCOCC1 ZINC000790783925 1078133522 /nfs/dbraw/zinc/13/35/22/1078133522.db2.gz HNPSUHJAUOHBJC-UHFFFAOYSA-N 1 2 401.885 2.640 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000793383115 1078161125 /nfs/dbraw/zinc/16/11/25/1078161125.db2.gz MFKBTIXJNIAUQV-QRQLOZEOSA-N 1 2 419.485 2.708 20 0 HFADLO CC1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C1)C2=O ZINC000793724644 1078266919 /nfs/dbraw/zinc/26/69/19/1078266919.db2.gz UWXHBNCLBMYZEG-JBLFJGJOSA-N 1 2 420.554 2.776 20 0 HFADLO CC1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C1)C2=O ZINC000793724644 1078266924 /nfs/dbraw/zinc/26/69/24/1078266924.db2.gz UWXHBNCLBMYZEG-JBLFJGJOSA-N 1 2 420.554 2.776 20 0 HFADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000793690827 1078269353 /nfs/dbraw/zinc/26/93/53/1078269353.db2.gz VTLRTCQPTNCGTJ-QGZVFWFLSA-N 1 2 404.511 2.811 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000793744018 1078287917 /nfs/dbraw/zinc/28/79/17/1078287917.db2.gz FIAQXIIEFSFUEZ-RBBKRZOGSA-N 1 2 418.497 2.773 20 0 HFADLO CC(C)Cn1c(=S)n(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)nc1N1CCOCC1 ZINC000793740907 1078287089 /nfs/dbraw/zinc/28/70/89/1078287089.db2.gz GQEUUTDWVLEKLW-SFHVURJKSA-N 1 2 409.600 2.613 20 0 HFADLO CC(C)Cn1c(=S)n(C[N@H+]2CCOC[C@@H](C3CCC3)C2)nc1N1CCOCC1 ZINC000793740907 1078287095 /nfs/dbraw/zinc/28/70/95/1078287095.db2.gz GQEUUTDWVLEKLW-SFHVURJKSA-N 1 2 409.600 2.613 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1C ZINC000793753401 1078291868 /nfs/dbraw/zinc/29/18/68/1078291868.db2.gz XVOCYGPTDUXJGS-GHTZIAJQSA-N 1 2 411.502 2.607 20 0 HFADLO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000793776992 1078308739 /nfs/dbraw/zinc/30/87/39/1078308739.db2.gz DCKGPTLCZABZPN-LJQANCHMSA-N 1 2 412.534 2.794 20 0 HFADLO CC[C@H]1CC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(I)cc2)C1=O ZINC000793822292 1078317395 /nfs/dbraw/zinc/31/73/95/1078317395.db2.gz WIQYDCDMBWGGMH-BBRMVZONSA-N 1 2 413.259 2.500 20 0 HFADLO CC[C@H]1CC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(I)cc2)C1=O ZINC000793822292 1078317400 /nfs/dbraw/zinc/31/74/00/1078317400.db2.gz WIQYDCDMBWGGMH-BBRMVZONSA-N 1 2 413.259 2.500 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000793811971 1078314998 /nfs/dbraw/zinc/31/49/98/1078314998.db2.gz NVSMYJZCHFHLKK-PGRDOPGGSA-N 1 2 409.571 2.783 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000793811971 1078315003 /nfs/dbraw/zinc/31/50/03/1078315003.db2.gz NVSMYJZCHFHLKK-PGRDOPGGSA-N 1 2 409.571 2.783 20 0 HFADLO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC001170439208 1078328795 /nfs/dbraw/zinc/32/87/95/1078328795.db2.gz ZKYHWABSZXRKRE-SFHVURJKSA-N 1 2 420.506 2.882 20 0 HFADLO CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000793863520 1078326768 /nfs/dbraw/zinc/32/67/68/1078326768.db2.gz SZBVAPUADHABLU-OCCSQVGLSA-N 1 2 408.449 2.996 20 0 HFADLO O=C(c1cccc2[nH+]ccn21)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000794045525 1078365094 /nfs/dbraw/zinc/36/50/94/1078365094.db2.gz LRDBYMTZCYCWFH-UHFFFAOYSA-N 1 2 400.438 2.793 20 0 HFADLO COC(=O)c1cnc(NC[C@]2([NH+]3CCOCC3)CCSC2)cc1C(F)(F)F ZINC000804371596 1078437522 /nfs/dbraw/zinc/43/75/22/1078437522.db2.gz CUHMSEBDRFMMLX-MRXNPFEDSA-N 1 2 405.442 2.507 20 0 HFADLO CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001129398255 1078438892 /nfs/dbraw/zinc/43/88/92/1078438892.db2.gz OQNXQEIRZPETAM-JOCHJYFZSA-N 1 2 421.541 2.537 20 0 HFADLO CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001129398255 1078438897 /nfs/dbraw/zinc/43/88/97/1078438897.db2.gz OQNXQEIRZPETAM-JOCHJYFZSA-N 1 2 421.541 2.537 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC000804436968 1078480686 /nfs/dbraw/zinc/48/06/86/1078480686.db2.gz UTYQCIPPGHKFLT-UYAOXDASSA-N 1 2 420.513 2.849 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)OC(C)(C)C ZINC000804436988 1078481104 /nfs/dbraw/zinc/48/11/04/1078481104.db2.gz UXBWUHDRAGUZFV-OBKDMQGPSA-N 1 2 421.582 2.876 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000804436588 1078482026 /nfs/dbraw/zinc/48/20/26/1078482026.db2.gz QUKSTUUTYZZQDZ-IAISJRAMSA-N 1 2 412.317 2.808 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804438459 1078503864 /nfs/dbraw/zinc/50/38/64/1078503864.db2.gz OZVXODBICCSDSM-YZGWKJHDSA-N 1 2 417.550 2.964 20 0 HFADLO CCNc1nc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000804496012 1078552239 /nfs/dbraw/zinc/55/22/39/1078552239.db2.gz UKORGUGWSRVMGU-ZIAGYGMSSA-N 1 2 407.563 2.675 20 0 HFADLO CCNc1nc(N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000804563565 1078599186 /nfs/dbraw/zinc/59/91/86/1078599186.db2.gz SPZPRJQTQISMKZ-ZIAGYGMSSA-N 1 2 407.563 2.818 20 0 HFADLO CC[C@H](C)CC[C@@H](O)CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804762557 1078613926 /nfs/dbraw/zinc/61/39/26/1078613926.db2.gz JRSHKILEOAVSSU-GBESFXJTSA-N 1 2 411.587 2.717 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C\c3ccnc(Cl)c3)C2)CC1 ZINC000804760951 1078612548 /nfs/dbraw/zinc/61/25/48/1078612548.db2.gz RZAVHCGWUQTSRJ-VGOKWCNXSA-N 1 2 420.941 2.902 20 0 HFADLO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804763746 1078615195 /nfs/dbraw/zinc/61/51/95/1078615195.db2.gz QIJFDZBWEWYFHH-CRAIPNDOSA-N 1 2 419.570 2.674 20 0 HFADLO CC(=O)[C@H](C)CCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804762936 1078616778 /nfs/dbraw/zinc/61/67/78/1078616778.db2.gz MVDVLFJBEAHPAV-IEBWSBKVSA-N 1 2 409.571 2.926 20 0 HFADLO COc1cccc([C@@H](CNC(=O)CSc2n[nH]c(=S)s2)[NH+]2CCCC2)c1 ZINC000747199963 1078638618 /nfs/dbraw/zinc/63/86/18/1078638618.db2.gz LCOYOJXYFJUZHH-CQSZACIVSA-N 1 2 410.590 2.881 20 0 HFADLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC001129726822 1078676352 /nfs/dbraw/zinc/67/63/52/1078676352.db2.gz HMJOQOWLRPPYPZ-CYBMUJFWSA-N 1 2 414.333 2.573 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)nn3)C2)CC1 ZINC000804835531 1078676981 /nfs/dbraw/zinc/67/69/81/1078676981.db2.gz YITKGWLMWSKJMY-CYBMUJFWSA-N 1 2 401.433 2.627 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCCCc3ccccc3)C2)CC1 ZINC000804859082 1078685462 /nfs/dbraw/zinc/68/54/62/1078685462.db2.gz BHUNOYUKYJQXDX-FQEVSTJZSA-N 1 2 416.566 2.956 20 0 HFADLO C[C@H](CCc1ccco1)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804870604 1078692969 /nfs/dbraw/zinc/69/29/69/1078692969.db2.gz FFSYYYHAQJTDPX-QZTJIDSGSA-N 1 2 420.554 2.937 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c1C ZINC000805028954 1078840215 /nfs/dbraw/zinc/84/02/15/1078840215.db2.gz DUMDDXIFOIUHEL-UHFFFAOYSA-N 1 2 419.913 2.793 20 0 HFADLO C[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805003118 1078848702 /nfs/dbraw/zinc/84/87/02/1078848702.db2.gz KEKKHODGDPOPTG-ZQIUZPCESA-N 1 2 423.439 2.859 20 0 HFADLO Cc1ccc2c(c1)[C@H](NC(=O)C(=O)NC1CC[NH+](c3ccc(N(C)C)cc3)CC1)CC2 ZINC000805056503 1078869015 /nfs/dbraw/zinc/86/90/15/1078869015.db2.gz ZQMQAPGGMQEBFM-HSZRJFAPSA-N 1 2 420.557 2.950 20 0 HFADLO C[C@H]1[C@H](c2cccc(F)c2)OCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001130073096 1078905567 /nfs/dbraw/zinc/90/55/67/1078905567.db2.gz MCUCIUJRSWKFNR-HRAATJIYSA-N 1 2 400.498 2.760 20 0 HFADLO CS[C@@H]1CC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000805160409 1078952288 /nfs/dbraw/zinc/95/22/88/1078952288.db2.gz XYLQYQRJCBHAMF-IXDOHACOSA-N 1 2 412.600 2.607 20 0 HFADLO CS[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000805160404 1078952296 /nfs/dbraw/zinc/95/22/96/1078952296.db2.gz XYLQYQRJCBHAMF-BRWVUGGUSA-N 1 2 412.600 2.607 20 0 HFADLO CCC(CC)(CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000805166534 1078956121 /nfs/dbraw/zinc/95/61/21/1078956121.db2.gz NRHLLWJXIRXAAO-IAGOWNOFSA-N 1 2 412.575 2.575 20 0 HFADLO CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000805199856 1078972107 /nfs/dbraw/zinc/97/21/07/1078972107.db2.gz GQHWGHQHERZFIQ-KZNAEPCWSA-N 1 2 412.575 2.575 20 0 HFADLO CC(C)[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC000805253945 1078999149 /nfs/dbraw/zinc/99/91/49/1078999149.db2.gz RPWLBMAMKWAPJR-OTWHNJEPSA-N 1 2 424.586 2.527 20 0 HFADLO COC(=O)/C=C/c1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000747237106 1079033047 /nfs/dbraw/zinc/03/30/47/1079033047.db2.gz VUEFIACYZWWSEL-FMIVXFBMSA-N 1 2 414.527 2.688 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000805474813 1079091705 /nfs/dbraw/zinc/09/17/05/1079091705.db2.gz SOGGXKMXOBOMMK-FPOVZHCZSA-N 1 2 416.905 2.810 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000805474813 1079091714 /nfs/dbraw/zinc/09/17/14/1079091714.db2.gz SOGGXKMXOBOMMK-FPOVZHCZSA-N 1 2 416.905 2.810 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)C1 ZINC000805477221 1079092184 /nfs/dbraw/zinc/09/21/84/1079092184.db2.gz FPJNIAKGXRQTJX-PXNSSMCTSA-N 1 2 402.516 2.526 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)C1 ZINC000805477221 1079092203 /nfs/dbraw/zinc/09/22/03/1079092203.db2.gz FPJNIAKGXRQTJX-PXNSSMCTSA-N 1 2 402.516 2.526 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000805473290 1079089550 /nfs/dbraw/zinc/08/95/50/1079089550.db2.gz FMCFVYLRUVEUTC-UTKZUKDTSA-N 1 2 412.486 2.857 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000805473290 1079089556 /nfs/dbraw/zinc/08/95/56/1079089556.db2.gz FMCFVYLRUVEUTC-UTKZUKDTSA-N 1 2 412.486 2.857 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000805474811 1079091102 /nfs/dbraw/zinc/09/11/02/1079091102.db2.gz SOGGXKMXOBOMMK-CTNGQTDRSA-N 1 2 416.905 2.810 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000805474811 1079091106 /nfs/dbraw/zinc/09/11/06/1079091106.db2.gz SOGGXKMXOBOMMK-CTNGQTDRSA-N 1 2 416.905 2.810 20 0 HFADLO CCc1ccc(-c2csc(NC(=O)COC(=O)[C@@H]3C[N@H+](CC)CCO3)n2)cc1 ZINC000805475305 1079091127 /nfs/dbraw/zinc/09/11/27/1079091127.db2.gz NINILLYDVYGDCI-KRWDZBQOSA-N 1 2 403.504 2.575 20 0 HFADLO CCc1ccc(-c2csc(NC(=O)COC(=O)[C@@H]3C[N@@H+](CC)CCO3)n2)cc1 ZINC000805475305 1079091132 /nfs/dbraw/zinc/09/11/32/1079091132.db2.gz NINILLYDVYGDCI-KRWDZBQOSA-N 1 2 403.504 2.575 20 0 HFADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC=CO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805515936 1079114948 /nfs/dbraw/zinc/11/49/48/1079114948.db2.gz DUWFZRWXDPIZQL-ZYSHUDEJSA-N 1 2 423.916 2.928 20 0 HFADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC=CO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000805515936 1079114952 /nfs/dbraw/zinc/11/49/52/1079114952.db2.gz DUWFZRWXDPIZQL-ZYSHUDEJSA-N 1 2 423.916 2.928 20 0 HFADLO Cc1cccc(C)c1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000805679894 1079216739 /nfs/dbraw/zinc/21/67/39/1079216739.db2.gz RLKUXFXXWZQZJI-VQTJNVASSA-N 1 2 401.457 2.759 20 0 HFADLO Cc1cccc(C)c1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000805679894 1079216744 /nfs/dbraw/zinc/21/67/44/1079216744.db2.gz RLKUXFXXWZQZJI-VQTJNVASSA-N 1 2 401.457 2.759 20 0 HFADLO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805785683 1079252316 /nfs/dbraw/zinc/25/23/16/1079252316.db2.gz LMVHIJPBEMWPKO-OVWQWFNUSA-N 1 2 402.457 2.821 20 0 HFADLO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805785683 1079252320 /nfs/dbraw/zinc/25/23/20/1079252320.db2.gz LMVHIJPBEMWPKO-OVWQWFNUSA-N 1 2 402.457 2.821 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](CC(=O)NCC(=O)c1ccccc1)C2 ZINC000805794343 1079259154 /nfs/dbraw/zinc/25/91/54/1079259154.db2.gz SHFUJAYEPMMVDM-HSZRJFAPSA-N 1 2 415.534 2.709 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(=O)NCC(=O)c1ccccc1)C2 ZINC000805794343 1079259160 /nfs/dbraw/zinc/25/91/60/1079259160.db2.gz SHFUJAYEPMMVDM-HSZRJFAPSA-N 1 2 415.534 2.709 20 0 HFADLO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC001130370941 1079270816 /nfs/dbraw/zinc/27/08/16/1079270816.db2.gz XGIFSABPMOBOHQ-MCIONIFRSA-N 1 2 417.369 2.552 20 0 HFADLO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC001130370941 1079270820 /nfs/dbraw/zinc/27/08/20/1079270820.db2.gz XGIFSABPMOBOHQ-MCIONIFRSA-N 1 2 417.369 2.552 20 0 HFADLO COC[C@@]1(CNC(=O)NCc2ccn3cc[nH+]c3c2)CCCN1C(=O)OC(C)(C)C ZINC000805857973 1079305957 /nfs/dbraw/zinc/30/59/57/1079305957.db2.gz LKPHAADYEVCMMU-NRFANRHFSA-N 1 2 417.510 2.550 20 0 HFADLO CC(=O)[C@H]1CC(C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)=NN1c1ccccc1 ZINC001130551031 1079487750 /nfs/dbraw/zinc/48/77/50/1079487750.db2.gz VSGWIEPXRGNPPY-FYYLOGMGSA-N 1 2 404.514 2.596 20 0 HFADLO CC(=O)[C@H]1CC(C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)=NN1c1ccccc1 ZINC001130551031 1079487752 /nfs/dbraw/zinc/48/77/52/1079487752.db2.gz VSGWIEPXRGNPPY-FYYLOGMGSA-N 1 2 404.514 2.596 20 0 HFADLO CC(C)NC(=O)OC1CN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000806213218 1079498190 /nfs/dbraw/zinc/49/81/90/1079498190.db2.gz NRCXRPDZAWTENN-HZPDHXFCSA-N 1 2 404.511 2.647 20 0 HFADLO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)ccc1N1CCSCC1 ZINC000806247602 1079500692 /nfs/dbraw/zinc/50/06/92/1079500692.db2.gz NAYCCYYWTJOJSQ-MJGOQNOKSA-N 1 2 404.580 2.875 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)n[nH]2)C1 ZINC000787310251 1076757760 /nfs/dbraw/zinc/75/77/60/1076757760.db2.gz OOJKTFHORWEQOG-GJZGRUSLSA-N 1 2 414.510 2.877 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)n[nH]2)C1 ZINC000787313327 1076758852 /nfs/dbraw/zinc/75/88/52/1076758852.db2.gz AFGROPSXHGJQGZ-JKSUJKDBSA-N 1 2 414.510 2.808 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000787350876 1076791038 /nfs/dbraw/zinc/79/10/38/1076791038.db2.gz ACUOIDXVIDCBTD-RTBURBONSA-N 1 2 416.566 2.618 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000787350876 1076791040 /nfs/dbraw/zinc/79/10/40/1076791040.db2.gz ACUOIDXVIDCBTD-RTBURBONSA-N 1 2 416.566 2.618 20 0 HFADLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1C ZINC000787352929 1076792730 /nfs/dbraw/zinc/79/27/30/1076792730.db2.gz SIVUIXMDAVRYJG-MRXNPFEDSA-N 1 2 404.511 2.941 20 0 HFADLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1C ZINC000787352929 1076792734 /nfs/dbraw/zinc/79/27/34/1076792734.db2.gz SIVUIXMDAVRYJG-MRXNPFEDSA-N 1 2 404.511 2.941 20 0 HFADLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787352456 1076793010 /nfs/dbraw/zinc/79/30/10/1076793010.db2.gz LYUWHYSOLHJLSW-QZTJIDSGSA-N 1 2 422.522 2.627 20 0 HFADLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000787352456 1076793013 /nfs/dbraw/zinc/79/30/13/1076793013.db2.gz LYUWHYSOLHJLSW-QZTJIDSGSA-N 1 2 422.522 2.627 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000787355614 1076794783 /nfs/dbraw/zinc/79/47/83/1076794783.db2.gz ASALRIMLDXEXQJ-MOPGFXCFSA-N 1 2 421.513 2.715 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000787355614 1076794785 /nfs/dbraw/zinc/79/47/85/1076794785.db2.gz ASALRIMLDXEXQJ-MOPGFXCFSA-N 1 2 421.513 2.715 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000787356149 1076794803 /nfs/dbraw/zinc/79/48/03/1076794803.db2.gz YPLGYRQDHXQQTG-MRXNPFEDSA-N 1 2 409.502 2.700 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000787356149 1076794806 /nfs/dbraw/zinc/79/48/06/1076794806.db2.gz YPLGYRQDHXQQTG-MRXNPFEDSA-N 1 2 409.502 2.700 20 0 HFADLO CC(C)(C)OC(=O)NCCOCC[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000787711964 1076922901 /nfs/dbraw/zinc/92/29/01/1076922901.db2.gz QUVRUOQQOCOOEX-UHFFFAOYSA-N 1 2 411.930 2.639 20 0 HFADLO C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787736031 1076935470 /nfs/dbraw/zinc/93/54/70/1076935470.db2.gz FZZFUHOHCZBBFW-RVHYNSKXSA-N 1 2 414.527 2.744 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)c1C ZINC000787852956 1076964844 /nfs/dbraw/zinc/96/48/44/1076964844.db2.gz CDJUZPXTDVOVAU-ZDUSSCGKSA-N 1 2 407.417 2.802 20 0 HFADLO CC(C)(C)OC(=O)NC1(CO)CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000788002444 1077024870 /nfs/dbraw/zinc/02/48/70/1077024870.db2.gz CXHNWBXXFGXGPR-UHFFFAOYSA-N 1 2 404.486 2.863 20 0 HFADLO C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004987 1077026772 /nfs/dbraw/zinc/02/67/72/1077026772.db2.gz XQDZNRKAENETOV-QGZVFWFLSA-N 1 2 417.550 2.706 20 0 HFADLO CN(C)c1ccc(N2C(=O)C[C@@H](N3CCC(c4[nH+]cc5n4CCCC5)CC3)C2=O)cc1 ZINC000788332936 1077105057 /nfs/dbraw/zinc/10/50/57/1077105057.db2.gz YQDUDPPGDHQYLX-OAQYLSRUSA-N 1 2 421.545 2.797 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000788438547 1077146958 /nfs/dbraw/zinc/14/69/58/1077146958.db2.gz VFZLHCTUPNERPP-JQHSSLGASA-N 1 2 406.527 2.648 20 0 HFADLO CC(C)(C)c1ccc(S(=O)(=O)CC[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000788469961 1077169979 /nfs/dbraw/zinc/16/99/79/1077169979.db2.gz SSBDGCCVAVVFOH-IBGZPJMESA-N 1 2 405.564 2.927 20 0 HFADLO O=C(C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000788470685 1077170356 /nfs/dbraw/zinc/17/03/56/1077170356.db2.gz IPGCMDYKPUHNJV-UWJYYQICSA-N 1 2 423.473 2.719 20 0 HFADLO CC(C)(C)OC(=O)N1CCN(CCN2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000788484514 1077176886 /nfs/dbraw/zinc/17/68/86/1077176886.db2.gz ZCLJCEKPMGOSTA-JXMROGBWSA-N 1 2 414.594 2.870 20 0 HFADLO CCOC(=O)[C@@H]1[C@@H]([NH2+][C@@H](CO)c2c(F)cccc2F)CCN1C(=O)OC(C)(C)C ZINC000788647509 1077224666 /nfs/dbraw/zinc/22/46/66/1077224666.db2.gz VHWUCPBPEYZGJF-ZOBUZTSGSA-N 1 2 414.449 2.529 20 0 HFADLO C[C@@H]1C[N@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000788769200 1077282768 /nfs/dbraw/zinc/28/27/68/1077282768.db2.gz ICQCCDLHPPWVEV-NZSAHSFTSA-N 1 2 415.534 2.797 20 0 HFADLO C[C@@H]1C[N@@H+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000788769200 1077282775 /nfs/dbraw/zinc/28/27/75/1077282775.db2.gz ICQCCDLHPPWVEV-NZSAHSFTSA-N 1 2 415.534 2.797 20 0 HFADLO O=C(NC1CC[NH+](CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)CC1)C1CCCCC1 ZINC000788769603 1077283692 /nfs/dbraw/zinc/28/36/92/1077283692.db2.gz CLOSLNWSYOQNNJ-HXUWFJFHSA-N 1 2 411.546 2.723 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N(C)[C@@H]3CCN(Cc4ccccc4)C3=O)[nH+]c12 ZINC000788805287 1077293358 /nfs/dbraw/zinc/29/33/58/1077293358.db2.gz YSHODUBNUKHPBI-HXUWFJFHSA-N 1 2 405.502 2.628 20 0 HFADLO COC(=O)N1CCN(c2cc[nH+]cc2NS(=O)(=O)c2cccc(C(C)C)c2)CC1 ZINC000791109032 1077300620 /nfs/dbraw/zinc/30/06/20/1077300620.db2.gz KOZSJWOIRYNWAC-UHFFFAOYSA-N 1 2 418.519 2.894 20 0 HFADLO CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788835383 1077314797 /nfs/dbraw/zinc/31/47/97/1077314797.db2.gz SIYXUQLLLSBDGU-NVXWUHKLSA-N 1 2 407.536 2.804 20 0 HFADLO O=C(c1ccc(N2CCCS2(=O)=O)cc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788835670 1077315548 /nfs/dbraw/zinc/31/55/48/1077315548.db2.gz VYAPNTXUYOOBKD-MRXNPFEDSA-N 1 2 421.906 2.568 20 0 HFADLO C[C@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc(OC(F)(F)F)c1 ZINC000788852116 1077320448 /nfs/dbraw/zinc/32/04/48/1077320448.db2.gz DOXAAIUYDCXNNT-ZDUSSCGKSA-N 1 2 424.423 2.654 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C3CC3)[nH+]c12 ZINC000746767685 1077334949 /nfs/dbraw/zinc/33/49/49/1077334949.db2.gz ONWMPOGYWFTHKV-KRWDZBQOSA-N 1 2 401.511 2.788 20 0 HFADLO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000791258135 1077350408 /nfs/dbraw/zinc/35/04/08/1077350408.db2.gz ASIHPLNDAHLTAQ-KRWDZBQOSA-N 1 2 413.499 2.899 20 0 HFADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000791305067 1077365459 /nfs/dbraw/zinc/36/54/59/1077365459.db2.gz IKBBHQAQJYEDPU-HXUWFJFHSA-N 1 2 415.440 2.606 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000789051011 1077401751 /nfs/dbraw/zinc/40/17/51/1077401751.db2.gz AHOWMVZZSNWOQA-KBPBESRZSA-N 1 2 407.902 2.813 20 0 HFADLO Cc1cc(C(=O)NC2CC[NH+](CCS(=O)(=O)Cc3ccccc3)CC2)c(C)o1 ZINC000791454964 1077412811 /nfs/dbraw/zinc/41/28/11/1077412811.db2.gz LYJHGDJDUYFWIC-UHFFFAOYSA-N 1 2 404.532 2.706 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000791455775 1077413110 /nfs/dbraw/zinc/41/31/10/1077413110.db2.gz TVLVCQCCEULJJH-LEWJYISDSA-N 1 2 409.486 2.665 20 0 HFADLO Nc1cc(COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)cc[nH+]1 ZINC000791510461 1077450332 /nfs/dbraw/zinc/45/03/32/1077450332.db2.gz DWEBLIIKIHFSNR-UHFFFAOYSA-N 1 2 423.494 2.768 20 0 HFADLO O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)NCC(=O)c1cccs1 ZINC000789316013 1077511604 /nfs/dbraw/zinc/51/16/04/1077511604.db2.gz VKMVZZZBOBBGDT-UHFFFAOYSA-N 1 2 407.923 2.886 20 0 HFADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C(=O)Nc1ccnn1C1CCCC1)c1ccccc1 ZINC000746801046 1077516124 /nfs/dbraw/zinc/51/61/24/1077516124.db2.gz FALQCCDCIIVGSG-GOSISDBHSA-N 1 2 406.490 2.770 20 0 HFADLO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000789330339 1077523848 /nfs/dbraw/zinc/52/38/48/1077523848.db2.gz CVDXAKKOSHHYPH-SNVBAGLBSA-N 1 2 409.399 2.752 20 0 HFADLO C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000789330339 1077523850 /nfs/dbraw/zinc/52/38/50/1077523850.db2.gz CVDXAKKOSHHYPH-SNVBAGLBSA-N 1 2 409.399 2.752 20 0 HFADLO CC[C@@H](C)n1ncc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1C ZINC000791673077 1077524311 /nfs/dbraw/zinc/52/43/11/1077524311.db2.gz SYSJSTCJDAAKFS-OAHLLOKOSA-N 1 2 404.536 2.725 20 0 HFADLO CC(C)Cn1c2nc(C(C)C)cc(C(=O)OCc3cc[nH+]c(N)c3)c2c(=O)[nH]c1=O ZINC000791687534 1077528872 /nfs/dbraw/zinc/52/88/72/1077528872.db2.gz RQANDYFJVFUVHX-UHFFFAOYSA-N 1 2 411.462 2.611 20 0 HFADLO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001170103071 1077530510 /nfs/dbraw/zinc/53/05/10/1077530510.db2.gz ZUFUYUBUTKZBMJ-MRXNPFEDSA-N 1 2 407.312 2.757 20 0 HFADLO COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)OCc3cc[nH+]c(N)c3)c(O)c2)c1 ZINC000791701473 1077532759 /nfs/dbraw/zinc/53/27/59/1077532759.db2.gz GGVWLRSDXVSCPC-UHFFFAOYSA-N 1 2 423.425 2.996 20 0 HFADLO Cc1c[nH+]c(NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc12 ZINC001170104468 1077537340 /nfs/dbraw/zinc/53/73/40/1077537340.db2.gz GOARWGBDIQZEQO-UHFFFAOYSA-N 1 2 410.543 2.962 20 0 HFADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000789364401 1077539839 /nfs/dbraw/zinc/53/98/39/1077539839.db2.gz JCUJJSKAKSXHOO-CQSZACIVSA-N 1 2 401.488 2.697 20 0 HFADLO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000789364401 1077539843 /nfs/dbraw/zinc/53/98/43/1077539843.db2.gz JCUJJSKAKSXHOO-CQSZACIVSA-N 1 2 401.488 2.697 20 0 HFADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789373943 1077544150 /nfs/dbraw/zinc/54/41/50/1077544150.db2.gz IHPZACGTLYAAIE-QGZVFWFLSA-N 1 2 408.955 2.834 20 0 HFADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789373943 1077544156 /nfs/dbraw/zinc/54/41/56/1077544156.db2.gz IHPZACGTLYAAIE-QGZVFWFLSA-N 1 2 408.955 2.834 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1=O ZINC000789425893 1077555437 /nfs/dbraw/zinc/55/54/37/1077555437.db2.gz RIZJIPGOVWHVOX-GAJHUEQPSA-N 1 2 420.598 2.955 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1=O ZINC000789425893 1077555440 /nfs/dbraw/zinc/55/54/40/1077555440.db2.gz RIZJIPGOVWHVOX-GAJHUEQPSA-N 1 2 420.598 2.955 20 0 HFADLO C[N@H+](CC(=O)NCc1ccco1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000789476710 1077569542 /nfs/dbraw/zinc/56/95/42/1077569542.db2.gz DRXFTXJYQYKZPL-UHFFFAOYSA-N 1 2 422.323 2.627 20 0 HFADLO C[N@@H+](CC(=O)NCc1ccco1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000789476710 1077569546 /nfs/dbraw/zinc/56/95/46/1077569546.db2.gz DRXFTXJYQYKZPL-UHFFFAOYSA-N 1 2 422.323 2.627 20 0 HFADLO C[C@H](CC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1)c1ccc(F)c(Br)c1 ZINC001170111880 1077679379 /nfs/dbraw/zinc/67/93/79/1077679379.db2.gz ISIVUIBHYLMSKF-PXAZEXFGSA-N 1 2 409.303 2.988 20 0 HFADLO C[C@H](CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1)c1ccc(F)c(Br)c1 ZINC001170111883 1077679891 /nfs/dbraw/zinc/67/98/91/1077679891.db2.gz ISIVUIBHYLMSKF-SJKOYZFVSA-N 1 2 409.303 2.988 20 0 HFADLO Cn1cc([C@H]2CN(C(=O)c3cc(Br)cc(N4CCCC4)c3)CC[NH2+]2)cn1 ZINC001170112998 1077687112 /nfs/dbraw/zinc/68/71/12/1077687112.db2.gz UKOOIZPRNFOYSW-GOSISDBHSA-N 1 2 418.339 2.570 20 0 HFADLO CC(C)(C)OC(=O)NC[C@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC000792118068 1077704212 /nfs/dbraw/zinc/70/42/12/1077704212.db2.gz UVAMNYXSISVDQC-SFHVURJKSA-N 1 2 423.529 2.661 20 0 HFADLO CC(C)(C)OC(=O)NC[C@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC000792118068 1077704219 /nfs/dbraw/zinc/70/42/19/1077704219.db2.gz UVAMNYXSISVDQC-SFHVURJKSA-N 1 2 423.529 2.661 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)[nH+]1 ZINC000789600915 1077704261 /nfs/dbraw/zinc/70/42/61/1077704261.db2.gz HYZAFCKUCOKNSB-UHFFFAOYSA-N 1 2 410.048 2.953 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)[nH+]1 ZINC000789601463 1077704949 /nfs/dbraw/zinc/70/49/49/1077704949.db2.gz PMVVUIOJTNQUEM-UHFFFAOYSA-N 1 2 409.155 2.665 20 0 HFADLO COc1cccc(-c2nc(C(=O)OCCC[NH+]3CCN(C(C)C)CC3)c(C)[nH]2)c1 ZINC000792089870 1077711197 /nfs/dbraw/zinc/71/11/97/1077711197.db2.gz INONVIKTDXBSBT-UHFFFAOYSA-N 1 2 400.523 2.967 20 0 HFADLO CC(C)(C)OC(=O)N[C@]1(C(=O)OCc2cc[nH+]c(N)c2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000792161466 1077727250 /nfs/dbraw/zinc/72/72/50/1077727250.db2.gz UFCQWMCTLXDXSS-ZJTDPSCFSA-N 1 2 405.495 2.806 20 0 HFADLO COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1cccc2[nH+]ccn21 ZINC000789693335 1077730766 /nfs/dbraw/zinc/73/07/66/1077730766.db2.gz AKXPUEYKCOYFIN-UHFFFAOYSA-N 1 2 402.248 2.912 20 0 HFADLO O=C1O[C@@H](C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC12CCC2 ZINC000792215647 1077768868 /nfs/dbraw/zinc/76/88/68/1077768868.db2.gz RFECEJLXTAZSHW-CYBMUJFWSA-N 1 2 418.968 2.584 20 0 HFADLO O=C1O[C@@H](C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC12CCC2 ZINC000792215647 1077768875 /nfs/dbraw/zinc/76/88/75/1077768875.db2.gz RFECEJLXTAZSHW-CYBMUJFWSA-N 1 2 418.968 2.584 20 0 HFADLO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789768629 1077770593 /nfs/dbraw/zinc/77/05/93/1077770593.db2.gz KZDRGWZYDSXIQZ-IBGZPJMESA-N 1 2 422.316 2.721 20 0 HFADLO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789768629 1077770599 /nfs/dbraw/zinc/77/05/99/1077770599.db2.gz KZDRGWZYDSXIQZ-IBGZPJMESA-N 1 2 422.316 2.721 20 0 HFADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000792250654 1077772168 /nfs/dbraw/zinc/77/21/68/1077772168.db2.gz KWEWMSGTTWKWAP-KRWDZBQOSA-N 1 2 420.554 2.744 20 0 HFADLO CC(=O)Nc1ccc(F)c(C(=O)OCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000789791540 1077797421 /nfs/dbraw/zinc/79/74/21/1077797421.db2.gz DRHJRVWTPWNLIZ-UHFFFAOYSA-N 1 2 423.485 2.884 20 0 HFADLO CC(=O)Nc1ccc(F)c(C(=O)OCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000789791540 1077797429 /nfs/dbraw/zinc/79/74/29/1077797429.db2.gz DRHJRVWTPWNLIZ-UHFFFAOYSA-N 1 2 423.485 2.884 20 0 HFADLO CSc1nc2ccc(NC(=O)C(=O)N(C)CC[N@@H+]3CCOC(C)(C)C3)cc2s1 ZINC000789795550 1077801095 /nfs/dbraw/zinc/80/10/95/1077801095.db2.gz BXMDKSCEABYZQW-UHFFFAOYSA-N 1 2 422.576 2.526 20 0 HFADLO CSc1nc2ccc(NC(=O)C(=O)N(C)CC[N@H+]3CCOC(C)(C)C3)cc2s1 ZINC000789795550 1077801105 /nfs/dbraw/zinc/80/11/05/1077801105.db2.gz BXMDKSCEABYZQW-UHFFFAOYSA-N 1 2 422.576 2.526 20 0 HFADLO CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000792336597 1077825246 /nfs/dbraw/zinc/82/52/46/1077825246.db2.gz DQXYZGUATITCEG-IAGOWNOFSA-N 1 2 402.470 2.762 20 0 HFADLO CCOC(=O)CN(C(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1)c1ccccc1 ZINC000792387195 1077830677 /nfs/dbraw/zinc/83/06/77/1077830677.db2.gz AGMJBBYNBFVNNY-UHFFFAOYSA-N 1 2 415.465 2.660 20 0 HFADLO CCOC(=O)N1CCC(NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000789903381 1077856318 /nfs/dbraw/zinc/85/63/18/1077856318.db2.gz UBIROMFOFLCWDX-TWGQIWQCSA-N 1 2 400.523 2.648 20 0 HFADLO CC(C)(C)C[C@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000747076059 1077869210 /nfs/dbraw/zinc/86/92/10/1077869210.db2.gz JXSQZEBOXSZLNP-IIBYNOLFSA-N 1 2 421.563 2.715 20 0 HFADLO CC(C)(C)C[C@H]1CCC[N@H+]1CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000747076059 1077869215 /nfs/dbraw/zinc/86/92/15/1077869215.db2.gz JXSQZEBOXSZLNP-IIBYNOLFSA-N 1 2 421.563 2.715 20 0 HFADLO CN(C[C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1)C(=O)OC(C)(C)C ZINC000789963635 1077872317 /nfs/dbraw/zinc/87/23/17/1077872317.db2.gz NNIRRDKHAJVTDZ-MJGOQNOKSA-N 1 2 409.571 2.735 20 0 HFADLO CN(C[C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1)C(=O)OC(C)(C)C ZINC000789963635 1077872323 /nfs/dbraw/zinc/87/23/23/1077872323.db2.gz NNIRRDKHAJVTDZ-MJGOQNOKSA-N 1 2 409.571 2.735 20 0 HFADLO C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000790032165 1077904266 /nfs/dbraw/zinc/90/42/66/1077904266.db2.gz JYEVYXGLLHHWDS-SIKLNZKXSA-N 1 2 423.561 2.642 20 0 HFADLO COC(=O)c1[nH+]ccc(NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)c1C ZINC001170209149 1077907640 /nfs/dbraw/zinc/90/76/40/1077907640.db2.gz DSFWNRVLXRKNMU-CABCVRRESA-N 1 2 408.495 2.652 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)c3ccc(N(C)C)cc3)CC2)cc1 ZINC000790025780 1077917808 /nfs/dbraw/zinc/91/78/08/1077917808.db2.gz CAXBSPGMAWGGMB-UHFFFAOYSA-N 1 2 402.564 2.766 20 0 HFADLO COc1cc(/C=C\C(=O)N2CCc3cc[nH+]c(N)c3C2)cc(Br)c1O ZINC001170259845 1077920568 /nfs/dbraw/zinc/92/05/68/1077920568.db2.gz XRFTZBCBPZXIEJ-IHWYPQMZSA-N 1 2 404.264 2.739 20 0 HFADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 ZINC000790054529 1077933188 /nfs/dbraw/zinc/93/31/88/1077933188.db2.gz STYPCSDLWRWJSH-HSZRJFAPSA-N 1 2 420.557 2.639 20 0 HFADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C1 ZINC000790054529 1077933190 /nfs/dbraw/zinc/93/31/90/1077933190.db2.gz STYPCSDLWRWJSH-HSZRJFAPSA-N 1 2 420.557 2.639 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cnn(-c2ccccc2)c1Br ZINC000790129576 1077951410 /nfs/dbraw/zinc/95/14/10/1077951410.db2.gz XGGXSDLSMHPKME-UHFFFAOYSA-N 1 2 421.339 2.818 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cnn(-c2ccccc2)c1Br ZINC000790129576 1077951411 /nfs/dbraw/zinc/95/14/11/1077951411.db2.gz XGGXSDLSMHPKME-UHFFFAOYSA-N 1 2 421.339 2.818 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000790131823 1077952484 /nfs/dbraw/zinc/95/24/84/1077952484.db2.gz LTMSFAUIRLKHMX-MRXNPFEDSA-N 1 2 403.523 2.730 20 0 HFADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC(Cc3nccs3)CC1)CC2 ZINC001170391949 1077958369 /nfs/dbraw/zinc/95/83/69/1077958369.db2.gz AXFHFIIWSCBISF-UHFFFAOYSA-N 1 2 415.559 3.000 20 0 HFADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC(Cc3nccs3)CC1)CC2 ZINC001170391949 1077958373 /nfs/dbraw/zinc/95/83/73/1077958373.db2.gz AXFHFIIWSCBISF-UHFFFAOYSA-N 1 2 415.559 3.000 20 0 HFADLO CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000790152611 1077965707 /nfs/dbraw/zinc/96/57/07/1077965707.db2.gz COLJTQGUYUMKAX-JOCHJYFZSA-N 1 2 418.538 2.552 20 0 HFADLO CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000790152611 1077965709 /nfs/dbraw/zinc/96/57/09/1077965709.db2.gz COLJTQGUYUMKAX-JOCHJYFZSA-N 1 2 418.538 2.552 20 0 HFADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000792771531 1077997618 /nfs/dbraw/zinc/99/76/18/1077997618.db2.gz ZMGHGULSCLWVAA-DOPJRALCSA-N 1 2 404.935 2.960 20 0 HFADLO CC[N@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000792771531 1077997626 /nfs/dbraw/zinc/99/76/26/1077997626.db2.gz ZMGHGULSCLWVAA-DOPJRALCSA-N 1 2 404.935 2.960 20 0 HFADLO CC(C)(C)OC(=O)NCC1CC[NH+](CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000790310536 1078000090 /nfs/dbraw/zinc/00/00/90/1078000090.db2.gz FTCMNGWXAYXSEN-UHFFFAOYSA-N 1 2 400.516 2.836 20 0 HFADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000772754191 1078001218 /nfs/dbraw/zinc/00/12/18/1078001218.db2.gz AFEFVIDVTCDPFC-UHFFFAOYSA-N 1 2 407.865 2.527 20 0 HFADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000792884480 1078016797 /nfs/dbraw/zinc/01/67/97/1078016797.db2.gz PBUQPWDTAZTHMQ-LBPRGKRZSA-N 1 2 408.474 2.665 20 0 HFADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000792884480 1078016800 /nfs/dbraw/zinc/01/68/00/1078016800.db2.gz PBUQPWDTAZTHMQ-LBPRGKRZSA-N 1 2 408.474 2.665 20 0 HFADLO O=S(=O)(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccc(-n2cnnn2)c1 ZINC000790421666 1078022635 /nfs/dbraw/zinc/02/26/35/1078022635.db2.gz GWAHNOQWOCQKLA-UHFFFAOYSA-N 1 2 422.470 2.630 20 0 HFADLO Cc1c(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)nnn1Cc1ccc(F)cc1F ZINC000790489275 1078042675 /nfs/dbraw/zinc/04/26/75/1078042675.db2.gz QZOHDYISOLLARF-KRWDZBQOSA-N 1 2 402.449 2.954 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000806246158 1079520927 /nfs/dbraw/zinc/52/09/27/1079520927.db2.gz SEDBUZPXBZPLKQ-LXGFNABISA-N 1 2 402.539 2.627 20 0 HFADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(C(N)=O)c(Cl)n3)CC2)cc1 ZINC000806309181 1079560137 /nfs/dbraw/zinc/56/01/37/1079560137.db2.gz APSVINQDRWCWKS-UHFFFAOYSA-N 1 2 400.910 2.915 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCCc3ccccc3F)CC2)C1 ZINC000806314213 1079567044 /nfs/dbraw/zinc/56/70/44/1079567044.db2.gz PTXQLZXMJVWKIX-SFHVURJKSA-N 1 2 420.529 2.705 20 0 HFADLO CSc1cc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)ccn1 ZINC000806380878 1079630051 /nfs/dbraw/zinc/63/00/51/1079630051.db2.gz JEFWTGOVHUHKDX-MRXNPFEDSA-N 1 2 421.567 2.962 20 0 HFADLO CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000806427985 1079673176 /nfs/dbraw/zinc/67/31/76/1079673176.db2.gz POOIRUFGXFSPIF-GOSISDBHSA-N 1 2 403.527 2.749 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000806427506 1079673996 /nfs/dbraw/zinc/67/39/96/1079673996.db2.gz JKPJOQOYQWYPSV-SFHVURJKSA-N 1 2 403.527 2.751 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC[C@H]3Cc4ccccc43)C2)CC1 ZINC000806507716 1079758822 /nfs/dbraw/zinc/75/88/22/1079758822.db2.gz SWPASSOJGIQYTO-MOPGFXCFSA-N 1 2 414.550 2.663 20 0 HFADLO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000806486540 1079773036 /nfs/dbraw/zinc/77/30/36/1079773036.db2.gz XGGBRHCBFOQSEM-RTBURBONSA-N 1 2 418.925 2.555 20 0 HFADLO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000806486540 1079773043 /nfs/dbraw/zinc/77/30/43/1079773043.db2.gz XGGBRHCBFOQSEM-RTBURBONSA-N 1 2 418.925 2.555 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3ccc(F)c(F)c3)C2)CC1 ZINC000806539104 1079776874 /nfs/dbraw/zinc/77/68/74/1079776874.db2.gz GPTYBRWBNJIUPW-INIZCTEOSA-N 1 2 424.492 2.801 20 0 HFADLO COc1ccc2cc(CNC(=O)C(=O)NCCc3cn4cccc(C)c4[nH+]3)ccc2c1 ZINC000806538313 1079809816 /nfs/dbraw/zinc/80/98/16/1079809816.db2.gz CRDCIXYDRBRASS-UHFFFAOYSA-N 1 2 416.481 2.780 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=S)NCCc3cccs3)CC2)C1 ZINC000806609293 1079852250 /nfs/dbraw/zinc/85/22/50/1079852250.db2.gz PNORZIONMDCYHW-INIZCTEOSA-N 1 2 424.636 2.792 20 0 HFADLO COc1ccc2cc(NC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)ccc2c1 ZINC000806618097 1079858110 /nfs/dbraw/zinc/85/81/10/1079858110.db2.gz FHLLHJBDQHLEMP-UHFFFAOYSA-N 1 2 417.473 2.879 20 0 HFADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000806753663 1079968836 /nfs/dbraw/zinc/96/88/36/1079968836.db2.gz XHNLFPSNUVFETG-NZQKXSOJSA-N 1 2 410.562 2.568 20 0 HFADLO C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000806778153 1079995470 /nfs/dbraw/zinc/99/54/70/1079995470.db2.gz ZHUGRRZVSADMTN-XLIONFOSSA-N 1 2 407.580 2.678 20 0 HFADLO CC[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1nccs1 ZINC000806839469 1080051938 /nfs/dbraw/zinc/05/19/38/1080051938.db2.gz DRWAOQQDRFJCTA-HZPDHXFCSA-N 1 2 423.583 2.931 20 0 HFADLO CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 ZINC000806854411 1080059241 /nfs/dbraw/zinc/05/92/41/1080059241.db2.gz DXEKEBKUGODOOP-OALUTQOASA-N 1 2 417.554 2.869 20 0 HFADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807045940 1080202678 /nfs/dbraw/zinc/20/26/78/1080202678.db2.gz KJBVINVADHSDPQ-SNRMKQJTSA-N 1 2 424.492 2.972 20 0 HFADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807045940 1080202687 /nfs/dbraw/zinc/20/26/87/1080202687.db2.gz KJBVINVADHSDPQ-SNRMKQJTSA-N 1 2 424.492 2.972 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2cc(Cl)ccc2C(F)(F)F)[nH+]1 ZINC000807032930 1080225271 /nfs/dbraw/zinc/22/52/71/1080225271.db2.gz VWOBIFDWKUHEPU-UHFFFAOYSA-N 1 2 409.155 2.665 20 0 HFADLO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC001130832658 1080252825 /nfs/dbraw/zinc/25/28/25/1080252825.db2.gz JXDGFLGJURIPDP-VQIMIIECSA-N 1 2 403.523 2.819 20 0 HFADLO COc1cccc(OCC[NH+]2CCN(C(=O)Cc3ccc(C)nc3Cl)CC2)c1 ZINC000807087473 1080265306 /nfs/dbraw/zinc/26/53/06/1080265306.db2.gz JMJWWUAVLCSULK-UHFFFAOYSA-N 1 2 403.910 2.818 20 0 HFADLO O=c1cc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c2ccc(O)cc2o1 ZINC000807218293 1080382220 /nfs/dbraw/zinc/38/22/20/1080382220.db2.gz MPFHOTQNLSUFQT-UHFFFAOYSA-N 1 2 420.512 2.503 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000807281734 1080440871 /nfs/dbraw/zinc/44/08/71/1080440871.db2.gz ZRTOVCKUVILSIT-MRXNPFEDSA-N 1 2 400.822 2.695 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000807282021 1080440898 /nfs/dbraw/zinc/44/08/98/1080440898.db2.gz BNSMYTMDCPPRHV-INIZCTEOSA-N 1 2 422.272 2.656 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000807284111 1080443043 /nfs/dbraw/zinc/44/30/43/1080443043.db2.gz NDPXEOADUFSCGW-HXUWFJFHSA-N 1 2 415.453 2.707 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1C ZINC000807284338 1080445577 /nfs/dbraw/zinc/44/55/77/1080445577.db2.gz LBQJYTZVWGQGDG-MRXNPFEDSA-N 1 2 402.451 2.510 20 0 HFADLO CCN(Cc1ccccc1)c1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)OC)cc1 ZINC000807285308 1080448233 /nfs/dbraw/zinc/44/82/33/1080448233.db2.gz YXFLUOCSIQBBGN-NRFANRHFSA-N 1 2 406.486 2.881 20 0 HFADLO CCOC(=O)C1=C(Nc2cnc(OCCOC)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522722 1080585484 /nfs/dbraw/zinc/58/54/84/1080585484.db2.gz SCHMDOZJKASOJP-UHFFFAOYSA-N 1 2 412.490 2.637 20 0 HFADLO CCOC(=O)C1=C(Nc2cnc(OCCOC)cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522722 1080585489 /nfs/dbraw/zinc/58/54/89/1080585489.db2.gz SCHMDOZJKASOJP-UHFFFAOYSA-N 1 2 412.490 2.637 20 0 HFADLO CC[N@H+](CC(=O)NCc1cnc(N2CCOCC2)s1)Cc1ccccc1Cl ZINC000807431989 1080590426 /nfs/dbraw/zinc/59/04/26/1080590426.db2.gz IWLCTYBLYBKBKC-UHFFFAOYSA-N 1 2 408.955 2.771 20 0 HFADLO CC[N@@H+](CC(=O)NCc1cnc(N2CCOCC2)s1)Cc1ccccc1Cl ZINC000807431989 1080590436 /nfs/dbraw/zinc/59/04/36/1080590436.db2.gz IWLCTYBLYBKBKC-UHFFFAOYSA-N 1 2 408.955 2.771 20 0 HFADLO C[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1)Cn1cc[nH+]c1 ZINC000747400109 1080635467 /nfs/dbraw/zinc/63/54/67/1080635467.db2.gz GBXRTTRMZXETSV-LPHOPBHVSA-N 1 2 411.506 2.612 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000807517819 1080771398 /nfs/dbraw/zinc/77/13/98/1080771398.db2.gz XVLXJEIMFBRGAS-UHFFFAOYSA-N 1 2 412.509 2.602 20 0 HFADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NCc3c(C)cccc3F)CC2)c1 ZINC000807519155 1080772221 /nfs/dbraw/zinc/77/22/21/1080772221.db2.gz YBVSMLVJHCLPIU-QGZVFWFLSA-N 1 2 413.493 2.664 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000807521942 1080774630 /nfs/dbraw/zinc/77/46/30/1080774630.db2.gz QCDOYOYVIUSQHS-OALUTQOASA-N 1 2 403.885 2.965 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000807521942 1080774639 /nfs/dbraw/zinc/77/46/39/1080774639.db2.gz QCDOYOYVIUSQHS-OALUTQOASA-N 1 2 403.885 2.965 20 0 HFADLO COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000747401163 1080776890 /nfs/dbraw/zinc/77/68/90/1080776890.db2.gz SBMHXFJVWNOVBF-CRAIPNDOSA-N 1 2 402.495 2.910 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000807558771 1080813053 /nfs/dbraw/zinc/81/30/53/1080813053.db2.gz GXEUYIMNEOYZAR-OAHLLOKOSA-N 1 2 415.925 2.599 20 0 HFADLO CCc1ccc(NC(=O)c2nnc(C[NH2+]C3(CO)Cc4ccccc4C3)s2)cc1 ZINC000512328875 1126095493 /nfs/dbraw/zinc/09/54/93/1126095493.db2.gz MYDAFNFQBAPGNQ-UHFFFAOYSA-N 1 2 408.527 2.972 20 0 HFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(N)=O)CC2 ZINC001164663464 719345383 /nfs/dbraw/zinc/34/53/83/719345383.db2.gz HMLMAZPFFSIWKP-UHFFFAOYSA-N 1 2 416.529 2.875 20 0 HFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(N)=O)CC2 ZINC001164663464 719345385 /nfs/dbraw/zinc/34/53/85/719345385.db2.gz HMLMAZPFFSIWKP-UHFFFAOYSA-N 1 2 416.529 2.875 20 0 HFADLO CCn1cnc2c1ncnc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671757 719523367 /nfs/dbraw/zinc/52/33/67/719523367.db2.gz JNLVWMKMOIBEAI-UHFFFAOYSA-N 1 2 410.497 2.857 20 0 HFADLO CCn1cnc2c1ncnc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671757 719523374 /nfs/dbraw/zinc/52/33/74/719523374.db2.gz JNLVWMKMOIBEAI-UHFFFAOYSA-N 1 2 410.497 2.857 20 0 HFADLO COC(=O)c1ccc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1Cl ZINC001164678238 719562484 /nfs/dbraw/zinc/56/24/84/719562484.db2.gz WFEHKYIVMBOWGH-UHFFFAOYSA-N 1 2 423.807 2.862 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CCCCC2 ZINC001164704631 719852182 /nfs/dbraw/zinc/85/21/82/719852182.db2.gz SCIAUPFUNUSQRG-BTYIYWSLSA-N 1 2 422.957 2.632 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(C)c(Cl)cnc1Cl ZINC001164701186 719865122 /nfs/dbraw/zinc/86/51/22/719865122.db2.gz FRZOIWDFCJUPLJ-UGSOOPFHSA-N 1 2 402.322 2.930 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2nc(Cl)cnc2cc1F ZINC001164707624 719871838 /nfs/dbraw/zinc/87/18/38/719871838.db2.gz UQEUEZVZPIVZGC-RNODOKPDSA-N 1 2 422.888 2.655 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc5ccccc5n4)CC3)C2=O)cs1 ZINC001164826483 720359534 /nfs/dbraw/zinc/35/95/34/720359534.db2.gz VTZWRASYBKLUHM-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc5ccccc5n4)CC3)C2=O)cs1 ZINC001164826483 720359541 /nfs/dbraw/zinc/35/95/41/720359541.db2.gz VTZWRASYBKLUHM-UHFFFAOYSA-N 1 2 422.558 2.708 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C(C)C)ncn4)CC3)C2=O)cs1 ZINC001164825733 720365904 /nfs/dbraw/zinc/36/59/04/720365904.db2.gz UKGZCSTXNUSOCI-UHFFFAOYSA-N 1 2 414.579 2.678 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C(C)C)ncn4)CC3)C2=O)cs1 ZINC001164825733 720365912 /nfs/dbraw/zinc/36/59/12/720365912.db2.gz UKGZCSTXNUSOCI-UHFFFAOYSA-N 1 2 414.579 2.678 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(F)cc4Cl)CC3)C2=O)cs1 ZINC001164825534 720366174 /nfs/dbraw/zinc/36/61/74/720366174.db2.gz QHUPHVKILVZLNI-UHFFFAOYSA-N 1 2 423.945 2.952 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(F)cc4Cl)CC3)C2=O)cs1 ZINC001164825534 720366182 /nfs/dbraw/zinc/36/61/82/720366182.db2.gz QHUPHVKILVZLNI-UHFFFAOYSA-N 1 2 423.945 2.952 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5occc5n4)CC3)C2=O)cs1 ZINC001164820712 720373573 /nfs/dbraw/zinc/37/35/73/720373573.db2.gz QVNWLIMTTHIXIW-UHFFFAOYSA-N 1 2 411.531 2.906 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5occc5n4)CC3)C2=O)cs1 ZINC001164820712 720373578 /nfs/dbraw/zinc/37/35/78/720373578.db2.gz QVNWLIMTTHIXIW-UHFFFAOYSA-N 1 2 411.531 2.906 20 0 HFADLO CSc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164821181 720379621 /nfs/dbraw/zinc/37/96/21/720379621.db2.gz ZSDVFTJMFDMDGY-UHFFFAOYSA-N 1 2 417.604 2.882 20 0 HFADLO CSc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164821181 720379628 /nfs/dbraw/zinc/37/96/28/720379628.db2.gz ZSDVFTJMFDMDGY-UHFFFAOYSA-N 1 2 417.604 2.882 20 0 HFADLO FC(F)(c1cc(Cl)nc(Cl)n1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164831000 720396915 /nfs/dbraw/zinc/39/69/15/720396915.db2.gz SXLMXWXYLJMBAH-UHFFFAOYSA-N 1 2 415.235 2.575 20 0 HFADLO Cc1cccc2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc12 ZINC001164828602 720428841 /nfs/dbraw/zinc/42/88/41/720428841.db2.gz YDYBTMCLASIZDW-HXUWFJFHSA-N 1 2 421.545 2.729 20 0 HFADLO COc1nc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164756206 720978843 /nfs/dbraw/zinc/97/88/43/720978843.db2.gz GJAGHQCZDOJMOO-ZDUSSCGKSA-N 1 2 413.856 2.943 20 0 HFADLO FC(F)(c1nccc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164764485 721271916 /nfs/dbraw/zinc/27/19/16/721271916.db2.gz GWVRNELLJXUHRT-CYBMUJFWSA-N 1 2 406.824 2.982 20 0 HFADLO COC(=O)c1ccc2ccnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165011432 721701492 /nfs/dbraw/zinc/70/14/92/721701492.db2.gz SLXYWGPMFQSFIK-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO COC(=O)c1ccc2ccnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165011432 721701493 /nfs/dbraw/zinc/70/14/93/721701493.db2.gz SLXYWGPMFQSFIK-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO Cc1nc(-c2ccccn2)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1C ZINC001165010590 721717275 /nfs/dbraw/zinc/71/72/75/721717275.db2.gz JVHUIJNUAGBBPI-UHFFFAOYSA-N 1 2 406.538 2.997 20 0 HFADLO Cc1nc(-c2ccccn2)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1C ZINC001165010590 721717279 /nfs/dbraw/zinc/71/72/79/721717279.db2.gz JVHUIJNUAGBBPI-UHFFFAOYSA-N 1 2 406.538 2.997 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccncc3)nc3c1CCC3)C2 ZINC001165011990 721718185 /nfs/dbraw/zinc/71/81/85/721718185.db2.gz XPALKBBXUACEJA-UHFFFAOYSA-N 1 2 418.549 2.869 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccncc3)nc3c1CCC3)C2 ZINC001165011990 721718186 /nfs/dbraw/zinc/71/81/86/721718186.db2.gz XPALKBBXUACEJA-UHFFFAOYSA-N 1 2 418.549 2.869 20 0 HFADLO Fc1ccc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164915012 721795426 /nfs/dbraw/zinc/79/54/26/721795426.db2.gz TYFQPUQQBSKZNS-HSZRJFAPSA-N 1 2 408.477 2.877 20 0 HFADLO Fc1ccc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164915012 721795428 /nfs/dbraw/zinc/79/54/28/721795428.db2.gz TYFQPUQQBSKZNS-HSZRJFAPSA-N 1 2 408.477 2.877 20 0 HFADLO Fc1ccc2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164913184 721796349 /nfs/dbraw/zinc/79/63/49/721796349.db2.gz ANDUXOLMXVJGAX-HSZRJFAPSA-N 1 2 408.477 2.877 20 0 HFADLO Fc1ccc2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164913184 721796351 /nfs/dbraw/zinc/79/63/51/721796351.db2.gz ANDUXOLMXVJGAX-HSZRJFAPSA-N 1 2 408.477 2.877 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c2CSCC3)CC1 ZINC001164919214 721813470 /nfs/dbraw/zinc/81/34/70/721813470.db2.gz WQUQNZLTHKVRRA-UHFFFAOYSA-N 1 2 404.971 2.865 20 0 HFADLO COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918327 721817601 /nfs/dbraw/zinc/81/76/01/721817601.db2.gz NYDTWBXSXLCMAU-UHFFFAOYSA-N 1 2 405.502 2.967 20 0 HFADLO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044711 721960210 /nfs/dbraw/zinc/96/02/10/721960210.db2.gz MZUGRJDFPMSWPA-UHFFFAOYSA-N 1 2 408.840 2.704 20 0 HFADLO CCOC(=O)c1cc(C)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945071 721970639 /nfs/dbraw/zinc/97/06/39/721970639.db2.gz OGYBPNLRTLOXTB-UHFFFAOYSA-N 1 2 422.529 2.538 20 0 HFADLO CCOC(=O)c1cc(C)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945071 721970642 /nfs/dbraw/zinc/97/06/42/721970642.db2.gz OGYBPNLRTLOXTB-UHFFFAOYSA-N 1 2 422.529 2.538 20 0 HFADLO CSc1ncc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945961 721977562 /nfs/dbraw/zinc/97/75/62/721977562.db2.gz HOIUUYKOQIJEKG-UHFFFAOYSA-N 1 2 417.966 2.823 20 0 HFADLO CSc1ncc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945961 721977565 /nfs/dbraw/zinc/97/75/65/721977565.db2.gz HOIUUYKOQIJEKG-UHFFFAOYSA-N 1 2 417.966 2.823 20 0 HFADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)Nc2cccc(Cl)n2)c2ccc(Cl)cc2)C1 ZINC000793016150 1078050087 /nfs/dbraw/zinc/05/00/87/1078050087.db2.gz UKCQUQJBFMMWSZ-RHSMWYFYSA-N 1 2 423.300 2.515 20 0 HFADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)Nc2cccc(Cl)n2)c2ccc(Cl)cc2)C1 ZINC000793016150 1078050090 /nfs/dbraw/zinc/05/00/90/1078050090.db2.gz UKCQUQJBFMMWSZ-RHSMWYFYSA-N 1 2 423.300 2.515 20 0 HFADLO Clc1c(CNc2cnn(CC[NH+]3CCOCC3)c2)cnn1Cc1ccccc1 ZINC000790569167 1078057544 /nfs/dbraw/zinc/05/75/44/1078057544.db2.gz RMBMMQLXLYKJOU-UHFFFAOYSA-N 1 2 400.914 2.726 20 0 HFADLO O=C(NC[C@@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1)OCc1ccccc1 ZINC000793063054 1078060214 /nfs/dbraw/zinc/06/02/14/1078060214.db2.gz LESKJSUYLNDJDZ-RBUKOAKNSA-N 1 2 411.506 2.546 20 0 HFADLO C[N@@H+]1CCN(C(=O)NCc2ccc(C3CC3)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000790627512 1078082245 /nfs/dbraw/zinc/08/22/45/1078082245.db2.gz QLEANOVRYHDLCY-IBGZPJMESA-N 1 2 402.539 2.914 20 0 HFADLO C[N@H+]1CCN(C(=O)NCc2ccc(C3CC3)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000790627512 1078082253 /nfs/dbraw/zinc/08/22/53/1078082253.db2.gz QLEANOVRYHDLCY-IBGZPJMESA-N 1 2 402.539 2.914 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)NCC[NH+]2Cc3ccccc3C2)cs1 ZINC000793187908 1078096686 /nfs/dbraw/zinc/09/66/86/1078096686.db2.gz KJOLXLJBNMTSMW-UHFFFAOYSA-N 1 2 416.547 2.956 20 0 HFADLO C[NH+](C)[C@H]1CCN(c2ccc(NS(=O)(=O)c3cnc(Cl)c(Cl)c3)nc2)C1 ZINC000772829320 1078098955 /nfs/dbraw/zinc/09/89/55/1078098955.db2.gz ZDFGMVRJHPCBAY-LBPRGKRZSA-N 1 2 416.334 2.725 20 0 HFADLO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCCc3c[nH+]cn3C)c2)cc1 ZINC000793250755 1078110417 /nfs/dbraw/zinc/11/04/17/1078110417.db2.gz LCPTVBOWHGHGGH-UHFFFAOYSA-N 1 2 413.499 2.953 20 0 HFADLO COc1ccccc1C(=O)N1[C@H](C(=O)OCCc2c[nH+]cn2C)C[C@H]2CCCC[C@@H]21 ZINC000793249309 1078110437 /nfs/dbraw/zinc/11/04/37/1078110437.db2.gz GTKAZXITPUFHIG-UXPWSPDFSA-N 1 2 411.502 2.988 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000793250133 1078110731 /nfs/dbraw/zinc/11/07/31/1078110731.db2.gz JFRMINGBADANKV-UHFFFAOYSA-N 1 2 404.517 2.638 20 0 HFADLO C[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnnn1C1CC1 ZINC000790754067 1078111290 /nfs/dbraw/zinc/11/12/90/1078111290.db2.gz GCRQKJPSNQHTIH-HUUCEWRRSA-N 1 2 404.540 2.594 20 0 HFADLO CCOC(=O)c1oc2ccccc2c1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000793351070 1078155913 /nfs/dbraw/zinc/15/59/13/1078155913.db2.gz APGNCEDPVKTQOW-GOSISDBHSA-N 1 2 400.475 2.869 20 0 HFADLO CCOC(=O)c1oc2ccccc2c1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000793351070 1078155915 /nfs/dbraw/zinc/15/59/15/1078155915.db2.gz APGNCEDPVKTQOW-GOSISDBHSA-N 1 2 400.475 2.869 20 0 HFADLO CN(CC1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000793427134 1078178988 /nfs/dbraw/zinc/17/89/88/1078178988.db2.gz VTGAVMRZFBNEIP-LJQANCHMSA-N 1 2 409.571 2.735 20 0 HFADLO CN(CC1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000793427134 1078178989 /nfs/dbraw/zinc/17/89/89/1078178989.db2.gz VTGAVMRZFBNEIP-LJQANCHMSA-N 1 2 409.571 2.735 20 0 HFADLO O=C(/C(=C\c1cccs1)n1nnnc1-c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000793502610 1078204351 /nfs/dbraw/zinc/20/43/51/1078204351.db2.gz CVOBQTXJFSIHFQ-WOJGMQOQSA-N 1 2 403.471 2.639 20 0 HFADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cnn(Cc2ccccc2)c1Cl ZINC000793584162 1078214725 /nfs/dbraw/zinc/21/47/25/1078214725.db2.gz MTCMTTCHQNOAFU-SFHVURJKSA-N 1 2 410.971 2.879 20 0 HFADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cnn(Cc2ccccc2)c1Cl ZINC000793584162 1078214728 /nfs/dbraw/zinc/21/47/28/1078214728.db2.gz MTCMTTCHQNOAFU-SFHVURJKSA-N 1 2 410.971 2.879 20 0 HFADLO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000793597421 1078219866 /nfs/dbraw/zinc/21/98/66/1078219866.db2.gz KUTVIPFIHGLKPL-QFIPXVFZSA-N 1 2 423.542 2.826 20 0 HFADLO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000793597421 1078219869 /nfs/dbraw/zinc/21/98/69/1078219869.db2.gz KUTVIPFIHGLKPL-QFIPXVFZSA-N 1 2 423.542 2.826 20 0 HFADLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000793602487 1078221487 /nfs/dbraw/zinc/22/14/87/1078221487.db2.gz VKWLWJBOUFVALI-AOMKIAJQSA-N 1 2 419.541 2.607 20 0 HFADLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000793602487 1078221491 /nfs/dbraw/zinc/22/14/91/1078221491.db2.gz VKWLWJBOUFVALI-AOMKIAJQSA-N 1 2 419.541 2.607 20 0 HFADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)NCc2ccc([C@H](C)O)cc2)c(C)c1 ZINC000793650563 1078242040 /nfs/dbraw/zinc/24/20/40/1078242040.db2.gz LESLUEZAYNNPFJ-AVRDEDQJSA-N 1 2 420.513 2.727 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000793664087 1078244579 /nfs/dbraw/zinc/24/45/79/1078244579.db2.gz OKSMDMFGEIPUFT-IIBYNOLFSA-N 1 2 415.440 2.974 20 0 HFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N[C@H](C)COc1ccccc1 ZINC000793677555 1078251347 /nfs/dbraw/zinc/25/13/47/1078251347.db2.gz BXODETPWSQPTFF-LJQANCHMSA-N 1 2 424.545 2.730 20 0 HFADLO CC(C)[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793721968 1078265795 /nfs/dbraw/zinc/26/57/95/1078265795.db2.gz NTGYOXMGSFUGHT-ZDPZECHZSA-N 1 2 420.554 2.632 20 0 HFADLO CC(C)[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793721968 1078265797 /nfs/dbraw/zinc/26/57/97/1078265797.db2.gz NTGYOXMGSFUGHT-ZDPZECHZSA-N 1 2 420.554 2.632 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NCC2([C@H](O)c3ccccc3)CC2)[C@@H]1c1c[nH+]cn1C ZINC000793722402 1078265813 /nfs/dbraw/zinc/26/58/13/1078265813.db2.gz LKLIIXYWROJULR-STZQEDGTSA-N 1 2 424.545 2.740 20 0 HFADLO C[C@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793721951 1078265874 /nfs/dbraw/zinc/26/58/74/1078265874.db2.gz OFIAVJJSDYRQSK-XXBNENTESA-N 1 2 408.502 2.825 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N[C@H](C)C[C@@H](O)c2cccs2)[C@@H]1c1c[nH+]cn1C ZINC000793723860 1078266810 /nfs/dbraw/zinc/26/68/10/1078266810.db2.gz PETFQUUYIKJNLU-MXHNKVEKSA-N 1 2 418.563 2.800 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CN3C(=O)NC4(CCCCCC4)C3=O)CC[C@@H]21 ZINC000793725534 1078267322 /nfs/dbraw/zinc/26/73/22/1078267322.db2.gz WNPLZAKCOMPYHS-IRXDYDNUSA-N 1 2 420.554 2.920 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CN3C(=O)NC4(CCCCCC4)C3=O)CC[C@@H]21 ZINC000793725534 1078267324 /nfs/dbraw/zinc/26/73/24/1078267324.db2.gz WNPLZAKCOMPYHS-IRXDYDNUSA-N 1 2 420.554 2.920 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c1C ZINC000793753405 1078291902 /nfs/dbraw/zinc/29/19/02/1078291902.db2.gz XVOCYGPTDUXJGS-NQIIRXRSSA-N 1 2 411.502 2.607 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@H]21 ZINC000793811254 1078314541 /nfs/dbraw/zinc/31/45/41/1078314541.db2.gz GRAMAXARVTUXBU-VBSBHUPXSA-N 1 2 421.582 2.782 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@H]21 ZINC000793811254 1078314544 /nfs/dbraw/zinc/31/45/44/1078314544.db2.gz GRAMAXARVTUXBU-VBSBHUPXSA-N 1 2 421.582 2.782 20 0 HFADLO Cn1c[nH+]cc1CCC(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000793812254 1078314845 /nfs/dbraw/zinc/31/48/45/1078314845.db2.gz ATJPIFNDGSHEIK-UHFFFAOYSA-N 1 2 402.499 2.760 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000793913712 1078336849 /nfs/dbraw/zinc/33/68/49/1078336849.db2.gz INLJWNWJJUIPFM-QGZVFWFLSA-N 1 2 412.852 2.565 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2nc3cc(Cl)ccc3s2)c1C ZINC000793953910 1078346818 /nfs/dbraw/zinc/34/68/18/1078346818.db2.gz HASPORGAVAMMGI-UHFFFAOYSA-N 1 2 418.906 2.903 20 0 HFADLO C[C@H](SCc1cc(Br)no1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000793965817 1078348908 /nfs/dbraw/zinc/34/89/08/1078348908.db2.gz UBGNFYXYMIRTNK-LBPRGKRZSA-N 1 2 411.325 2.803 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000793946596 1078354594 /nfs/dbraw/zinc/35/45/94/1078354594.db2.gz BNJXIFNGUSFLKU-IBGZPJMESA-N 1 2 412.440 2.882 20 0 HFADLO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000793984808 1078356722 /nfs/dbraw/zinc/35/67/22/1078356722.db2.gz YIOSBDSIOJNTBO-LJQANCHMSA-N 1 2 407.942 2.996 20 0 HFADLO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000793984808 1078356726 /nfs/dbraw/zinc/35/67/26/1078356726.db2.gz YIOSBDSIOJNTBO-LJQANCHMSA-N 1 2 407.942 2.996 20 0 HFADLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCCC[C@H]3C3OCCO3)n2)CC1 ZINC000794356276 1078424052 /nfs/dbraw/zinc/42/40/52/1078424052.db2.gz YLJPGUFMNTTWNM-KRWDZBQOSA-N 1 2 408.568 2.541 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804435317 1078478150 /nfs/dbraw/zinc/47/81/50/1078478150.db2.gz DKSZQCCNCHYCFG-NZSAHSFTSA-N 1 2 403.523 2.574 20 0 HFADLO CN(C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)C(C)(C)C[NH+]1CCOCC1 ZINC001129772649 1078482245 /nfs/dbraw/zinc/48/22/45/1078482245.db2.gz IEBPPWVQBZIFSN-UHFFFAOYSA-N 1 2 403.504 2.722 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804438457 1078503839 /nfs/dbraw/zinc/50/38/39/1078503839.db2.gz OZVXODBICCSDSM-MISYRCLQSA-N 1 2 417.550 2.964 20 0 HFADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)CC1 ZINC001129808208 1078505263 /nfs/dbraw/zinc/50/52/63/1078505263.db2.gz KJUIEFXUZIYVGZ-UHFFFAOYSA-N 1 2 419.570 2.879 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)CC1 ZINC001129822686 1078517494 /nfs/dbraw/zinc/51/74/94/1078517494.db2.gz HTNSSOGMRQBINH-UHFFFAOYSA-N 1 2 416.522 2.643 20 0 HFADLO CCNc1nc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000804496011 1078552206 /nfs/dbraw/zinc/55/22/06/1078552206.db2.gz UKORGUGWSRVMGU-UONOGXRCSA-N 1 2 407.563 2.675 20 0 HFADLO Cc1ccc(/C=C/C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000804760913 1078612577 /nfs/dbraw/zinc/61/25/77/1078612577.db2.gz RDCIBLHGPFNCPR-IHHMQQGQSA-N 1 2 400.523 2.557 20 0 HFADLO Cc1cccc(C)c1NCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804762787 1078617879 /nfs/dbraw/zinc/61/78/79/1078617879.db2.gz KJSDQQSWKYXBGC-LJQANCHMSA-N 1 2 416.566 2.869 20 0 HFADLO Cc1nc2c(cccc2C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC000804765007 1078622231 /nfs/dbraw/zinc/62/22/31/1078622231.db2.gz RELQQMJNVFPRPS-MRXNPFEDSA-N 1 2 414.506 2.903 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC001129698448 1078657684 /nfs/dbraw/zinc/65/76/84/1078657684.db2.gz JISGPPFMCOCDMS-UHFFFAOYSA-N 1 2 410.558 2.894 20 0 HFADLO CSCC[C@H](C(=O)NCc1c[nH+]c(C)cc1C)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001129715414 1078670259 /nfs/dbraw/zinc/67/02/59/1078670259.db2.gz WLGNRYJTCPIYJN-FGTMMUONSA-N 1 2 403.548 2.612 20 0 HFADLO CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC001129726546 1078676436 /nfs/dbraw/zinc/67/64/36/1078676436.db2.gz FFPMLVZVGFFZHS-UHFFFAOYSA-N 1 2 417.550 2.820 20 0 HFADLO C[C@H](CCc1ccco1)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804870602 1078693074 /nfs/dbraw/zinc/69/30/74/1078693074.db2.gz FFSYYYHAQJTDPX-MSOLQXFVSA-N 1 2 420.554 2.937 20 0 HFADLO Cc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC000804920470 1078741370 /nfs/dbraw/zinc/74/13/70/1078741370.db2.gz JCBKKRURJWJKCS-MRXNPFEDSA-N 1 2 408.568 2.893 20 0 HFADLO O=C(c1cn2c(n1)CCC2)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001130013622 1078764422 /nfs/dbraw/zinc/76/44/22/1078764422.db2.gz QYFJDXDXCHFWNO-UHFFFAOYSA-N 1 2 415.295 2.920 20 0 HFADLO Cc1ccsc1CNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804991261 1078795578 /nfs/dbraw/zinc/79/55/78/1078795578.db2.gz NKJFTVSJBRIDEM-MRXNPFEDSA-N 1 2 408.568 2.893 20 0 HFADLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000804961809 1078800800 /nfs/dbraw/zinc/80/08/00/1078800800.db2.gz KZFXYGLVBRJTJQ-RDJZCZTQSA-N 1 2 403.527 2.748 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000804969978 1078806957 /nfs/dbraw/zinc/80/69/57/1078806957.db2.gz OOTVRKZHACTBDR-UGKGYDQZSA-N 1 2 400.567 2.724 20 0 HFADLO CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000804977033 1078813207 /nfs/dbraw/zinc/81/32/07/1078813207.db2.gz OFDWOMWSMMZKQE-CQSZACIVSA-N 1 2 424.535 2.616 20 0 HFADLO CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000804977033 1078813214 /nfs/dbraw/zinc/81/32/14/1078813214.db2.gz OFDWOMWSMMZKQE-CQSZACIVSA-N 1 2 424.535 2.616 20 0 HFADLO C[C@@]1(c2ccccc2)CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000805098164 1078885439 /nfs/dbraw/zinc/88/54/39/1078885439.db2.gz QQWLSTANOMYYCD-JOCHJYFZSA-N 1 2 421.607 2.649 20 0 HFADLO CC(C)c1cc(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)on1 ZINC000805115732 1078900150 /nfs/dbraw/zinc/90/01/50/1078900150.db2.gz PULMTEUOCNJSAZ-INIZCTEOSA-N 1 2 421.542 2.635 20 0 HFADLO Cn1cnc2c1nccc2C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000805160408 1078952329 /nfs/dbraw/zinc/95/23/29/1078952329.db2.gz AQEGUJABGDOBJU-UHFFFAOYSA-N 1 2 419.407 2.825 20 0 HFADLO CCSCC[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805163211 1078954717 /nfs/dbraw/zinc/95/47/17/1078954717.db2.gz DVASDQKSWPVOHP-IAGOWNOFSA-N 1 2 414.616 2.855 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)N[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000805213954 1078989453 /nfs/dbraw/zinc/98/94/53/1078989453.db2.gz XWUFQRVFQPXMSN-CABCVRRESA-N 1 2 402.486 2.511 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000805476927 1079092237 /nfs/dbraw/zinc/09/22/37/1079092237.db2.gz AXLMYFSAHIHYHN-YGRLFVJLSA-N 1 2 408.804 2.950 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000805476927 1079092239 /nfs/dbraw/zinc/09/22/39/1079092239.db2.gz AXLMYFSAHIHYHN-YGRLFVJLSA-N 1 2 408.804 2.950 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000805470694 1079089437 /nfs/dbraw/zinc/08/94/37/1079089437.db2.gz SWECFKIAGQZHSP-RBBKRZOGSA-N 1 2 414.477 2.637 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000805470694 1079089443 /nfs/dbraw/zinc/08/94/43/1079089443.db2.gz SWECFKIAGQZHSP-RBBKRZOGSA-N 1 2 414.477 2.637 20 0 HFADLO C[C@H](CNC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260464 1079125419 /nfs/dbraw/zinc/12/54/19/1079125419.db2.gz XBPZXJNZDUQTEG-KFWWJZLASA-N 1 2 418.488 2.867 20 0 HFADLO C[C@H](CNC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130260464 1079125426 /nfs/dbraw/zinc/12/54/26/1079125426.db2.gz XBPZXJNZDUQTEG-KFWWJZLASA-N 1 2 418.488 2.867 20 0 HFADLO O=S(=O)(/C=C/c1ccc(F)cc1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000747251710 1079127938 /nfs/dbraw/zinc/12/79/38/1079127938.db2.gz AQDJTJXMIQSNNB-OVCLIPMQSA-N 1 2 420.506 2.627 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000805762349 1079263686 /nfs/dbraw/zinc/26/36/86/1079263686.db2.gz HMRXCYMGDYTRBP-OAHLLOKOSA-N 1 2 402.451 2.908 20 0 HFADLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000805762349 1079263693 /nfs/dbraw/zinc/26/36/93/1079263693.db2.gz HMRXCYMGDYTRBP-OAHLLOKOSA-N 1 2 402.451 2.908 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000805830694 1079299491 /nfs/dbraw/zinc/29/94/91/1079299491.db2.gz FGSBVQZGLFJKNV-KRWDZBQOSA-N 1 2 403.527 2.587 20 0 HFADLO CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ncc(I)cn1 ZINC001130433383 1079333436 /nfs/dbraw/zinc/33/34/36/1079333436.db2.gz VKZWOISAHVORPZ-UHFFFAOYSA-N 1 2 419.226 2.603 20 0 HFADLO COCC[N@@H+]1CCN(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)C(C)(C)C1 ZINC001130421294 1079340867 /nfs/dbraw/zinc/34/08/67/1079340867.db2.gz NYNWVXSFAUHNMB-UHFFFAOYSA-N 1 2 412.556 2.981 20 0 HFADLO COCC[N@H+]1CCN(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)C(C)(C)C1 ZINC001130421294 1079340874 /nfs/dbraw/zinc/34/08/74/1079340874.db2.gz NYNWVXSFAUHNMB-UHFFFAOYSA-N 1 2 412.556 2.981 20 0 HFADLO Cn1ncc(CNC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)n1 ZINC000805998097 1079396414 /nfs/dbraw/zinc/39/64/14/1079396414.db2.gz KQYREJDRRJTCFI-UHFFFAOYSA-N 1 2 414.510 2.710 20 0 HFADLO COCc1ccccc1NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806203356 1079491386 /nfs/dbraw/zinc/49/13/86/1079491386.db2.gz WICGKSFKESLVFA-SFHVURJKSA-N 1 2 418.538 2.992 20 0 HFADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000787332722 1076744872 /nfs/dbraw/zinc/74/48/72/1076744872.db2.gz VISYCFZDAHYAFM-AQOAWAETSA-N 1 2 420.513 2.772 20 0 HFADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000787332722 1076744877 /nfs/dbraw/zinc/74/48/77/1076744877.db2.gz VISYCFZDAHYAFM-AQOAWAETSA-N 1 2 420.513 2.772 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)n[nH]2)C1 ZINC000787313325 1076758946 /nfs/dbraw/zinc/75/89/46/1076758946.db2.gz AFGROPSXHGJQGZ-HZPDHXFCSA-N 1 2 414.510 2.808 20 0 HFADLO O=C(NCC1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1)OCc1ccccc1 ZINC000787318217 1076761940 /nfs/dbraw/zinc/76/19/40/1076761940.db2.gz JKENCVVRNHXGDQ-LJQANCHMSA-N 1 2 411.506 2.546 20 0 HFADLO O=C(Cc1ccccc1CO)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000787381375 1076781286 /nfs/dbraw/zinc/78/12/86/1076781286.db2.gz RMWFQARFKSEKPK-UHFFFAOYSA-N 1 2 412.921 2.757 20 0 HFADLO O=C(Cc1ccccc1CO)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000787381375 1076781294 /nfs/dbraw/zinc/78/12/94/1076781294.db2.gz RMWFQARFKSEKPK-UHFFFAOYSA-N 1 2 412.921 2.757 20 0 HFADLO Cn1cc(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000787383749 1076782399 /nfs/dbraw/zinc/78/23/99/1076782399.db2.gz PKWXHPWHHFWHBP-UHFFFAOYSA-N 1 2 406.328 2.506 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000787353241 1076793386 /nfs/dbraw/zinc/79/33/86/1076793386.db2.gz XCKGVPDMWMIXKZ-MRXNPFEDSA-N 1 2 411.930 2.824 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000787353241 1076793388 /nfs/dbraw/zinc/79/33/88/1076793388.db2.gz XCKGVPDMWMIXKZ-MRXNPFEDSA-N 1 2 411.930 2.824 20 0 HFADLO COCc1cncc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1 ZINC000787531488 1076850752 /nfs/dbraw/zinc/85/07/52/1076850752.db2.gz BWRFHUIABXBZTR-UHFFFAOYSA-N 1 2 419.323 2.995 20 0 HFADLO Cc1noc(CCCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC000787537998 1076852889 /nfs/dbraw/zinc/85/28/89/1076852889.db2.gz ZXWLICLMZNHFAL-UHFFFAOYSA-N 1 2 422.327 2.854 20 0 HFADLO CN1CCN(c2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2Br)CC1 ZINC000787674182 1076889628 /nfs/dbraw/zinc/88/96/28/1076889628.db2.gz IZXRIWRPNHAVAP-AWEZNQCLSA-N 1 2 418.339 2.599 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CSCCS3)cc2Br)CC1 ZINC000787669725 1076905767 /nfs/dbraw/zinc/90/57/67/1076905767.db2.gz HTCRTWZSRBDTNW-HNNXBMFYSA-N 1 2 416.410 2.988 20 0 HFADLO O=C(NCCCCCCO)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000787886765 1076978574 /nfs/dbraw/zinc/97/85/74/1076978574.db2.gz NRNDAPRDKGFUAV-UHFFFAOYSA-N 1 2 403.445 2.965 20 0 HFADLO C[C@@H](NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)F)cc1 ZINC000787855589 1076981408 /nfs/dbraw/zinc/98/14/08/1076981408.db2.gz ORHKFSVBPRDCRM-CQSZACIVSA-N 1 2 414.412 2.967 20 0 HFADLO C[C@@H]1CC[C@@H](C)N1C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787903811 1076988978 /nfs/dbraw/zinc/98/89/78/1076988978.db2.gz YEGNSUFNWIBAQM-ZIAGYGMSSA-N 1 2 423.355 2.539 20 0 HFADLO CC(C)[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)Cc2ccco2)[C@H]1c1ccc(F)c(F)c1 ZINC000787938270 1077016865 /nfs/dbraw/zinc/01/68/65/1077016865.db2.gz GENJYBRLVJWXAL-VOBQZIQPSA-N 1 2 419.472 2.945 20 0 HFADLO CC(C)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)Cc2ccco2)[C@H]1c1ccc(F)c(F)c1 ZINC000787938270 1077016869 /nfs/dbraw/zinc/01/68/69/1077016869.db2.gz GENJYBRLVJWXAL-VOBQZIQPSA-N 1 2 419.472 2.945 20 0 HFADLO C[C@@H](Cc1ccco1)NC(=O)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000787942442 1077018989 /nfs/dbraw/zinc/01/89/89/1077018989.db2.gz SMHPPYJOUNXMKR-INIZCTEOSA-N 1 2 414.893 2.906 20 0 HFADLO COc1cccc(CNC(=O)C[N@@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000787998905 1077023947 /nfs/dbraw/zinc/02/39/47/1077023947.db2.gz ZWJQAILYKHHJEW-JOCHJYFZSA-N 1 2 403.523 2.787 20 0 HFADLO COc1cccc(CNC(=O)C[N@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC000787998905 1077023953 /nfs/dbraw/zinc/02/39/53/1077023953.db2.gz ZWJQAILYKHHJEW-JOCHJYFZSA-N 1 2 403.523 2.787 20 0 HFADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788002707 1077024605 /nfs/dbraw/zinc/02/46/05/1077024605.db2.gz HRJHVPDXJYTFRM-CYBMUJFWSA-N 1 2 413.465 2.643 20 0 HFADLO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000788003663 1077025215 /nfs/dbraw/zinc/02/52/15/1077025215.db2.gz ORIQBJFGJRKIIU-MRXNPFEDSA-N 1 2 405.539 2.928 20 0 HFADLO COc1cccc(OCC[NH+]2CCN(C(=O)CC3CCC4(CC3)OCCO4)CC2)c1 ZINC000788097151 1077057846 /nfs/dbraw/zinc/05/78/46/1077057846.db2.gz ORUCNDKNKUPNCI-UHFFFAOYSA-N 1 2 418.534 2.542 20 0 HFADLO O=C(COC(=O)c1cccnc1C(F)(F)F)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000788131215 1077061580 /nfs/dbraw/zinc/06/15/80/1077061580.db2.gz UGJORQGQODFIRP-UHFFFAOYSA-N 1 2 423.391 2.728 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21 ZINC000788156168 1077070667 /nfs/dbraw/zinc/07/06/67/1077070667.db2.gz LSOLVMWLHSJLCU-KRWDZBQOSA-N 1 2 423.429 2.576 20 0 HFADLO CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000788305438 1077093016 /nfs/dbraw/zinc/09/30/16/1077093016.db2.gz QNBABJMVPCOSDA-UHFFFAOYSA-N 1 2 409.571 2.735 20 0 HFADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000788325895 1077101199 /nfs/dbraw/zinc/10/11/99/1077101199.db2.gz CQUUNILKUQAZLG-KRWDZBQOSA-N 1 2 414.897 2.892 20 0 HFADLO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN(C)[C@H](C)C[NH+]1CCOCC1)C2=O ZINC000788377838 1077133995 /nfs/dbraw/zinc/13/39/95/1077133995.db2.gz KJPOYILPFGFSEY-PDDLGQBUSA-N 1 2 408.587 2.513 20 0 HFADLO Cc1onc2c1c(-c1ccccc1)nn(CN1CC[C@@H](Oc3cc[nH+]cc3)C1)c2=O ZINC000788380735 1077135660 /nfs/dbraw/zinc/13/56/60/1077135660.db2.gz NGXGGZZBFNJMEU-GOSISDBHSA-N 1 2 403.442 2.866 20 0 HFADLO CCOc1ccc(N2C[C@@H](C(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2=O)cc1 ZINC000788442115 1077148323 /nfs/dbraw/zinc/14/83/23/1077148323.db2.gz CYQLJNUXZTWYOC-FQEVSTJZSA-N 1 2 418.497 2.999 20 0 HFADLO COc1cc(Br)cc(C)c1NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000788543127 1077194645 /nfs/dbraw/zinc/19/46/45/1077194645.db2.gz XBDIASVOQNJQHV-CYBMUJFWSA-N 1 2 400.317 2.951 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000788543135 1077194686 /nfs/dbraw/zinc/19/46/86/1077194686.db2.gz XLQSSHSDZGSUBQ-YESZJQIVSA-N 1 2 408.518 2.624 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2snnc2C(C)(C)C)CC1 ZINC000788641032 1077243490 /nfs/dbraw/zinc/24/34/90/1077243490.db2.gz OKWZHSUUWIQRAL-UHFFFAOYSA-N 1 2 411.572 2.508 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)c1Cl ZINC000788680361 1077248059 /nfs/dbraw/zinc/24/80/59/1077248059.db2.gz OOAXFBIXVUQDHV-LLVKDONJSA-N 1 2 417.940 2.798 20 0 HFADLO CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000790964617 1077256385 /nfs/dbraw/zinc/25/63/85/1077256385.db2.gz RSDIPFOGYORQLY-UHFFFAOYSA-N 1 2 403.523 2.947 20 0 HFADLO CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000790987840 1077262138 /nfs/dbraw/zinc/26/21/38/1077262138.db2.gz IWGNWBITEVXUFH-NVXWUHKLSA-N 1 2 404.536 2.864 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)/C=C/c2ccc(Br)cc2)C[C@H](C)O1 ZINC000788696317 1077274915 /nfs/dbraw/zinc/27/49/15/1077274915.db2.gz OYFRYCOOIYCQDH-OGQTVDGUSA-N 1 2 417.369 2.791 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)/C=C/c2ccc(Br)cc2)C[C@H](C)O1 ZINC000788696317 1077274917 /nfs/dbraw/zinc/27/49/17/1077274917.db2.gz OYFRYCOOIYCQDH-OGQTVDGUSA-N 1 2 417.369 2.791 20 0 HFADLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000788768851 1077282807 /nfs/dbraw/zinc/28/28/07/1077282807.db2.gz BILFMOHNAONPPQ-OAQYLSRUSA-N 1 2 407.514 2.786 20 0 HFADLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000788768851 1077282815 /nfs/dbraw/zinc/28/28/15/1077282815.db2.gz BILFMOHNAONPPQ-OAQYLSRUSA-N 1 2 407.514 2.786 20 0 HFADLO O=S(=O)(c1ccccc1C(F)(F)F)N1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000788815936 1077306540 /nfs/dbraw/zinc/30/65/40/1077306540.db2.gz JMRQDLKOMVUOEY-MRXNPFEDSA-N 1 2 420.497 2.953 20 0 HFADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC000788835034 1077315245 /nfs/dbraw/zinc/31/52/45/1077315245.db2.gz QGLDWPIYUZNPTL-QGZVFWFLSA-N 1 2 421.494 2.545 20 0 HFADLO CCOC(=O)N1CCC(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000788844240 1077317873 /nfs/dbraw/zinc/31/78/73/1077317873.db2.gz LRWVIMQYVRNCIW-UHFFFAOYSA-N 1 2 403.527 2.729 20 0 HFADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000791269854 1077354326 /nfs/dbraw/zinc/35/43/26/1077354326.db2.gz CNLZZJYAFVTKSS-DVOMOZLQSA-N 1 2 412.456 2.888 20 0 HFADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000791269854 1077354327 /nfs/dbraw/zinc/35/43/27/1077354327.db2.gz CNLZZJYAFVTKSS-DVOMOZLQSA-N 1 2 412.456 2.888 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000791293548 1077358681 /nfs/dbraw/zinc/35/86/81/1077358681.db2.gz YLMWAXWGHDYTFY-UHFFFAOYSA-N 1 2 417.462 2.732 20 0 HFADLO C[C@@H](NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000788973749 1077366891 /nfs/dbraw/zinc/36/68/91/1077366891.db2.gz GQTOCJUTUNSJEF-HZPDHXFCSA-N 1 2 410.946 2.645 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000791307791 1077367415 /nfs/dbraw/zinc/36/74/15/1077367415.db2.gz VJALVNBBXZIRBF-UHFFFAOYSA-N 1 2 404.426 2.590 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000791311835 1077382763 /nfs/dbraw/zinc/38/27/63/1077382763.db2.gz RCRXEXXTBNCJOV-UHFFFAOYSA-N 1 2 419.528 2.691 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H](C)NC(=O)c1[nH]nc2ccccc21 ZINC000791365266 1077394429 /nfs/dbraw/zinc/39/44/29/1077394429.db2.gz KDCWZYLGTINORO-OAHLLOKOSA-N 1 2 403.442 2.919 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000791417675 1077404040 /nfs/dbraw/zinc/40/40/40/1077404040.db2.gz FLNKWWOVCHWRLK-QFIPXVFZSA-N 1 2 404.426 2.592 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000791455783 1077413081 /nfs/dbraw/zinc/41/30/81/1077413081.db2.gz TVLVCQCCEULJJH-RTWAWAEBSA-N 1 2 409.486 2.665 20 0 HFADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1nc(Br)ccc1F ZINC000791461015 1077434550 /nfs/dbraw/zinc/43/45/50/1077434550.db2.gz QGCGVCNZTWGERF-AWEZNQCLSA-N 1 2 408.271 2.614 20 0 HFADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1nc(Br)ccc1F ZINC000791461015 1077434552 /nfs/dbraw/zinc/43/45/52/1077434552.db2.gz QGCGVCNZTWGERF-AWEZNQCLSA-N 1 2 408.271 2.614 20 0 HFADLO COc1cc2c(c(OC)c1OC)CC[N@H+](CCS(=O)(=O)Cc1ccccc1)CC2 ZINC000791470280 1077443678 /nfs/dbraw/zinc/44/36/78/1077443678.db2.gz DAEFOUZQYCQYIF-UHFFFAOYSA-N 1 2 419.543 2.728 20 0 HFADLO COc1cc2c(c(OC)c1OC)CC[N@@H+](CCS(=O)(=O)Cc1ccccc1)CC2 ZINC000791470280 1077443679 /nfs/dbraw/zinc/44/36/79/1077443679.db2.gz DAEFOUZQYCQYIF-UHFFFAOYSA-N 1 2 419.543 2.728 20 0 HFADLO O=C(NC[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000791472753 1077445062 /nfs/dbraw/zinc/44/50/62/1077445062.db2.gz GNAXDXDLDLHUBF-NRFANRHFSA-N 1 2 400.544 2.886 20 0 HFADLO O=C(NC[C@@H]1CCCC[N@H+]1CCS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000791472753 1077445069 /nfs/dbraw/zinc/44/50/69/1077445069.db2.gz GNAXDXDLDLHUBF-NRFANRHFSA-N 1 2 400.544 2.886 20 0 HFADLO Cc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1S(=O)(=O)NCc1ccccc1 ZINC000791540718 1077458965 /nfs/dbraw/zinc/45/89/65/1077458965.db2.gz WCGHNIILNQXLQL-UHFFFAOYSA-N 1 2 411.483 2.808 20 0 HFADLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789246795 1077470509 /nfs/dbraw/zinc/47/05/09/1077470509.db2.gz XFPNPYHOCKHWND-JQHSSLGASA-N 1 2 404.511 2.890 20 0 HFADLO CC(C)c1noc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001086600363 1077506582 /nfs/dbraw/zinc/50/65/82/1077506582.db2.gz PJSMITVPQMNOCX-OSFNYYGPSA-N 1 2 422.529 2.701 20 0 HFADLO CC(C)c1noc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001086600363 1077506586 /nfs/dbraw/zinc/50/65/86/1077506586.db2.gz PJSMITVPQMNOCX-OSFNYYGPSA-N 1 2 422.529 2.701 20 0 HFADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789373941 1077544119 /nfs/dbraw/zinc/54/41/19/1077544119.db2.gz IHPZACGTLYAAIE-KRWDZBQOSA-N 1 2 408.955 2.834 20 0 HFADLO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789373941 1077544124 /nfs/dbraw/zinc/54/41/24/1077544124.db2.gz IHPZACGTLYAAIE-KRWDZBQOSA-N 1 2 408.955 2.834 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)C1=O ZINC000789422578 1077552837 /nfs/dbraw/zinc/55/28/37/1077552837.db2.gz DDWOBZLHXAJEHV-HXOBKFHXSA-N 1 2 420.598 2.953 20 0 HFADLO Cc1c(Cl)cccc1N1CCC[N@H+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 ZINC000789440881 1077573690 /nfs/dbraw/zinc/57/36/90/1077573690.db2.gz DZESBBAWDAPUBX-UHFFFAOYSA-N 1 2 418.925 2.851 20 0 HFADLO Cc1c(Cl)cccc1N1CCC[N@@H+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 ZINC000789440881 1077573693 /nfs/dbraw/zinc/57/36/93/1077573693.db2.gz DZESBBAWDAPUBX-UHFFFAOYSA-N 1 2 418.925 2.851 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+]3C[C@H](C)C[C@@H](C)[C@H]3C)nc(=O)c2c1C ZINC000789449706 1077579132 /nfs/dbraw/zinc/57/91/32/1077579132.db2.gz IYQZWQCWZJIMRM-YRGRVCCFSA-N 1 2 407.536 2.963 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@H+]3C[C@H](C)C[C@@H](C)[C@H]3C)nc(=O)c2c1C ZINC000789449706 1077579137 /nfs/dbraw/zinc/57/91/37/1077579137.db2.gz IYQZWQCWZJIMRM-YRGRVCCFSA-N 1 2 407.536 2.963 20 0 HFADLO Cc1ccc(NC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)c(N(C)C)[nH+]1 ZINC000791844690 1077583011 /nfs/dbraw/zinc/58/30/11/1077583011.db2.gz GTVQOIATNWBRQQ-AWEZNQCLSA-N 1 2 406.284 2.567 20 0 HFADLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521926 1077616463 /nfs/dbraw/zinc/61/64/63/1077616463.db2.gz OEWLDFFGUQDBHX-HNAYVOBHSA-N 1 2 412.465 2.595 20 0 HFADLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521926 1077616469 /nfs/dbraw/zinc/61/64/69/1077616469.db2.gz OEWLDFFGUQDBHX-HNAYVOBHSA-N 1 2 412.465 2.595 20 0 HFADLO CCOC(=O)c1ccc2c(c1)n(C[NH+]1CCC3(CCOCC3)CC1)c(=O)n2CC ZINC000789529071 1077623991 /nfs/dbraw/zinc/62/39/91/1077623991.db2.gz JRMXAVLKCPASKZ-UHFFFAOYSA-N 1 2 401.507 2.850 20 0 HFADLO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000791990937 1077626365 /nfs/dbraw/zinc/62/63/65/1077626365.db2.gz PFIYJCLCEJVSBZ-QGZVFWFLSA-N 1 2 405.539 2.894 20 0 HFADLO C[C@@H](CC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1)c1ccc(F)c(Br)c1 ZINC001170111884 1077679905 /nfs/dbraw/zinc/67/99/05/1077679905.db2.gz ISIVUIBHYLMSKF-YVEFUNNKSA-N 1 2 409.303 2.988 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)N(C)Cc3[nH+]cc(C)c(OC)c3C)C2)c1 ZINC000792106947 1077700040 /nfs/dbraw/zinc/70/00/40/1077700040.db2.gz QBWHPSOAQCTDNG-FQEVSTJZSA-N 1 2 413.474 2.876 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)[nH+]1 ZINC000789600222 1077703894 /nfs/dbraw/zinc/70/38/94/1077703894.db2.gz NMXOMGDSIQZWPN-UHFFFAOYSA-N 1 2 409.155 2.665 20 0 HFADLO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000746836346 1077708300 /nfs/dbraw/zinc/70/83/00/1077708300.db2.gz GRKZPKOQYDTOBM-KRWDZBQOSA-N 1 2 404.555 2.876 20 0 HFADLO C[C@H](NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccc(F)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000792143068 1077721399 /nfs/dbraw/zinc/72/13/99/1077721399.db2.gz FEQKWYBNAAGECW-TXPKVOOTSA-N 1 2 423.529 2.659 20 0 HFADLO CC(C)(C)OC(=O)N[C@]1(C(=O)OCc2cc[nH+]c(N)c2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000792161463 1077727302 /nfs/dbraw/zinc/72/73/02/1077727302.db2.gz UFCQWMCTLXDXSS-HTZUNMPGSA-N 1 2 405.495 2.806 20 0 HFADLO Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000789691029 1077729526 /nfs/dbraw/zinc/72/95/26/1077729526.db2.gz QLDNZECEAYCHGC-NVXWUHKLSA-N 1 2 408.836 2.822 20 0 HFADLO Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000789691029 1077729534 /nfs/dbraw/zinc/72/95/34/1077729534.db2.gz QLDNZECEAYCHGC-NVXWUHKLSA-N 1 2 408.836 2.822 20 0 HFADLO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000789731390 1077742150 /nfs/dbraw/zinc/74/21/50/1077742150.db2.gz BDPZSDZETAPEGN-GOSISDBHSA-N 1 2 401.507 2.714 20 0 HFADLO COc1nc(Br)ccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000789702484 1077743995 /nfs/dbraw/zinc/74/39/95/1077743995.db2.gz SZLAQEGNAQHBHZ-OAHLLOKOSA-N 1 2 406.280 2.692 20 0 HFADLO COc1nc(Br)ccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000789702484 1077744000 /nfs/dbraw/zinc/74/40/00/1077744000.db2.gz SZLAQEGNAQHBHZ-OAHLLOKOSA-N 1 2 406.280 2.692 20 0 HFADLO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000789751676 1077783245 /nfs/dbraw/zinc/78/32/45/1077783245.db2.gz DCETVKLBKQWYJV-ZBFHGGJFSA-N 1 2 420.945 2.566 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C[C@H](C)O1 ZINC000789794374 1077800268 /nfs/dbraw/zinc/80/02/68/1077800268.db2.gz BEEBGZOZBALCDA-BETUJISGSA-N 1 2 419.469 2.805 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccccc2SC(F)(F)F)C[C@H](C)O1 ZINC000789794374 1077800275 /nfs/dbraw/zinc/80/02/75/1077800275.db2.gz BEEBGZOZBALCDA-BETUJISGSA-N 1 2 419.469 2.805 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)Nc2ccc(SC(F)F)cc2)C[C@H](C)O1 ZINC000789795250 1077801595 /nfs/dbraw/zinc/80/15/95/1077801595.db2.gz ZYNJBJSXRTWSKG-BETUJISGSA-N 1 2 401.479 2.507 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)Nc2ccc(SC(F)F)cc2)C[C@H](C)O1 ZINC000789795250 1077801603 /nfs/dbraw/zinc/80/16/03/1077801603.db2.gz ZYNJBJSXRTWSKG-BETUJISGSA-N 1 2 401.479 2.507 20 0 HFADLO Cc1cc(NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cnc1Cl ZINC000789796468 1077801883 /nfs/dbraw/zinc/80/18/83/1077801883.db2.gz ICAHZHZAANBLSA-UHFFFAOYSA-N 1 2 401.898 2.921 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000789797985 1077803251 /nfs/dbraw/zinc/80/32/51/1077803251.db2.gz WELBOWFVYDRJGL-UHFFFAOYSA-N 1 2 401.479 2.509 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000789797985 1077803256 /nfs/dbraw/zinc/80/32/56/1077803256.db2.gz WELBOWFVYDRJGL-UHFFFAOYSA-N 1 2 401.479 2.509 20 0 HFADLO CC1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)CC1 ZINC000789796775 1077803282 /nfs/dbraw/zinc/80/32/82/1077803282.db2.gz SXPSTOLFUYBLTO-OAQYLSRUSA-N 1 2 408.502 2.936 20 0 HFADLO O=C(Nc1ccnn1C1CCCC1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789797785 1077803589 /nfs/dbraw/zinc/80/35/89/1077803589.db2.gz UNQISTNPPYOAGI-UHFFFAOYSA-N 1 2 410.522 2.876 20 0 HFADLO COC(=O)CC[N@H+](CCS(=O)(=O)C(C)C)Cc1cccc(Br)c1 ZINC000792327364 1077808915 /nfs/dbraw/zinc/80/89/15/1077808915.db2.gz NPIRPSOINYEZLJ-UHFFFAOYSA-N 1 2 406.342 2.637 20 0 HFADLO COC(=O)CC[N@@H+](CCS(=O)(=O)C(C)C)Cc1cccc(Br)c1 ZINC000792327364 1077808928 /nfs/dbraw/zinc/80/89/28/1077808928.db2.gz NPIRPSOINYEZLJ-UHFFFAOYSA-N 1 2 406.342 2.637 20 0 HFADLO C[C@H](NC(=O)c1nc(Br)cs1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000792344262 1077828061 /nfs/dbraw/zinc/82/80/61/1077828061.db2.gz KAJBRJRTSVITOI-GXTWGEPZSA-N 1 2 410.337 2.925 20 0 HFADLO C[C@H](NC(=O)c1nc(Br)cs1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000792344262 1077828070 /nfs/dbraw/zinc/82/80/70/1077828070.db2.gz KAJBRJRTSVITOI-GXTWGEPZSA-N 1 2 410.337 2.925 20 0 HFADLO C[C@@H](NC(=O)c1nc(Br)cs1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000792344266 1077828127 /nfs/dbraw/zinc/82/81/27/1077828127.db2.gz KAJBRJRTSVITOI-OCCSQVGLSA-N 1 2 410.337 2.925 20 0 HFADLO C[C@@H](NC(=O)c1nc(Br)cs1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000792344266 1077828132 /nfs/dbraw/zinc/82/81/32/1077828132.db2.gz KAJBRJRTSVITOI-OCCSQVGLSA-N 1 2 410.337 2.925 20 0 HFADLO COc1cc(OC)cc(N2CC[C@H]([NH+]3CCC(Oc4ccc(F)nc4)CC3)C2=O)c1 ZINC000792388847 1077831033 /nfs/dbraw/zinc/83/10/33/1077831033.db2.gz NVZHDCOYMCRWGR-FQEVSTJZSA-N 1 2 415.465 2.887 20 0 HFADLO CCC[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](O)c1ccccc1 ZINC000792567713 1077906972 /nfs/dbraw/zinc/90/69/72/1077906972.db2.gz BMBDHWGVEAZLOP-HYBUGGRVSA-N 1 2 424.545 2.529 20 0 HFADLO CO[C@@H]1C[N@H+](Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)C[C@H]1O ZINC001170307598 1077947848 /nfs/dbraw/zinc/94/78/48/1077947848.db2.gz CPBVAJDZTOBIGA-HZPDHXFCSA-N 1 2 404.264 2.844 20 0 HFADLO CO[C@@H]1C[N@@H+](Cc2nnc(-c3ccc4cc(Br)ccc4c3)o2)C[C@H]1O ZINC001170307598 1077947851 /nfs/dbraw/zinc/94/78/51/1077947851.db2.gz CPBVAJDZTOBIGA-HZPDHXFCSA-N 1 2 404.264 2.844 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000790130686 1077951976 /nfs/dbraw/zinc/95/19/76/1077951976.db2.gz BWAUWQWWXYXXIR-HTAPYJJXSA-N 1 2 405.539 2.606 20 0 HFADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790132630 1077952689 /nfs/dbraw/zinc/95/26/89/1077952689.db2.gz PQBBNLHOHONUHK-MRXNPFEDSA-N 1 2 404.942 2.994 20 0 HFADLO CCCCCCn1nc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c2ccccc2c1=O ZINC000790135391 1077953563 /nfs/dbraw/zinc/95/35/63/1077953563.db2.gz JQZJBVYGBZRZMF-GOSISDBHSA-N 1 2 414.550 2.770 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cn(C(C)(C)C)nc1Br ZINC000790123312 1077958665 /nfs/dbraw/zinc/95/86/65/1077958665.db2.gz AVEZKOBNUJNPSA-UHFFFAOYSA-N 1 2 401.349 2.583 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cn(C(C)(C)C)nc1Br ZINC000790123312 1077958666 /nfs/dbraw/zinc/95/86/66/1077958666.db2.gz AVEZKOBNUJNPSA-UHFFFAOYSA-N 1 2 401.349 2.583 20 0 HFADLO O=C(N/C(=C\c1cccnc1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000790152406 1077965725 /nfs/dbraw/zinc/96/57/25/1077965725.db2.gz CSSYENAJSTVTMZ-JHRFGPFWSA-N 1 2 414.465 2.927 20 0 HFADLO COc1ccc(Cl)cc1NC(=S)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000792670543 1077969611 /nfs/dbraw/zinc/96/96/11/1077969611.db2.gz YDPJHIIKFZTURT-UHFFFAOYSA-N 1 2 417.926 2.544 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)C[C@H]1CCCOC1 ZINC000792765269 1077988510 /nfs/dbraw/zinc/98/85/10/1077988510.db2.gz KZTNIRLLCXZQQR-YYWHXJBOSA-N 1 2 409.596 2.679 20 0 HFADLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)C[C@H]1CCCOC1 ZINC000792765269 1077988512 /nfs/dbraw/zinc/98/85/12/1077988512.db2.gz KZTNIRLLCXZQQR-YYWHXJBOSA-N 1 2 409.596 2.679 20 0 HFADLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCOC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000792770150 1077997369 /nfs/dbraw/zinc/99/73/69/1077997369.db2.gz PVJLFIHWACTGJG-JVPBZIDWSA-N 1 2 402.507 2.835 20 0 HFADLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCOC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000792770150 1077997371 /nfs/dbraw/zinc/99/73/71/1077997371.db2.gz PVJLFIHWACTGJG-JVPBZIDWSA-N 1 2 402.507 2.835 20 0 HFADLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCOC2)[C@H]1c1ccc(F)c(F)c1 ZINC000792770152 1077997431 /nfs/dbraw/zinc/99/74/31/1077997431.db2.gz PVJLFIHWACTGJG-MDASCCDHSA-N 1 2 402.507 2.835 20 0 HFADLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2CCCOC2)[C@H]1c1ccc(F)c(F)c1 ZINC000792770152 1077997432 /nfs/dbraw/zinc/99/74/32/1077997432.db2.gz PVJLFIHWACTGJG-MDASCCDHSA-N 1 2 402.507 2.835 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000790343475 1078007865 /nfs/dbraw/zinc/00/78/65/1078007865.db2.gz ZDXISHUUCHHURU-LSDHHAIUSA-N 1 2 400.516 2.835 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000790343475 1078007869 /nfs/dbraw/zinc/00/78/69/1078007869.db2.gz ZDXISHUUCHHURU-LSDHHAIUSA-N 1 2 400.516 2.835 20 0 HFADLO Cc1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1-c1ccccc1 ZINC000792834131 1078008169 /nfs/dbraw/zinc/00/81/69/1078008169.db2.gz COYSVRVCFORWIM-HXUWFJFHSA-N 1 2 407.514 2.781 20 0 HFADLO C[C@@]12CCN(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]1C2(Cl)Cl ZINC000792897437 1078018957 /nfs/dbraw/zinc/01/89/57/1078018957.db2.gz AXKGFNJJKFUVCZ-PKOBYXMFSA-N 1 2 412.361 2.973 20 0 HFADLO CC1(C)C[N@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC[C@@H]1C(F)(F)F ZINC000790459435 1078026982 /nfs/dbraw/zinc/02/69/82/1078026982.db2.gz FHNTVRVXLDIBNN-ZDUSSCGKSA-N 1 2 417.453 2.949 20 0 HFADLO CC1(C)C[N@@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC[C@@H]1C(F)(F)F ZINC000790459435 1078026987 /nfs/dbraw/zinc/02/69/87/1078026987.db2.gz FHNTVRVXLDIBNN-ZDUSSCGKSA-N 1 2 417.453 2.949 20 0 HFADLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000792933298 1078028488 /nfs/dbraw/zinc/02/84/88/1078028488.db2.gz XNAKMKVDYAAANW-UHFFFAOYSA-N 1 2 406.442 2.650 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c(Cl)cc1Cl ZINC000790456636 1078037462 /nfs/dbraw/zinc/03/74/62/1078037462.db2.gz MPLYVBPPZOMZKD-UHFFFAOYSA-N 1 2 418.302 2.791 20 0 HFADLO Cc1nc(C)c(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC000806336068 1079606957 /nfs/dbraw/zinc/60/69/57/1079606957.db2.gz ILCOCNSRILTXRP-HNNXBMFYSA-N 1 2 409.556 2.919 20 0 HFADLO COc1ccc(F)c(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000806342334 1079613898 /nfs/dbraw/zinc/61/38/98/1079613898.db2.gz IPOUHDAXHFUFDJ-OAHLLOKOSA-N 1 2 422.501 2.993 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccnc(Cl)c3)C2)CC1 ZINC000806379935 1079628231 /nfs/dbraw/zinc/62/82/31/1079628231.db2.gz WOBDZXUDRZHVSB-OAHLLOKOSA-N 1 2 409.918 2.894 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000806357560 1079646038 /nfs/dbraw/zinc/64/60/38/1079646038.db2.gz ITWDWAUEDXKBGX-KRWDZBQOSA-N 1 2 419.526 2.749 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000806363291 1079649486 /nfs/dbraw/zinc/64/94/86/1079649486.db2.gz VTOJZPRFXQFKGL-SFHVURJKSA-N 1 2 403.527 2.882 20 0 HFADLO COc1ccc(C)nc1NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806424987 1079669170 /nfs/dbraw/zinc/66/91/70/1079669170.db2.gz QOPIGNGFIDOKRS-INIZCTEOSA-N 1 2 419.526 2.558 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCCC(C)(C)C3)CC2)cc1 ZINC000806756917 1079975827 /nfs/dbraw/zinc/97/58/27/1079975827.db2.gz ASVGLQWUSRXTQQ-GOSISDBHSA-N 1 2 400.567 2.923 20 0 HFADLO C[C@@H](NC(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000806741816 1079996988 /nfs/dbraw/zinc/99/69/88/1079996988.db2.gz RLGBCSUWNNCPHG-ZRNYENFQSA-N 1 2 424.586 2.528 20 0 HFADLO CC(C)Cn1ncc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1C1CC1 ZINC000806842012 1080055184 /nfs/dbraw/zinc/05/51/84/1080055184.db2.gz DWMKMSYDJAEXPU-QGZVFWFLSA-N 1 2 400.527 2.783 20 0 HFADLO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CSc3n[nH]c(=S)s3)cc2)C[C@H](C)O1 ZINC000747360213 1080055692 /nfs/dbraw/zinc/05/56/92/1080055692.db2.gz QAJMOTMAJCIHBU-BETUJISGSA-N 1 2 424.617 2.845 20 0 HFADLO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CSc3n[nH]c(=S)s3)cc2)C[C@H](C)O1 ZINC000747360213 1080055701 /nfs/dbraw/zinc/05/57/01/1080055701.db2.gz QAJMOTMAJCIHBU-BETUJISGSA-N 1 2 424.617 2.845 20 0 HFADLO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000806880906 1080079928 /nfs/dbraw/zinc/07/99/28/1080079928.db2.gz BMMOTNZPGHGBPX-MOPGFXCFSA-N 1 2 413.522 2.966 20 0 HFADLO CCSCC[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806888176 1080085671 /nfs/dbraw/zinc/08/56/71/1080085671.db2.gz JZQSQDMDJPNMAR-IAGOWNOFSA-N 1 2 414.616 2.855 20 0 HFADLO C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C[C@H]1C ZINC000806925953 1080094925 /nfs/dbraw/zinc/09/49/25/1080094925.db2.gz TVJYISOJQSDDQI-LMMKCTJWSA-N 1 2 400.567 2.779 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000806898359 1080105695 /nfs/dbraw/zinc/10/56/95/1080105695.db2.gz BYJVOMPFPUBYMD-GOSISDBHSA-N 1 2 401.511 2.886 20 0 HFADLO COc1ccc2cc(NC(=O)C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)ccc2c1 ZINC000807006014 1080205823 /nfs/dbraw/zinc/20/58/23/1080205823.db2.gz RBMAYICXDWMVRJ-FQEVSTJZSA-N 1 2 411.502 2.500 20 0 HFADLO Cc1nnc(CC[NH+]2CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)o1 ZINC001170517479 1080231699 /nfs/dbraw/zinc/23/16/99/1080231699.db2.gz BWXFLCHXGHXWDH-HSZRJFAPSA-N 1 2 419.529 2.596 20 0 HFADLO Cc1ccncc1[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807065255 1080247980 /nfs/dbraw/zinc/24/79/80/1080247980.db2.gz HJKUCSILYQZACU-ZWKOTPCHSA-N 1 2 417.554 2.788 20 0 HFADLO CC(C)[C@@H]1C[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCO1 ZINC000807066278 1080248929 /nfs/dbraw/zinc/24/89/29/1080248929.db2.gz INBAWEJNJSLBQB-OTWHNJEPSA-N 1 2 424.586 2.527 20 0 HFADLO O=C(c1ccc(OC(F)F)c(Br)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001130833333 1080253834 /nfs/dbraw/zinc/25/38/34/1080253834.db2.gz YFXGMLWXLCPAMA-GFCCVEGCSA-N 1 2 405.239 2.597 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)N[C@@H]3CC(C)(C)OC3(C)C)CC2)C1 ZINC000807081033 1080260945 /nfs/dbraw/zinc/26/09/45/1080260945.db2.gz NGAJYFIOELCCBK-DLBZAZTESA-N 1 2 424.586 2.669 20 0 HFADLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc(Br)ncc1Cl ZINC000807080095 1080261316 /nfs/dbraw/zinc/26/13/16/1080261316.db2.gz NSFDKLNNCQSOAC-KGLIPLIRSA-N 1 2 402.720 2.871 20 0 HFADLO C[N@@H+]1CCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)[C@H](c2ccccc2)C1 ZINC000807088450 1080266587 /nfs/dbraw/zinc/26/65/87/1080266587.db2.gz BKOONVXXJVXQOC-XZOQPEGZSA-N 1 2 421.541 2.786 20 0 HFADLO C[N@H+]1CCN(C(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)[C@H](c2ccccc2)C1 ZINC000807088450 1080266595 /nfs/dbraw/zinc/26/65/95/1080266595.db2.gz BKOONVXXJVXQOC-XZOQPEGZSA-N 1 2 421.541 2.786 20 0 HFADLO CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000807149500 1080307467 /nfs/dbraw/zinc/30/74/67/1080307467.db2.gz DCBYHONUACRBRX-MSOLQXFVSA-N 1 2 403.527 2.631 20 0 HFADLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)c(Cl)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807156885 1080313134 /nfs/dbraw/zinc/31/31/34/1080313134.db2.gz MXLSQBYABYGYKG-UKRRQHHQSA-N 1 2 411.264 2.802 20 0 HFADLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)c(Cl)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807156885 1080313159 /nfs/dbraw/zinc/31/31/59/1080313159.db2.gz MXLSQBYABYGYKG-UKRRQHHQSA-N 1 2 411.264 2.802 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807157040 1080313274 /nfs/dbraw/zinc/31/32/74/1080313274.db2.gz PCZHYJMZKNIYSV-KKUMJFAQSA-N 1 2 421.822 2.894 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000807157040 1080313287 /nfs/dbraw/zinc/31/32/87/1080313287.db2.gz PCZHYJMZKNIYSV-KKUMJFAQSA-N 1 2 421.822 2.894 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807157041 1080313771 /nfs/dbraw/zinc/31/37/71/1080313771.db2.gz PCZHYJMZKNIYSV-RRFJBIMHSA-N 1 2 421.822 2.894 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807157041 1080313783 /nfs/dbraw/zinc/31/37/83/1080313783.db2.gz PCZHYJMZKNIYSV-RRFJBIMHSA-N 1 2 421.822 2.894 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCC(C)(C)C(F)(F)F)CC2)C1 ZINC000807211945 1080360542 /nfs/dbraw/zinc/36/05/42/1080360542.db2.gz KJYKFRFDZFHIEW-CQSZACIVSA-N 1 2 422.492 2.912 20 0 HFADLO CC/C(=C\C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1ccc(OC)cc1 ZINC000747378746 1080408068 /nfs/dbraw/zinc/40/80/68/1080408068.db2.gz BXOMBXSEDRORCD-DTQAZKPQSA-N 1 2 406.490 2.514 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000807280463 1080439920 /nfs/dbraw/zinc/43/99/20/1080439920.db2.gz KKHTUOGMSLFZFA-KRWDZBQOSA-N 1 2 421.482 2.769 20 0 HFADLO CCCOc1ccc(-c2nc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(=O)OC)cs2)cc1 ZINC000807280363 1080440012 /nfs/dbraw/zinc/44/00/12/1080440012.db2.gz GGDNNTDLTQXOFV-INIZCTEOSA-N 1 2 414.487 2.767 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc2c(c1)nc(C)n2Cc1ccsc1 ZINC000807281321 1080441626 /nfs/dbraw/zinc/44/16/26/1080441626.db2.gz RALYZKDHUBGRDJ-SFHVURJKSA-N 1 2 423.498 2.623 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000807281804 1080441724 /nfs/dbraw/zinc/44/17/24/1080441724.db2.gz WYYVPBLNSGGMMZ-CYBMUJFWSA-N 1 2 424.404 2.997 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1cc(Cl)ccc1Br ZINC000807284029 1080443031 /nfs/dbraw/zinc/44/30/31/1080443031.db2.gz HTPVTWDHWOQOEV-CQSZACIVSA-N 1 2 414.687 2.590 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)c(Br)c(Cl)c1 ZINC000807285416 1080448333 /nfs/dbraw/zinc/44/83/33/1080448333.db2.gz VYDSQEHXQNIQJO-LBPRGKRZSA-N 1 2 400.660 2.579 20 0 HFADLO C[C@H](O)c1cc(NC(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)ccc1F ZINC000807398479 1080594706 /nfs/dbraw/zinc/59/47/06/1080594706.db2.gz VCPAMXAFZGRHBG-GJZGRUSLSA-N 1 2 415.465 2.849 20 0 HFADLO Cc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000747400029 1080687590 /nfs/dbraw/zinc/68/75/90/1080687590.db2.gz FKLFUNNSMDPDOQ-KRWDZBQOSA-N 1 2 412.534 2.957 20 0 HFADLO C[C@@H](CNC(=O)Cc1csc(NC(=O)Cc2cccs2)n1)Cn1cc[nH+]c1 ZINC000747401467 1080765544 /nfs/dbraw/zinc/76/55/44/1080765544.db2.gz XNBLAIDRYWQATK-ZDUSSCGKSA-N 1 2 403.533 2.577 20 0 HFADLO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC001460699825 1126192118 /nfs/dbraw/zinc/19/21/18/1126192118.db2.gz YPGGOBAIDNUXRW-OAQYLSRUSA-N 1 2 412.515 2.882 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2c(Cl)ccnc2cn1 ZINC001164700189 719860096 /nfs/dbraw/zinc/86/00/96/719860096.db2.gz HDRAKIIRNGZGBT-VLIAUNLRSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)c(Cl)cc1Cl ZINC001164707607 719864444 /nfs/dbraw/zinc/86/44/44/719864444.db2.gz UGUMYBXWVGSLKX-ACJLOTCBSA-N 1 2 402.322 2.930 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc(C)c2)nn1 ZINC001164702367 719868762 /nfs/dbraw/zinc/86/87/62/719868762.db2.gz IPNPJUHYQNPKIW-AUSIDOKSSA-N 1 2 410.518 2.685 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2nc(Cl)cnc2cc1F ZINC001164707625 719871683 /nfs/dbraw/zinc/87/16/83/719871683.db2.gz UQEUEZVZPIVZGC-XCLFUZPHSA-N 1 2 422.888 2.655 20 0 HFADLO COc1nc(Cl)ncc1C(F)(F)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164780529 721422926 /nfs/dbraw/zinc/42/29/26/721422926.db2.gz AGFJIEAYCRRKBC-QWRGUYRKSA-N 1 2 401.870 2.708 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cncc(OCc3ccccc3)n1)C2 ZINC001165009066 721698322 /nfs/dbraw/zinc/69/83/22/721698322.db2.gz NNPUSTXMVPABNJ-UHFFFAOYSA-N 1 2 407.522 2.898 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cncc(OCc3ccccc3)n1)C2 ZINC001165009066 721698328 /nfs/dbraw/zinc/69/83/28/721698328.db2.gz NNPUSTXMVPABNJ-UHFFFAOYSA-N 1 2 407.522 2.898 20 0 HFADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H](OCC5CC5)[C@@H]5COC[C@@H]54)c3C2)cc1 ZINC001165014765 721760915 /nfs/dbraw/zinc/76/09/15/721760915.db2.gz ILLASUPCCVFSBZ-PUHATCMVSA-N 1 2 406.530 2.665 20 0 HFADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H](OCC5CC5)[C@@H]5COC[C@@H]54)c3C2)cc1 ZINC001165014765 721760920 /nfs/dbraw/zinc/76/09/20/721760920.db2.gz ILLASUPCCVFSBZ-PUHATCMVSA-N 1 2 406.530 2.665 20 0 HFADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164912087 721777757 /nfs/dbraw/zinc/77/77/57/721777757.db2.gz KBOZGASSRUEUAR-XMMPIXPASA-N 1 2 420.513 2.746 20 0 HFADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164912087 721777759 /nfs/dbraw/zinc/77/77/59/721777759.db2.gz KBOZGASSRUEUAR-XMMPIXPASA-N 1 2 420.513 2.746 20 0 HFADLO CSc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C)c1 ZINC001164916320 721792213 /nfs/dbraw/zinc/79/22/13/721792213.db2.gz PRYMPGAJCWYXFF-OAQYLSRUSA-N 1 2 400.548 2.615 20 0 HFADLO CSc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C)c1 ZINC001164916320 721792218 /nfs/dbraw/zinc/79/22/18/721792218.db2.gz PRYMPGAJCWYXFF-OAQYLSRUSA-N 1 2 400.548 2.615 20 0 HFADLO c1ccc(-c2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cn2)cc1 ZINC001164914018 721794029 /nfs/dbraw/zinc/79/40/29/721794029.db2.gz KBCBQICNQLNJJT-DEOSSOPVSA-N 1 2 417.513 2.646 20 0 HFADLO c1ccc(-c2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cn2)cc1 ZINC001164914018 721794033 /nfs/dbraw/zinc/79/40/33/721794033.db2.gz KBCBQICNQLNJJT-DEOSSOPVSA-N 1 2 417.513 2.646 20 0 HFADLO Cc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)o1 ZINC001164915244 721796991 /nfs/dbraw/zinc/79/69/91/721796991.db2.gz URWQAOXMLZDXCV-HSZRJFAPSA-N 1 2 421.501 2.548 20 0 HFADLO Cc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)o1 ZINC001164915244 721796992 /nfs/dbraw/zinc/79/69/92/721796992.db2.gz URWQAOXMLZDXCV-HSZRJFAPSA-N 1 2 421.501 2.548 20 0 HFADLO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)no1 ZINC001164917204 721819016 /nfs/dbraw/zinc/81/90/16/721819016.db2.gz DKMNCFFUCSEZJI-UHFFFAOYSA-N 1 2 421.505 2.576 20 0 HFADLO Cc1csc2cnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc12 ZINC001164947108 721977395 /nfs/dbraw/zinc/97/73/95/721977395.db2.gz NWYYSDXKRDFSJS-UHFFFAOYSA-N 1 2 407.543 2.971 20 0 HFADLO Cc1csc2cnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc12 ZINC001164947108 721977398 /nfs/dbraw/zinc/97/73/98/721977398.db2.gz NWYYSDXKRDFSJS-UHFFFAOYSA-N 1 2 407.543 2.971 20 0 HFADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056154 722017129 /nfs/dbraw/zinc/01/71/29/722017129.db2.gz XOAAENQOXVDIOL-UHFFFAOYSA-N 1 2 410.852 2.826 20 0 HFADLO CC[C@@]1(c2ccccc2)NC(=O)N(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)C1=O ZINC000790466904 1078044962 /nfs/dbraw/zinc/04/49/62/1078044962.db2.gz WRJSIRKDTORSJI-QFIPXVFZSA-N 1 2 412.465 2.879 20 0 HFADLO Cc1nn(C)c(C[NH2+]CC(=O)Nc2ccc(Br)cc2)c1Br ZINC000790467499 1078045330 /nfs/dbraw/zinc/04/53/30/1078045330.db2.gz FBHHWCJJXZMPLP-UHFFFAOYSA-N 1 2 416.117 2.982 20 0 HFADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)Nc2cccc(Cl)n2)c2ccc(Cl)cc2)C1 ZINC000793016151 1078050172 /nfs/dbraw/zinc/05/01/72/1078050172.db2.gz UKCQUQJBFMMWSZ-WMLDXEAASA-N 1 2 423.300 2.515 20 0 HFADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)Nc2cccc(Cl)n2)c2ccc(Cl)cc2)C1 ZINC000793016151 1078050167 /nfs/dbraw/zinc/05/01/67/1078050167.db2.gz UKCQUQJBFMMWSZ-WMLDXEAASA-N 1 2 423.300 2.515 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3C[C@@]4(CCOC4)OC(C)(C)C3)CC2)cc1 ZINC000793057602 1078068209 /nfs/dbraw/zinc/06/82/09/1078068209.db2.gz GOMXEHUTCXSYSG-HSZRJFAPSA-N 1 2 416.566 2.701 20 0 HFADLO COc1cc(-c2noc(CCC(=O)OCCc3c[nH+]cn3C)n2)cc(Cl)c1OC ZINC000793250226 1078110332 /nfs/dbraw/zinc/11/03/32/1078110332.db2.gz GFWNPVDDUZATCF-UHFFFAOYSA-N 1 2 420.853 2.859 20 0 HFADLO CCOc1cc(C(=O)OCCc2c[nH+]cn2C)ccc1OCC(=O)N1CCCCC1 ZINC000793250306 1078110430 /nfs/dbraw/zinc/11/04/30/1078110430.db2.gz GGUWBDLLGMVWHM-UHFFFAOYSA-N 1 2 415.490 2.610 20 0 HFADLO Cc1cc(N2C[C@@H](C(=O)OCCc3c[nH+]cn3C)CC2=O)ccc1Br ZINC000793253778 1078111109 /nfs/dbraw/zinc/11/11/09/1078111109.db2.gz RDLCRODFLQNETQ-ZDUSSCGKSA-N 1 2 406.280 2.630 20 0 HFADLO C[C@@H]1OCC[C@]12CN(C(=O)NC1CC[NH+](c3ccc(N(C)C)cc3)CC1)C[C@@H](C)O2 ZINC000790759718 1078112730 /nfs/dbraw/zinc/11/27/30/1078112730.db2.gz HDJVTLIGVQVYPV-STSQHVNTSA-N 1 2 416.566 2.699 20 0 HFADLO C[C@H](NS(=O)(=O)c1cccc(C(=O)OCCc2c[nH+]cn2C)c1)c1ccccc1 ZINC000793238498 1078117424 /nfs/dbraw/zinc/11/74/24/1078117424.db2.gz ORSFAMWWYAHHNP-INIZCTEOSA-N 1 2 413.499 2.859 20 0 HFADLO O=C(NC[C@H]1CCC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1)OCc1ccccc1 ZINC000793297465 1078121605 /nfs/dbraw/zinc/12/16/05/1078121605.db2.gz IHTAYLVGTRPRIT-OAQYLSRUSA-N 1 2 420.517 2.860 20 0 HFADLO O=C(NC[C@H]1CCC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1)OCc1ccccc1 ZINC000793297465 1078121612 /nfs/dbraw/zinc/12/16/12/1078121612.db2.gz IHTAYLVGTRPRIT-OAQYLSRUSA-N 1 2 420.517 2.860 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000793416411 1078177138 /nfs/dbraw/zinc/17/71/38/1078177138.db2.gz LPNCUJIBPSLPEC-VAMGGRTRSA-N 1 2 419.485 2.639 20 0 HFADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCN(C)C(=O)OCc2ccccc2)CC1 ZINC000793511059 1078194881 /nfs/dbraw/zinc/19/48/81/1078194881.db2.gz AERXHABBSLGBMC-LJQANCHMSA-N 1 2 410.518 2.946 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000793647497 1078241015 /nfs/dbraw/zinc/24/10/15/1078241015.db2.gz AXOLQJVGNMECOR-SCTDSRPQSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000793647497 1078241021 /nfs/dbraw/zinc/24/10/21/1078241021.db2.gz AXOLQJVGNMECOR-SCTDSRPQSA-N 1 2 409.571 2.782 20 0 HFADLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)NCc2ccc([C@@H](C)O)cc2)c(C)c1 ZINC000793650565 1078242000 /nfs/dbraw/zinc/24/20/00/1078242000.db2.gz LESLUEZAYNNPFJ-GCJKJVERSA-N 1 2 420.513 2.727 20 0 HFADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)c2ccc(Cl)cc2)C1 ZINC000793674508 1078250352 /nfs/dbraw/zinc/25/03/52/1078250352.db2.gz KASNVCJGLBQTGX-HNNXBMFYSA-N 1 2 402.926 2.874 20 0 HFADLO O=C(NCc1ccn2cc[nH+]c2c1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793668310 1078245775 /nfs/dbraw/zinc/24/57/75/1078245775.db2.gz FQPAEZVLCKGURZ-OALUTQOASA-N 1 2 415.453 2.542 20 0 HFADLO CC(C)C1(C(C)C)NC(=O)N(C[N@@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793724480 1078266437 /nfs/dbraw/zinc/26/64/37/1078266437.db2.gz UEQBAMZXLSYJQU-IAGOWNOFSA-N 1 2 422.570 2.878 20 0 HFADLO CC(C)C1(C(C)C)NC(=O)N(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O ZINC000793724480 1078266441 /nfs/dbraw/zinc/26/64/41/1078266441.db2.gz UEQBAMZXLSYJQU-IAGOWNOFSA-N 1 2 422.570 2.878 20 0 HFADLO Cc1ccc(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)c(N(C)C)[nH+]1 ZINC000793728661 1078273486 /nfs/dbraw/zinc/27/34/86/1078273486.db2.gz JKLBHOSQXVZJEF-HDICACEKSA-N 1 2 419.485 2.986 20 0 HFADLO CN(CCCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000793842480 1078312101 /nfs/dbraw/zinc/31/21/01/1078312101.db2.gz GJKLMVIVVWCBIS-UHFFFAOYSA-N 1 2 405.502 2.521 20 0 HFADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000793860165 1078325796 /nfs/dbraw/zinc/32/57/96/1078325796.db2.gz IJJODYDPWXJDQZ-UHFFFAOYSA-N 1 2 415.534 2.768 20 0 HFADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000793860165 1078325799 /nfs/dbraw/zinc/32/57/99/1078325799.db2.gz IJJODYDPWXJDQZ-UHFFFAOYSA-N 1 2 415.534 2.768 20 0 HFADLO COCC1(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793972338 1078349737 /nfs/dbraw/zinc/34/97/37/1078349737.db2.gz RYGANIMEAUZKAA-QGZVFWFLSA-N 1 2 420.554 2.790 20 0 HFADLO O=C(COc1ccc2c(c1)CCC2)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000793981659 1078363274 /nfs/dbraw/zinc/36/32/74/1078363274.db2.gz SCHUYCFHASKNSI-UHFFFAOYSA-N 1 2 414.527 2.503 20 0 HFADLO CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)c1=O ZINC000794207689 1078383663 /nfs/dbraw/zinc/38/36/63/1078383663.db2.gz QYTFSYLCZISOPR-UHFFFAOYSA-N 1 2 403.442 2.520 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C ZINC000804438923 1078484205 /nfs/dbraw/zinc/48/42/05/1078484205.db2.gz BNBOJQPRCAEAID-KURKYZTESA-N 1 2 409.571 2.734 20 0 HFADLO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804438206 1078483154 /nfs/dbraw/zinc/48/31/54/1078483154.db2.gz LKVMTPXNWSMEGQ-MAUKXSAKSA-N 1 2 402.926 2.828 20 0 HFADLO Cc1cc(C)c(CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c[nH+]1 ZINC001129841668 1078527377 /nfs/dbraw/zinc/52/73/77/1078527377.db2.gz JMHBEEJYKGCQLP-UHFFFAOYSA-N 1 2 416.275 2.763 20 0 HFADLO C[C@@H]1CC[C@H](CNC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)O1 ZINC001129519848 1078531151 /nfs/dbraw/zinc/53/11/51/1078531151.db2.gz LUXFWXQLMYBJML-IEBWSBKVSA-N 1 2 405.539 2.697 20 0 HFADLO C[C@@H]1CC[C@H](CNC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)O1 ZINC001129519848 1078531159 /nfs/dbraw/zinc/53/11/59/1078531159.db2.gz LUXFWXQLMYBJML-IEBWSBKVSA-N 1 2 405.539 2.697 20 0 HFADLO CC(C)(C[NH+]1CCOCC1)NC(=O)CSCc1ccc(Br)cc1 ZINC001129857191 1078537287 /nfs/dbraw/zinc/53/72/87/1078537287.db2.gz LOOBESZRHWKQGJ-UHFFFAOYSA-N 1 2 401.370 2.909 20 0 HFADLO Cc1ccccc1[C@@H](O)C1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000804514534 1078556311 /nfs/dbraw/zinc/55/63/11/1078556311.db2.gz KRSTUGOSEINPQQ-QHCPKHFHSA-N 1 2 410.562 2.913 20 0 HFADLO CN(C[C@@H]1C[C@H](F)CN1c1nc(NCCO)c2ccccc2[nH+]1)C(=O)OC(C)(C)C ZINC000804704013 1078570999 /nfs/dbraw/zinc/57/09/99/1078570999.db2.gz AZADQSXYQMXGGH-GJZGRUSLSA-N 1 2 419.501 2.818 20 0 HFADLO Cn1ccc2c1cccc2C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761075 1078612021 /nfs/dbraw/zinc/61/20/21/1078612021.db2.gz VJUYSWSQFJCWCT-KRWDZBQOSA-N 1 2 412.534 2.946 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)/C=C/c3ccnc(Cl)c3)C2)CC1 ZINC000804760948 1078612529 /nfs/dbraw/zinc/61/25/29/1078612529.db2.gz RZAVHCGWUQTSRJ-BDUNBXCCSA-N 1 2 420.941 2.902 20 0 HFADLO CSCC[C@H](C(=O)NCc1c[nH+]c(C)cc1C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001129715429 1078670072 /nfs/dbraw/zinc/67/00/72/1078670072.db2.gz WLGNRYJTCPIYJN-KZNAEPCWSA-N 1 2 403.548 2.612 20 0 HFADLO COc1cccc2ncnc(N3CC[C@H]([NH+]4CCN(C(=O)OC(C)(C)C)CC4)C3)c21 ZINC000804835166 1078677726 /nfs/dbraw/zinc/67/77/26/1078677726.db2.gz QEILPLZJUZPYPI-INIZCTEOSA-N 1 2 413.522 2.770 20 0 HFADLO Cc1cc(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1F ZINC000804866115 1078690946 /nfs/dbraw/zinc/69/09/46/1078690946.db2.gz SIFMLXHSNXRCKH-GOSISDBHSA-N 1 2 420.529 2.971 20 0 HFADLO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000804869690 1078693058 /nfs/dbraw/zinc/69/30/58/1078693058.db2.gz ZQWMXYJFGDGXFP-UHFFFAOYSA-N 1 2 406.476 2.932 20 0 HFADLO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000804869690 1078693062 /nfs/dbraw/zinc/69/30/62/1078693062.db2.gz ZQWMXYJFGDGXFP-UHFFFAOYSA-N 1 2 406.476 2.932 20 0 HFADLO Cc1cccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)c1S(C)(=O)=O ZINC001129760635 1078704496 /nfs/dbraw/zinc/70/44/96/1078704496.db2.gz ZYWSURCEPUZWQJ-UHFFFAOYSA-N 1 2 415.559 2.939 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000804969976 1078806548 /nfs/dbraw/zinc/80/65/48/1078806548.db2.gz OOTVRKZHACTBDR-SIKLNZKXSA-N 1 2 400.567 2.724 20 0 HFADLO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)NCc2[nH+]cc(C)c(OC)c2C)s1 ZINC000805028624 1078840411 /nfs/dbraw/zinc/84/04/11/1078840411.db2.gz AMSKCCIFZBUWJW-AAEUAGOBSA-N 1 2 420.539 2.583 20 0 HFADLO CCc1nc(CNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cs1 ZINC000805087945 1078916209 /nfs/dbraw/zinc/91/62/09/1078916209.db2.gz RIFPOWSJIAMYOW-MRXNPFEDSA-N 1 2 423.583 2.542 20 0 HFADLO CCc1cnc(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC000805160792 1078951759 /nfs/dbraw/zinc/95/17/59/1078951759.db2.gz DUWBXVLGQXZTBJ-HNNXBMFYSA-N 1 2 423.583 2.542 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)COCc3ccccn3)cc2Br)CC1 ZINC000805201368 1078953564 /nfs/dbraw/zinc/95/35/64/1078953564.db2.gz UFWHFHXLCFAZGB-UHFFFAOYSA-N 1 2 419.323 2.751 20 0 HFADLO O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000805226636 1078972751 /nfs/dbraw/zinc/97/27/51/1078972751.db2.gz IOOJFGMWSONERH-RBUKOAKNSA-N 1 2 415.538 2.893 20 0 HFADLO CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000805199854 1078971983 /nfs/dbraw/zinc/97/19/83/1078971983.db2.gz GQHWGHQHERZFIQ-KSZLIROESA-N 1 2 412.575 2.575 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000805476924 1079092265 /nfs/dbraw/zinc/09/22/65/1079092265.db2.gz AXLMYFSAHIHYHN-HZMBPMFUSA-N 1 2 408.804 2.950 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000805476924 1079092268 /nfs/dbraw/zinc/09/22/68/1079092268.db2.gz AXLMYFSAHIHYHN-HZMBPMFUSA-N 1 2 408.804 2.950 20 0 HFADLO O=S(=O)(/C=C\c1ccc(F)cc1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000747251708 1079127849 /nfs/dbraw/zinc/12/78/49/1079127849.db2.gz AQDJTJXMIQSNNB-NVNXTCNLSA-N 1 2 420.506 2.627 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000805776596 1079248367 /nfs/dbraw/zinc/24/83/67/1079248367.db2.gz RRKOMLZUJQECIA-IBGZPJMESA-N 1 2 416.522 2.508 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000805776596 1079248369 /nfs/dbraw/zinc/24/83/69/1079248369.db2.gz RRKOMLZUJQECIA-IBGZPJMESA-N 1 2 416.522 2.508 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)ccc1F ZINC000747268486 1079252126 /nfs/dbraw/zinc/25/21/26/1079252126.db2.gz LJDZVWPQYOAWMK-UHFFFAOYSA-N 1 2 421.494 2.866 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cc(Cl)ccc1OC ZINC000805762730 1079263567 /nfs/dbraw/zinc/26/35/67/1079263567.db2.gz SRGIXHNFQPDVFJ-KRWDZBQOSA-N 1 2 411.930 2.908 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCc1cc(Cl)ccc1OC ZINC000805762730 1079263570 /nfs/dbraw/zinc/26/35/70/1079263570.db2.gz SRGIXHNFQPDVFJ-KRWDZBQOSA-N 1 2 411.930 2.908 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCC3(C(F)(F)F)CC3)C2)CC1 ZINC000805812058 1079286893 /nfs/dbraw/zinc/28/68/93/1079286893.db2.gz YMLGOVWSWZRQHG-AWEZNQCLSA-N 1 2 420.476 2.666 20 0 HFADLO CCOC(=O)CC[N@@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805829671 1079298940 /nfs/dbraw/zinc/29/89/40/1079298940.db2.gz PUBNCACOQVRSAT-YOEHRIQHSA-N 1 2 402.413 2.832 20 0 HFADLO CCOC(=O)CC[N@H+]1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805829671 1079298942 /nfs/dbraw/zinc/29/89/42/1079298942.db2.gz PUBNCACOQVRSAT-YOEHRIQHSA-N 1 2 402.413 2.832 20 0 HFADLO Cc1ccc(O[C@@H](C)C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000806163013 1079472605 /nfs/dbraw/zinc/47/26/05/1079472605.db2.gz AEWIJQRDSZSGIV-KRWDZBQOSA-N 1 2 402.516 2.711 20 0 HFADLO COCc1cccc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000806189165 1079479973 /nfs/dbraw/zinc/47/99/73/1079479973.db2.gz MJQMLDLHCFNAAM-IBGZPJMESA-N 1 2 418.538 2.992 20 0 HFADLO COCc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806203354 1079491334 /nfs/dbraw/zinc/49/13/34/1079491334.db2.gz WICGKSFKESLVFA-GOSISDBHSA-N 1 2 418.538 2.992 20 0 HFADLO COC(=O)CCc1cccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000787331653 1076744103 /nfs/dbraw/zinc/74/41/03/1076744103.db2.gz XNCUIBBRRRRSGA-UHFFFAOYSA-N 1 2 419.522 2.720 20 0 HFADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)Cc2cc3ccccc3o2)C1=O ZINC000746676563 1076751518 /nfs/dbraw/zinc/75/15/18/1076751518.db2.gz LHPGFXURDVFOJE-QHCPKHFHSA-N 1 2 420.469 2.753 20 0 HFADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)Cc2cc3ccccc3o2)C1=O ZINC000746676563 1076751526 /nfs/dbraw/zinc/75/15/26/1076751526.db2.gz LHPGFXURDVFOJE-QHCPKHFHSA-N 1 2 420.469 2.753 20 0 HFADLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787387420 1076804647 /nfs/dbraw/zinc/80/46/47/1076804647.db2.gz YSTSVQMSFNPXEC-MAUKXSAKSA-N 1 2 405.543 2.546 20 0 HFADLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787387420 1076804652 /nfs/dbraw/zinc/80/46/52/1076804652.db2.gz YSTSVQMSFNPXEC-MAUKXSAKSA-N 1 2 405.543 2.546 20 0 HFADLO CCc1c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)nnn1Cc1ccc(F)cc1 ZINC000787397543 1076807061 /nfs/dbraw/zinc/80/70/61/1076807061.db2.gz VGJKODTZVNGNBR-UHFFFAOYSA-N 1 2 409.456 2.829 20 0 HFADLO CCc1c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)nnn1Cc1ccc(F)cc1 ZINC000787397543 1076807067 /nfs/dbraw/zinc/80/70/67/1076807067.db2.gz VGJKODTZVNGNBR-UHFFFAOYSA-N 1 2 409.456 2.829 20 0 HFADLO CC(C)N(C)c1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1F ZINC000787403240 1076809233 /nfs/dbraw/zinc/80/92/33/1076809233.db2.gz OOARUEIHGUUROL-UHFFFAOYSA-N 1 2 404.490 2.843 20 0 HFADLO CCN(CCC[NH+](C)C)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000787535644 1076852144 /nfs/dbraw/zinc/85/21/44/1076852144.db2.gz HMZCJWNVGNWQEG-UHFFFAOYSA-N 1 2 414.531 2.740 20 0 HFADLO Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)OCc3cc[nH+]c(N)c3)CC2)c(C)c1 ZINC000787565001 1076866004 /nfs/dbraw/zinc/86/60/04/1076866004.db2.gz SOYWHJFWNULAEG-UHFFFAOYSA-N 1 2 417.531 2.733 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000787880360 1076974371 /nfs/dbraw/zinc/97/43/71/1076974371.db2.gz XZZCFZDHEIBLPP-HNNXBMFYSA-N 1 2 424.501 2.549 20 0 HFADLO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(OC(F)F)cc1 ZINC000787855079 1076981696 /nfs/dbraw/zinc/98/16/96/1076981696.db2.gz MZPWPLXDUXTXBW-UKRRQHHQSA-N 1 2 406.433 2.605 20 0 HFADLO Cc1ccc(NC(=O)C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)c(N(C)C)[nH+]1 ZINC000787932767 1077002219 /nfs/dbraw/zinc/00/22/19/1077002219.db2.gz UDSFMZWNDQOQSE-UHFFFAOYSA-N 1 2 424.423 2.951 20 0 HFADLO CCC(CC)[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2COC)[NH+]1CCOCC1 ZINC000787942584 1077018740 /nfs/dbraw/zinc/01/87/40/1077018740.db2.gz UJCHKAKEWCVAST-NRFANRHFSA-N 1 2 403.523 2.645 20 0 HFADLO COc1ccc(CNC(=O)C[N@@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000787998125 1077023497 /nfs/dbraw/zinc/02/34/97/1077023497.db2.gz WMOVQUOVIUGCHL-JOCHJYFZSA-N 1 2 403.523 2.787 20 0 HFADLO COc1ccc(CNC(=O)C[N@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000787998125 1077023503 /nfs/dbraw/zinc/02/35/03/1077023503.db2.gz WMOVQUOVIUGCHL-JOCHJYFZSA-N 1 2 403.523 2.787 20 0 HFADLO Cc1cccnc1OC1CC[NH+](C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000788004605 1077026033 /nfs/dbraw/zinc/02/60/33/1077026033.db2.gz RETHIHLPCAJDFP-OAQYLSRUSA-N 1 2 404.532 2.544 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)CC[C@@]3(C)CCC(=O)N3)cc2Br)CC1 ZINC000788019222 1077030536 /nfs/dbraw/zinc/03/05/36/1077030536.db2.gz RCJYKQWATJJJBD-IBGZPJMESA-N 1 2 423.355 2.588 20 0 HFADLO COC(=O)N1CCN(c2cc[nH+]cc2NS(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000788205517 1077079014 /nfs/dbraw/zinc/07/90/14/1077079014.db2.gz NOVWNHASSFXIPG-UHFFFAOYSA-N 1 2 424.910 2.565 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000788329295 1077103730 /nfs/dbraw/zinc/10/37/30/1077103730.db2.gz VXXPEQIQPUWZLD-UHFFFAOYSA-N 1 2 420.860 2.966 20 0 HFADLO Nc1cccc2c1C(=O)N(C[NH+]1CCC(COc3ccc(Cl)nc3)CC1)C2=O ZINC000788371898 1077131145 /nfs/dbraw/zinc/13/11/45/1077131145.db2.gz GQWFMXBCJJYLKQ-UHFFFAOYSA-N 1 2 400.866 2.662 20 0 HFADLO NC(=NOCc1ncc(Br)s1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000788503646 1077184156 /nfs/dbraw/zinc/18/41/56/1077184156.db2.gz WNARCHQXICTIOK-UHFFFAOYSA-N 1 2 411.325 2.785 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c(C)c1Cl ZINC000788582922 1077212326 /nfs/dbraw/zinc/21/23/26/1077212326.db2.gz PBSHDXMHRVVPNR-JTQLQIEISA-N 1 2 406.913 2.671 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)c(C)c1Cl ZINC000788582923 1077212670 /nfs/dbraw/zinc/21/26/70/1077212670.db2.gz PBSHDXMHRVVPNR-SNVBAGLBSA-N 1 2 406.913 2.671 20 0 HFADLO O=C(c1cncc(Cl)n1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000788643257 1077244503 /nfs/dbraw/zinc/24/45/03/1077244503.db2.gz RCWXQJBUSAKZJF-UHFFFAOYSA-N 1 2 418.910 2.632 20 0 HFADLO CO[C@@H]1CCOc2c(NC(=O)C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cccc21 ZINC000790912536 1077246356 /nfs/dbraw/zinc/24/63/56/1077246356.db2.gz UUOFUZSDFDAJHS-SJORKVTESA-N 1 2 400.479 2.523 20 0 HFADLO CCN(C(=O)c1ccc(F)c(S(C)(=O)=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000790951681 1077252837 /nfs/dbraw/zinc/25/28/37/1077252837.db2.gz JVJSSVKJSJAORL-GOSISDBHSA-N 1 2 404.507 2.966 20 0 HFADLO CCN(C(=O)c1ccc(F)c(S(C)(=O)=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790951681 1077252840 /nfs/dbraw/zinc/25/28/40/1077252840.db2.gz JVJSSVKJSJAORL-GOSISDBHSA-N 1 2 404.507 2.966 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N[C@@H](C)c3cccc(NS(C)(=O)=O)c3)[nH+]c12 ZINC000746758937 1077270001 /nfs/dbraw/zinc/27/00/01/1077270001.db2.gz YLYNWSWEJZDEEX-HNNXBMFYSA-N 1 2 415.519 2.617 20 0 HFADLO CN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788755070 1077277543 /nfs/dbraw/zinc/27/75/43/1077277543.db2.gz ZIORFIIVVHCVJX-OAQYLSRUSA-N 1 2 421.476 2.954 20 0 HFADLO CN(C[C@@H]1CCC[N@@H+]1CN1C(=O)C[C@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000788770997 1077284079 /nfs/dbraw/zinc/28/40/79/1077284079.db2.gz OXQYIURXNUKJBZ-OALUTQOASA-N 1 2 415.534 2.893 20 0 HFADLO CN(C[C@@H]1CCC[N@H+]1CN1C(=O)C[C@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000788770997 1077284084 /nfs/dbraw/zinc/28/40/84/1077284084.db2.gz OXQYIURXNUKJBZ-OALUTQOASA-N 1 2 415.534 2.893 20 0 HFADLO CCO[C@@H]1C[C@](O)(CNC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1(C)C ZINC000788801276 1077292282 /nfs/dbraw/zinc/29/22/82/1077292282.db2.gz PIHNKBCFRPTZIH-OFNKIYASSA-N 1 2 418.582 2.587 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N(C)[C@H]3CCN(Cc4ccccc4)C3=O)[nH+]c12 ZINC000788805285 1077293321 /nfs/dbraw/zinc/29/33/21/1077293321.db2.gz YSHODUBNUKHPBI-FQEVSTJZSA-N 1 2 405.502 2.628 20 0 HFADLO O=C(NC1CC[NH+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1)c1ccc(F)cc1 ZINC000788773117 1077296437 /nfs/dbraw/zinc/29/64/37/1077296437.db2.gz VABSPPRNNBTXHV-IBGZPJMESA-N 1 2 423.488 2.595 20 0 HFADLO O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788836483 1077315266 /nfs/dbraw/zinc/31/52/66/1077315266.db2.gz DJZXDLIJQXYBPE-UHFFFAOYSA-N 1 2 421.476 2.924 20 0 HFADLO Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000788845766 1077318290 /nfs/dbraw/zinc/31/82/90/1077318290.db2.gz DMHMABMYHBROCG-XJKSGUPXSA-N 1 2 404.312 2.776 20 0 HFADLO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000788845766 1077318297 /nfs/dbraw/zinc/31/82/97/1077318297.db2.gz DMHMABMYHBROCG-XJKSGUPXSA-N 1 2 404.312 2.776 20 0 HFADLO O=C(C[N@H+]1CCCN(C(=O)c2cc3ccccc3c(Cl)n2)CC1)N1CCCC1 ZINC000772772183 1077352177 /nfs/dbraw/zinc/35/21/77/1077352177.db2.gz WQWANZJUWIHMJE-UHFFFAOYSA-N 1 2 400.910 2.659 20 0 HFADLO O=C(C[N@@H+]1CCCN(C(=O)c2cc3ccccc3c(Cl)n2)CC1)N1CCCC1 ZINC000772772183 1077352184 /nfs/dbraw/zinc/35/21/84/1077352184.db2.gz WQWANZJUWIHMJE-UHFFFAOYSA-N 1 2 400.910 2.659 20 0 HFADLO O=C(CNC(=O)OCC(F)(F)F)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791272072 1077355617 /nfs/dbraw/zinc/35/56/17/1077355617.db2.gz ABVWKQHSTGDVJZ-GFCCVEGCSA-N 1 2 402.417 2.719 20 0 HFADLO O=C(CNC(=O)OCC(F)(F)F)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791272072 1077355622 /nfs/dbraw/zinc/35/56/22/1077355622.db2.gz ABVWKQHSTGDVJZ-GFCCVEGCSA-N 1 2 402.417 2.719 20 0 HFADLO CC(C)(C)OC(=O)N1CCC(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000788948950 1077358733 /nfs/dbraw/zinc/35/87/33/1077358733.db2.gz DUUSYQQVAQNGFP-GOSISDBHSA-N 1 2 404.511 2.891 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CC[C@H](CNC(=O)OC(C)(C)C)C3)[nH+]c12 ZINC000746776464 1077366677 /nfs/dbraw/zinc/36/66/77/1077366677.db2.gz UBDZTZKWJPDRDA-MRXNPFEDSA-N 1 2 401.511 2.741 20 0 HFADLO C[C@H](NC(=O)N1CCC(COc2ccc(Cl)nc2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000788973747 1077366855 /nfs/dbraw/zinc/36/68/55/1077366855.db2.gz GQTOCJUTUNSJEF-HOTGVXAUSA-N 1 2 410.946 2.645 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000791380847 1077388038 /nfs/dbraw/zinc/38/80/38/1077388038.db2.gz DBVLQNVQBKLMIQ-UHFFFAOYSA-N 1 2 405.501 2.850 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000791362845 1077393949 /nfs/dbraw/zinc/39/39/49/1077393949.db2.gz DBNDLKJQHKBMSU-NHCUHLMSSA-N 1 2 423.444 2.639 20 0 HFADLO Nc1cc(COC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)cc[nH+]1 ZINC000791474176 1077445432 /nfs/dbraw/zinc/44/54/32/1077445432.db2.gz XZHBPFKVEMLUCC-UHFFFAOYSA-N 1 2 408.439 2.582 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)C2)c1 ZINC000791526710 1077455048 /nfs/dbraw/zinc/45/50/48/1077455048.db2.gz ZSPBLFUWIQTBCD-NRFANRHFSA-N 1 2 424.501 2.899 20 0 HFADLO Fc1ccc(CCNC(=S)NCc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000789207122 1077462732 /nfs/dbraw/zinc/46/27/32/1077462732.db2.gz DBQYHYVINHEKSW-UHFFFAOYSA-N 1 2 417.550 2.744 20 0 HFADLO CCOC(=O)N1CCC(NC(=O)C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000791632920 1077520439 /nfs/dbraw/zinc/52/04/39/1077520439.db2.gz HQTNTHJCVPPSIP-QFIPXVFZSA-N 1 2 410.518 2.806 20 0 HFADLO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000789330338 1077523783 /nfs/dbraw/zinc/52/37/83/1077523783.db2.gz CVDXAKKOSHHYPH-JTQLQIEISA-N 1 2 409.399 2.752 20 0 HFADLO C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000789330338 1077523785 /nfs/dbraw/zinc/52/37/85/1077523785.db2.gz CVDXAKKOSHHYPH-JTQLQIEISA-N 1 2 409.399 2.752 20 0 HFADLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789373898 1077544187 /nfs/dbraw/zinc/54/41/87/1077544187.db2.gz HPYMYEHZZODTIB-VQIMIIECSA-N 1 2 407.580 2.811 20 0 HFADLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789373898 1077544191 /nfs/dbraw/zinc/54/41/91/1077544191.db2.gz HPYMYEHZZODTIB-VQIMIIECSA-N 1 2 407.580 2.811 20 0 HFADLO CCCC(=O)NC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789422584 1077552893 /nfs/dbraw/zinc/55/28/93/1077552893.db2.gz DEPKGZUHIOYWGB-JTSKRJEESA-N 1 2 406.571 2.709 20 0 HFADLO CCCC(=O)NC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)C1 ZINC000789422584 1077552897 /nfs/dbraw/zinc/55/28/97/1077552897.db2.gz DEPKGZUHIOYWGB-JTSKRJEESA-N 1 2 406.571 2.709 20 0 HFADLO CCNC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000789402306 1077560837 /nfs/dbraw/zinc/56/08/37/1077560837.db2.gz HGGXFCHAQVDCDY-UHFFFAOYSA-N 1 2 420.473 2.577 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)C1=O ZINC000789440025 1077572943 /nfs/dbraw/zinc/57/29/43/1077572943.db2.gz FRRVRRAWSAIOIS-VGOFRKELSA-N 1 2 407.555 2.598 20 0 HFADLO CC(C)(C(=O)OCc1cc[nH+]c(N)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000791827663 1077575806 /nfs/dbraw/zinc/57/58/06/1077575806.db2.gz UTIBDNXDVYZBBO-UHFFFAOYSA-N 1 2 413.293 2.722 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+]3C[C@H](C)C[C@@H](C)[C@@H]3C)nc(=O)c2c1C ZINC000789449701 1077579104 /nfs/dbraw/zinc/57/91/04/1077579104.db2.gz IYQZWQCWZJIMRM-BZPMIXESSA-N 1 2 407.536 2.963 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@H+]3C[C@H](C)C[C@@H](C)[C@@H]3C)nc(=O)c2c1C ZINC000789449701 1077579110 /nfs/dbraw/zinc/57/91/10/1077579110.db2.gz IYQZWQCWZJIMRM-BZPMIXESSA-N 1 2 407.536 2.963 20 0 HFADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(N4CCCC4)c(F)c3)[nH+]c12 ZINC000746814895 1077581575 /nfs/dbraw/zinc/58/15/75/1077581575.db2.gz WLVXPXUMTSBSSD-UHFFFAOYSA-N 1 2 409.465 2.679 20 0 HFADLO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000789518898 1077612533 /nfs/dbraw/zinc/61/25/33/1077612533.db2.gz HRGUJYRUNAPPHG-LLVKDONJSA-N 1 2 414.275 2.834 20 0 HFADLO CCNC(=O)C[C@H]1CCCC[N@H+]1Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000789518898 1077612535 /nfs/dbraw/zinc/61/25/35/1077612535.db2.gz HRGUJYRUNAPPHG-LLVKDONJSA-N 1 2 414.275 2.834 20 0 HFADLO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521373 1077617319 /nfs/dbraw/zinc/61/73/19/1077617319.db2.gz MTOGXPPXUHLXJN-FDDCHVKYSA-N 1 2 418.541 2.948 20 0 HFADLO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789521373 1077617320 /nfs/dbraw/zinc/61/73/20/1077617320.db2.gz MTOGXPPXUHLXJN-FDDCHVKYSA-N 1 2 418.541 2.948 20 0 HFADLO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792015919 1077651760 /nfs/dbraw/zinc/65/17/60/1077651760.db2.gz KAZNTAGIDLWJPR-LLVKDONJSA-N 1 2 413.293 2.580 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccn(Cc3ccccc3)n2)CC1 ZINC000792063981 1077672127 /nfs/dbraw/zinc/67/21/27/1077672127.db2.gz QJNVVPGPACYJJY-UHFFFAOYSA-N 1 2 413.522 2.813 20 0 HFADLO Cc1ccc(-c2csc(NC(=O)C(=O)Nc3nc(Cl)cc(NN)[nH+]3)n2)cc1C ZINC000789599294 1077703240 /nfs/dbraw/zinc/70/32/40/1077703240.db2.gz NNQKOIZTCWOFNO-UHFFFAOYSA-N 1 2 417.882 2.733 20 0 HFADLO CC1(C)CC(C)(C)c2cc(NC(=O)C(=O)Nc3nc(Cl)cc(NN)[nH+]3)ccc21 ZINC000789599431 1077703638 /nfs/dbraw/zinc/70/36/38/1077703638.db2.gz GXZSGFWFVFFPFO-UHFFFAOYSA-N 1 2 402.886 2.952 20 0 HFADLO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000789731393 1077742172 /nfs/dbraw/zinc/74/21/72/1077742172.db2.gz BDPZSDZETAPEGN-SFHVURJKSA-N 1 2 401.507 2.714 20 0 HFADLO Cc1nc(CC(C)C)oc1C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000789736473 1077743236 /nfs/dbraw/zinc/74/32/36/1077743236.db2.gz CWNXTPPXOIYSKA-UHFFFAOYSA-N 1 2 408.543 2.854 20 0 HFADLO O=C(Nc1cnn(-c2ccccc2Cl)c1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789796421 1077801964 /nfs/dbraw/zinc/80/19/64/1077801964.db2.gz QENWMRLNIUOGCM-MRXNPFEDSA-N 1 2 411.849 2.539 20 0 HFADLO COc1cc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(OC)c1C(C)C ZINC000789795811 1077802155 /nfs/dbraw/zinc/80/21/55/1077802155.db2.gz JKXQLTQVLZABRO-QGZVFWFLSA-N 1 2 413.474 2.841 20 0 HFADLO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)Nc1cccc(N2CCCC2=O)c1 ZINC000792387212 1077830613 /nfs/dbraw/zinc/83/06/13/1077830613.db2.gz ANEACNRBPHVIOZ-UHFFFAOYSA-N 1 2 412.465 2.829 20 0 HFADLO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000792388702 1077831220 /nfs/dbraw/zinc/83/12/20/1077831220.db2.gz MFEKLYMCXVFQBY-UHFFFAOYSA-N 1 2 412.465 2.595 20 0 HFADLO COCC[N@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@@H]1CC[C@H](C)C1 ZINC000792465147 1077859146 /nfs/dbraw/zinc/85/91/46/1077859146.db2.gz KHZJFUUPGTXSEU-UONOGXRCSA-N 1 2 404.479 2.758 20 0 HFADLO COCC[N@@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@@H]1CC[C@H](C)C1 ZINC000792465147 1077859152 /nfs/dbraw/zinc/85/91/52/1077859152.db2.gz KHZJFUUPGTXSEU-UONOGXRCSA-N 1 2 404.479 2.758 20 0 HFADLO CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH]c1=S ZINC000792496170 1077866870 /nfs/dbraw/zinc/86/68/70/1077866870.db2.gz RTKIKTQTTHEOKF-KRWDZBQOSA-N 1 2 422.554 2.957 20 0 HFADLO CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH]c1=S ZINC000792496170 1077866872 /nfs/dbraw/zinc/86/68/72/1077866872.db2.gz RTKIKTQTTHEOKF-KRWDZBQOSA-N 1 2 422.554 2.957 20 0 HFADLO Cn1c(SCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nnc1-c1ccccn1 ZINC000789955809 1077868394 /nfs/dbraw/zinc/86/83/94/1077868394.db2.gz RHQPFGLANUVWLR-UHFFFAOYSA-N 1 2 404.540 2.522 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000789967032 1077874617 /nfs/dbraw/zinc/87/46/17/1077874617.db2.gz TZEIESSUQVWPNI-KDURUIRLSA-N 1 2 419.485 2.708 20 0 HFADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2nc(Br)cs2)CC1 ZINC000792525341 1077886962 /nfs/dbraw/zinc/88/69/62/1077886962.db2.gz YLGDDSRQIUCAHU-UHFFFAOYSA-N 1 2 409.309 2.546 20 0 HFADLO C[C@H]1CCN(C(=O)C(=O)NCCc2ccc(N3CCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000790032166 1077904291 /nfs/dbraw/zinc/90/42/91/1077904291.db2.gz JYEVYXGLLHHWDS-UGKGYDQZSA-N 1 2 423.561 2.642 20 0 HFADLO COC(=O)Cc1ccc(NC[C@@H]2C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O2)[nH+]c1 ZINC001170208216 1077907257 /nfs/dbraw/zinc/90/72/57/1077907257.db2.gz GFPGXMBHXLLRFM-CVEARBPZSA-N 1 2 408.495 2.851 20 0 HFADLO COc1cccc(OCC[NH+]2CCN(C(=O)C[C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000772802264 1077909018 /nfs/dbraw/zinc/90/90/18/1077909018.db2.gz BJABEFKYQLQQMR-OAQYLSRUSA-N 1 2 418.921 2.995 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@](C(=O)N2CCc3cc[nH+]c(N)c3C2)(C(F)(F)F)C1 ZINC001170269547 1077923546 /nfs/dbraw/zinc/92/35/46/1077923546.db2.gz YBMIGPZIWCUCDF-SFHVURJKSA-N 1 2 414.428 2.738 20 0 HFADLO CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)N2CCc3cc[nH+]c(N)c3C2)C1 ZINC001170269522 1077923604 /nfs/dbraw/zinc/92/36/04/1077923604.db2.gz XNEAEECCPYOHHU-KRWDZBQOSA-N 1 2 400.523 2.976 20 0 HFADLO C[C@H](c1ccsc1)N1CC[NH+](CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000790081735 1077925576 /nfs/dbraw/zinc/92/55/76/1077925576.db2.gz KTIYWMHDSZPJCY-GOSISDBHSA-N 1 2 408.612 2.979 20 0 HFADLO C[C@H](c1ccsc1)[NH+]1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000790081735 1077925581 /nfs/dbraw/zinc/92/55/81/1077925581.db2.gz KTIYWMHDSZPJCY-GOSISDBHSA-N 1 2 408.612 2.979 20 0 HFADLO C[C@]1(c2ccccc2)CCN(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1=O ZINC000780429222 1077927494 /nfs/dbraw/zinc/92/74/94/1077927494.db2.gz YREZNXLZUJILTJ-RUZDIDTESA-N 1 2 421.541 2.723 20 0 HFADLO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001170281259 1077936853 /nfs/dbraw/zinc/93/68/53/1077936853.db2.gz ZTHRRDOHALFYBB-QWHCGFSZSA-N 1 2 403.832 2.930 20 0 HFADLO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001170281259 1077936854 /nfs/dbraw/zinc/93/68/54/1077936854.db2.gz ZTHRRDOHALFYBB-QWHCGFSZSA-N 1 2 403.832 2.930 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000790131745 1077952265 /nfs/dbraw/zinc/95/22/65/1077952265.db2.gz KGQFZTYAMXREFX-JTSKRJEESA-N 1 2 408.498 2.934 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000790131746 1077952500 /nfs/dbraw/zinc/95/25/00/1077952500.db2.gz KGQFZTYAMXREFX-VGOFRKELSA-N 1 2 408.498 2.934 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000790131822 1077952516 /nfs/dbraw/zinc/95/25/16/1077952516.db2.gz LTMSFAUIRLKHMX-INIZCTEOSA-N 1 2 403.523 2.730 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000790133757 1077952913 /nfs/dbraw/zinc/95/29/13/1077952913.db2.gz ZRFRNOMNOCPZCD-CYBMUJFWSA-N 1 2 403.401 2.590 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000790134350 1077953392 /nfs/dbraw/zinc/95/33/92/1077953392.db2.gz BPAMVZKWHDNSAQ-HKUYNNGSSA-N 1 2 405.539 2.822 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000790134362 1077953403 /nfs/dbraw/zinc/95/34/03/1077953403.db2.gz BPAMVZKWHDNSAQ-PKOBYXMFSA-N 1 2 405.539 2.822 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000790137834 1077954081 /nfs/dbraw/zinc/95/40/81/1077954081.db2.gz WYYJKRKQXIVSEZ-XLIONFOSSA-N 1 2 417.550 2.700 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC000790126634 1077959507 /nfs/dbraw/zinc/95/95/07/1077959507.db2.gz IVZPZMSCCNDKIH-XWSJACJDSA-N 1 2 409.571 2.734 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)OC(C)(C)C ZINC000790126640 1077959537 /nfs/dbraw/zinc/95/95/37/1077959537.db2.gz IVZPZMSCCNDKIH-YRXWBPOGSA-N 1 2 409.571 2.734 20 0 HFADLO CC(C)N(CCC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)C(=O)OC(C)(C)C ZINC000790159060 1077962158 /nfs/dbraw/zinc/96/21/58/1077962158.db2.gz QRFNLPDPTVBPIG-UHFFFAOYSA-N 1 2 418.538 2.504 20 0 HFADLO CC(C)N(CCC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)C(=O)OC(C)(C)C ZINC000790159060 1077962161 /nfs/dbraw/zinc/96/21/61/1077962161.db2.gz QRFNLPDPTVBPIG-UHFFFAOYSA-N 1 2 418.538 2.504 20 0 HFADLO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000790320479 1077996645 /nfs/dbraw/zinc/99/66/45/1077996645.db2.gz RSRFOIYDFHEVHC-HUUCEWRRSA-N 1 2 400.516 2.835 20 0 HFADLO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000790320479 1077996649 /nfs/dbraw/zinc/99/66/49/1077996649.db2.gz RSRFOIYDFHEVHC-HUUCEWRRSA-N 1 2 400.516 2.835 20 0 HFADLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(F)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000790311932 1078000293 /nfs/dbraw/zinc/00/02/93/1078000293.db2.gz LLQTXDOGCACOFK-PBHICJAKSA-N 1 2 400.516 2.835 20 0 HFADLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000790311932 1078000300 /nfs/dbraw/zinc/00/03/00/1078000300.db2.gz LLQTXDOGCACOFK-PBHICJAKSA-N 1 2 400.516 2.835 20 0 HFADLO Cn1c[nH+]cc1CCC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000792936066 1078029075 /nfs/dbraw/zinc/02/90/75/1078029075.db2.gz DAQWAXVNMLBOIK-MHWRWJLKSA-N 1 2 418.906 2.859 20 0 HFADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)Nc3cccc(Cl)n3)CC2)c1 ZINC000792977960 1078031244 /nfs/dbraw/zinc/03/12/44/1078031244.db2.gz ASUUDDWWYMQWRL-AWEZNQCLSA-N 1 2 402.882 2.588 20 0 HFADLO CC(C)OC(=O)NCc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000806275582 1079538754 /nfs/dbraw/zinc/53/87/54/1079538754.db2.gz LXXZAHGBTLVEMW-VQIMIIECSA-N 1 2 404.511 2.648 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3ccc(C4CC4)nn3)C2)CC1 ZINC000806352605 1079624965 /nfs/dbraw/zinc/62/49/65/1079624965.db2.gz UPBLDMBTOFLIPW-INIZCTEOSA-N 1 2 416.526 2.513 20 0 HFADLO CC(C)n1ccc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000806505923 1079756949 /nfs/dbraw/zinc/75/69/49/1079756949.db2.gz CPPOQUXXELFSPC-INIZCTEOSA-N 1 2 406.531 2.623 20 0 HFADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCC(c4ccc(F)cc4)CC3)[nH+]c12 ZINC000806538792 1079776820 /nfs/dbraw/zinc/77/68/20/1079776820.db2.gz UMMMUWYOTRTILJ-UHFFFAOYSA-N 1 2 408.477 2.847 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)c2ccc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000806532936 1079806038 /nfs/dbraw/zinc/80/60/38/1079806038.db2.gz ZJZPGSKSHZEQOS-OCBCSQNSSA-N 1 2 406.889 2.936 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)c2ccc[nH]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000806532936 1079806042 /nfs/dbraw/zinc/80/60/42/1079806042.db2.gz ZJZPGSKSHZEQOS-OCBCSQNSSA-N 1 2 406.889 2.936 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=S)NCCc3ccccc3)CC2)C1 ZINC000806608392 1079849183 /nfs/dbraw/zinc/84/91/83/1079849183.db2.gz FISGPRAYDZMNIZ-LJQANCHMSA-N 1 2 418.607 2.731 20 0 HFADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000806627262 1079884491 /nfs/dbraw/zinc/88/44/91/1079884491.db2.gz OXDDWECKPGPZEU-MRXNPFEDSA-N 1 2 417.955 2.940 20 0 HFADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000806627262 1079884505 /nfs/dbraw/zinc/88/45/05/1079884505.db2.gz OXDDWECKPGPZEU-MRXNPFEDSA-N 1 2 417.955 2.940 20 0 HFADLO Cc1csc([C@@H](C)NC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000806715401 1079941715 /nfs/dbraw/zinc/94/17/15/1079941715.db2.gz GVZXEICEENWQQU-CVEARBPZSA-N 1 2 423.583 2.849 20 0 HFADLO Cc1ccc(CCNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC000806821756 1080038520 /nfs/dbraw/zinc/03/85/20/1080038520.db2.gz YHZHUZPWEAFZPE-HXUWFJFHSA-N 1 2 416.566 2.874 20 0 HFADLO CC(C)Cn1ncc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1C1CC1 ZINC000806842011 1080055278 /nfs/dbraw/zinc/05/52/78/1080055278.db2.gz DWMKMSYDJAEXPU-KRWDZBQOSA-N 1 2 400.527 2.783 20 0 HFADLO CC[C@H](NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccncc1 ZINC000806855101 1080060245 /nfs/dbraw/zinc/06/02/45/1080060245.db2.gz YZWYRYZWZWHNLD-OALUTQOASA-N 1 2 417.554 2.869 20 0 HFADLO COC(C)(C)C[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806866874 1080068801 /nfs/dbraw/zinc/06/88/01/1080068801.db2.gz DREDFIDSUVDKOV-IAGOWNOFSA-N 1 2 412.575 2.527 20 0 HFADLO CCSCC[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806888177 1080085528 /nfs/dbraw/zinc/08/55/28/1080085528.db2.gz JZQSQDMDJPNMAR-IRXDYDNUSA-N 1 2 414.616 2.855 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000806898510 1080104939 /nfs/dbraw/zinc/10/49/39/1080104939.db2.gz GBFKUODHAVKEDM-SFHVURJKSA-N 1 2 401.511 2.838 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000806952627 1080161539 /nfs/dbraw/zinc/16/15/39/1080161539.db2.gz AFLUOQDZLJWHEU-OALUTQOASA-N 1 2 417.456 2.692 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000806952627 1080161541 /nfs/dbraw/zinc/16/15/41/1080161541.db2.gz AFLUOQDZLJWHEU-OALUTQOASA-N 1 2 417.456 2.692 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)N[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000806992122 1080172068 /nfs/dbraw/zinc/17/20/68/1080172068.db2.gz BHOKFSFXFHQQDU-HOTGVXAUSA-N 1 2 416.513 2.901 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)N[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000806980830 1080189624 /nfs/dbraw/zinc/18/96/24/1080189624.db2.gz WDMXVJJROGIOQK-GJZGRUSLSA-N 1 2 402.486 2.511 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807045909 1080202844 /nfs/dbraw/zinc/20/28/44/1080202844.db2.gz JGOFBXVEBCLASE-JCGIZDLHSA-N 1 2 410.465 2.630 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807045909 1080202848 /nfs/dbraw/zinc/20/28/48/1080202848.db2.gz JGOFBXVEBCLASE-JCGIZDLHSA-N 1 2 410.465 2.630 20 0 HFADLO CC(C)[C@@H]1C[C@H](NC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCO1 ZINC000807066281 1080248854 /nfs/dbraw/zinc/24/88/54/1080248854.db2.gz INBAWEJNJSLBQB-QRVBRYPASA-N 1 2 424.586 2.527 20 0 HFADLO Cc1ccsc1CCNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807070217 1080253196 /nfs/dbraw/zinc/25/31/96/1080253196.db2.gz KNHVJSGJYAUYHI-QGZVFWFLSA-N 1 2 422.595 2.936 20 0 HFADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089169 1080268831 /nfs/dbraw/zinc/26/88/31/1080268831.db2.gz VZFOJAGITQEFJU-VXKWHMMOSA-N 1 2 407.514 2.573 20 0 HFADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000807089169 1080268848 /nfs/dbraw/zinc/26/88/48/1080268848.db2.gz VZFOJAGITQEFJU-VXKWHMMOSA-N 1 2 407.514 2.573 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCCC[C@@H]3CCCCO3)CC2)C1 ZINC000807112075 1080289466 /nfs/dbraw/zinc/28/94/66/1080289466.db2.gz PZZNBKGGBZXPID-MOPGFXCFSA-N 1 2 424.586 2.672 20 0 HFADLO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000807150325 1080309183 /nfs/dbraw/zinc/30/91/83/1080309183.db2.gz QCGCRHBSUHPMNX-KURKYZTESA-N 1 2 403.527 2.631 20 0 HFADLO CCOC1CC(CCNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000807169816 1080324807 /nfs/dbraw/zinc/32/48/07/1080324807.db2.gz OXEMYZFOXGPZES-JLAWEPINSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000807182913 1080375939 /nfs/dbraw/zinc/37/59/39/1080375939.db2.gz KPOQPQLIENALQV-BHIYHBOVSA-N 1 2 424.586 2.575 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000807182918 1080376344 /nfs/dbraw/zinc/37/63/44/1080376344.db2.gz KPOQPQLIENALQV-QRQLOZEOSA-N 1 2 424.586 2.575 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(CSc2nc(C)cs2)cc1 ZINC000807281008 1080439319 /nfs/dbraw/zinc/43/93/19/1080439319.db2.gz NSVVUNFOSUWAQZ-MRXNPFEDSA-N 1 2 416.528 2.912 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1nc(Br)sc1C1CC1 ZINC000807435365 1080593489 /nfs/dbraw/zinc/59/34/89/1080593489.db2.gz IOKVHXPBZCCFCW-UHFFFAOYSA-N 1 2 402.358 2.966 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1nc(Br)sc1C1CC1 ZINC000807435365 1080593498 /nfs/dbraw/zinc/59/34/98/1080593498.db2.gz IOKVHXPBZCCFCW-UHFFFAOYSA-N 1 2 402.358 2.966 20 0 HFADLO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000747399551 1080728964 /nfs/dbraw/zinc/72/89/64/1080728964.db2.gz APTIHTSWJADTTE-SOUVJXGZSA-N 1 2 400.479 2.561 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(-c2ccc(F)cc2)n1 ZINC001164700494 719852165 /nfs/dbraw/zinc/85/21/65/719852165.db2.gz HMSAJCFPQBMQNK-XMSQKQJNSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2ccc(F)cc2)n1 ZINC001164700484 719852227 /nfs/dbraw/zinc/85/22/27/719852227.db2.gz HMSAJCFPQBMQNK-AVRDEDQJSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2ccc(Cl)nc2cn1 ZINC001164706040 719856924 /nfs/dbraw/zinc/85/69/24/719856924.db2.gz WJTBLIMTPIVMQC-YWZLYKJASA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2ccc(Cl)cc2n1 ZINC001164705998 719858748 /nfs/dbraw/zinc/85/87/48/719858748.db2.gz VXUPRIUBXNBKRU-OXJNMPFZSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cc(C)ccc2C)nn1 ZINC001164706066 719870679 /nfs/dbraw/zinc/87/06/79/719870679.db2.gz OMCBZFYQPUUNSC-DVECYGJZSA-N 1 2 424.545 2.993 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccc(F)cc2)ncn1 ZINC001164702889 719870902 /nfs/dbraw/zinc/87/09/02/719870902.db2.gz JGMAQVAVEOPSNX-GCJKJVERSA-N 1 2 414.481 2.515 20 0 HFADLO Cc1cccc2c(C)cc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc12 ZINC001164705423 719933125 /nfs/dbraw/zinc/93/31/25/719933125.db2.gz YPIWSCKSQKBMQT-UHFFFAOYSA-N 1 2 418.545 2.535 20 0 HFADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(N)cc(Cl)n1 ZINC001164721920 720315297 /nfs/dbraw/zinc/31/52/97/720315297.db2.gz IXOXKGFUOFBCPB-CQSZACIVSA-N 1 2 412.872 2.879 20 0 HFADLO COc1ccc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1Cl ZINC001164828056 720397724 /nfs/dbraw/zinc/39/77/24/720397724.db2.gz HMZDEWRTQAVRIP-UHFFFAOYSA-N 1 2 409.828 2.535 20 0 HFADLO FC(F)(Oc1cnc(Cl)cn1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871790 721221797 /nfs/dbraw/zinc/22/17/97/721221797.db2.gz LPAQXAMTJUHXLA-UHFFFAOYSA-N 1 2 411.840 2.826 20 0 HFADLO COc1nc(Cl)ncc1C(F)(F)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164780527 721422850 /nfs/dbraw/zinc/42/28/50/721422850.db2.gz AGFJIEAYCRRKBC-GHMZBOCLSA-N 1 2 401.870 2.708 20 0 HFADLO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164780908 721427387 /nfs/dbraw/zinc/42/73/87/721427387.db2.gz BBTMILGUQBOCGJ-UWVGGRQHSA-N 1 2 411.869 2.528 20 0 HFADLO CCOC(=O)c1ccc2ncnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165010503 721704039 /nfs/dbraw/zinc/70/40/39/721704039.db2.gz JPIZVZIQHHDXQT-UHFFFAOYSA-N 1 2 423.521 2.649 20 0 HFADLO CCOC(=O)c1ccc2ncnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165010503 721704042 /nfs/dbraw/zinc/70/40/42/721704042.db2.gz JPIZVZIQHHDXQT-UHFFFAOYSA-N 1 2 423.521 2.649 20 0 HFADLO Clc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164911073 721768903 /nfs/dbraw/zinc/76/89/03/721768903.db2.gz DPTNCCULNZQXCN-LJQANCHMSA-N 1 2 409.317 2.891 20 0 HFADLO Clc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164911073 721768906 /nfs/dbraw/zinc/76/89/06/721768906.db2.gz DPTNCCULNZQXCN-LJQANCHMSA-N 1 2 409.317 2.891 20 0 HFADLO CSc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C)c1 ZINC001164916318 721792192 /nfs/dbraw/zinc/79/21/92/721792192.db2.gz PRYMPGAJCWYXFF-NRFANRHFSA-N 1 2 400.548 2.615 20 0 HFADLO CSc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C)c1 ZINC001164916318 721792194 /nfs/dbraw/zinc/79/21/94/721792194.db2.gz PRYMPGAJCWYXFF-NRFANRHFSA-N 1 2 400.548 2.615 20 0 HFADLO CCCc1cc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)nc(C)[nH+]1 ZINC001164923679 721830098 /nfs/dbraw/zinc/83/00/98/721830098.db2.gz UBKCATGWCXRMAJ-NRFANRHFSA-N 1 2 417.579 2.610 20 0 HFADLO COC(OC)c1cc(C)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946835 721976814 /nfs/dbraw/zinc/97/68/14/721976814.db2.gz LKLXZKBVWUEAGJ-UHFFFAOYSA-N 1 2 424.545 2.652 20 0 HFADLO COC(OC)c1cc(C)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946835 721976818 /nfs/dbraw/zinc/97/68/18/721976818.db2.gz LKLXZKBVWUEAGJ-UHFFFAOYSA-N 1 2 424.545 2.652 20 0 HFADLO CC(C)OC(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947673 721980638 /nfs/dbraw/zinc/98/06/38/721980638.db2.gz IJVBWCJPEWBKRK-UHFFFAOYSA-N 1 2 422.529 2.618 20 0 HFADLO CC(C)OC(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947673 721980640 /nfs/dbraw/zinc/98/06/40/721980640.db2.gz IJVBWCJPEWBKRK-UHFFFAOYSA-N 1 2 422.529 2.618 20 0 HFADLO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(C[NH+]1CCC(Oc3ccc(F)nc3)CC1)C2=O ZINC000790466167 1078044626 /nfs/dbraw/zinc/04/46/26/1078044626.db2.gz RSLPYSIZQCYEIW-USGNIVHTSA-N 1 2 404.486 2.768 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)c1cccc(Cl)c1 ZINC001170138775 1078048246 /nfs/dbraw/zinc/04/82/46/1078048246.db2.gz FDWFNISYKYBBQA-IAGOWNOFSA-N 1 2 419.913 2.802 20 0 HFADLO CNS(=O)(=O)c1cccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)c1 ZINC000790529440 1078051792 /nfs/dbraw/zinc/05/17/92/1078051792.db2.gz DCHUKUVQWYEUDI-UHFFFAOYSA-N 1 2 404.923 2.783 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCNc1ncnc2sccc21 ZINC000793109515 1078081280 /nfs/dbraw/zinc/08/12/80/1078081280.db2.gz DEWKAMUBURDBMD-UHFFFAOYSA-N 1 2 402.430 2.856 20 0 HFADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCCSCc1ccccc1 ZINC000790656679 1078095031 /nfs/dbraw/zinc/09/50/31/1078095031.db2.gz VIXFNYVJYUMPDP-UHFFFAOYSA-N 1 2 413.543 2.987 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000793251329 1078110944 /nfs/dbraw/zinc/11/09/44/1078110944.db2.gz QDQDSERIPLQARG-MRXNPFEDSA-N 1 2 406.280 2.573 20 0 HFADLO O=C(OC1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1)C1CC1 ZINC000747117734 1078161666 /nfs/dbraw/zinc/16/16/66/1078161666.db2.gz HXTQJSXWDJKAIP-UHFFFAOYSA-N 1 2 416.337 2.640 20 0 HFADLO CCON(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000793476375 1078187175 /nfs/dbraw/zinc/18/71/75/1078187175.db2.gz FKNOJSQNULXTGP-OAHLLOKOSA-N 1 2 417.291 2.849 20 0 HFADLO CCON(C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000793476375 1078187179 /nfs/dbraw/zinc/18/71/79/1078187179.db2.gz FKNOJSQNULXTGP-OAHLLOKOSA-N 1 2 417.291 2.849 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2N(C)CC)[C@@H]1c1c[nH+]cn1C ZINC000793456410 1078192412 /nfs/dbraw/zinc/19/24/12/1078192412.db2.gz SDUMFLHKVLKLNK-XMSQKQJNSA-N 1 2 411.550 2.882 20 0 HFADLO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000793458764 1078192996 /nfs/dbraw/zinc/19/29/96/1078192996.db2.gz SKDYZPJZWPXQJY-VQIMIIECSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000793458764 1078192998 /nfs/dbraw/zinc/19/29/98/1078192998.db2.gz SKDYZPJZWPXQJY-VQIMIIECSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000793458763 1078193003 /nfs/dbraw/zinc/19/30/03/1078193003.db2.gz SKDYZPJZWPXQJY-QFBILLFUSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000793458763 1078193005 /nfs/dbraw/zinc/19/30/05/1078193005.db2.gz SKDYZPJZWPXQJY-QFBILLFUSA-N 1 2 409.571 2.782 20 0 HFADLO C[N@H+](Cn1ncc2cccc(OCc3ccccc3)c21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793589293 1078216199 /nfs/dbraw/zinc/21/61/99/1078216199.db2.gz NMZRELZAFXMEJT-LJQANCHMSA-N 1 2 414.531 2.539 20 0 HFADLO C[N@@H+](Cn1ncc2cccc(OCc3ccccc3)c21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793589293 1078216202 /nfs/dbraw/zinc/21/62/02/1078216202.db2.gz NMZRELZAFXMEJT-LJQANCHMSA-N 1 2 414.531 2.539 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Oc2ccc(NC(C)=O)cc2F)[C@@H]1c1c[nH+]cn1C ZINC000793580112 1078213863 /nfs/dbraw/zinc/21/38/63/1078213863.db2.gz HOLBHUNXKFQJNZ-FOIQADDNSA-N 1 2 416.453 2.813 20 0 HFADLO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CN2C(=O)N[C@@]3(C2=O)[C@H](C)CCC[C@@H]3C)C1 ZINC000793597418 1078219925 /nfs/dbraw/zinc/21/99/25/1078219925.db2.gz KTVTXQYCPDLAGV-RZRCNZQPSA-N 1 2 413.518 2.507 20 0 HFADLO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CN2C(=O)N[C@@]3(C2=O)[C@H](C)CCC[C@@H]3C)C1 ZINC000793597418 1078219928 /nfs/dbraw/zinc/21/99/28/1078219928.db2.gz KTVTXQYCPDLAGV-RZRCNZQPSA-N 1 2 413.518 2.507 20 0 HFADLO COCC1(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793652545 1078226210 /nfs/dbraw/zinc/22/62/10/1078226210.db2.gz UCAMNJKTCUHLMR-ROUUACIJSA-N 1 2 420.554 2.956 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000793647499 1078241229 /nfs/dbraw/zinc/24/12/29/1078241229.db2.gz AXOLQJVGNMECOR-YQVWRLOYSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000793647499 1078241231 /nfs/dbraw/zinc/24/12/31/1078241231.db2.gz AXOLQJVGNMECOR-YQVWRLOYSA-N 1 2 409.571 2.782 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NCCc2ccc(Cl)nc2)[C@@H]1c1c[nH+]cn1C ZINC000793656599 1078259230 /nfs/dbraw/zinc/25/92/30/1078259230.db2.gz KVLPYJMLRYSRDE-DNVCBOLYSA-N 1 2 403.914 2.517 20 0 HFADLO COCC1(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793972334 1078349690 /nfs/dbraw/zinc/34/96/90/1078349690.db2.gz RYGANIMEAUZKAA-KRWDZBQOSA-N 1 2 420.554 2.790 20 0 HFADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000747169002 1078360209 /nfs/dbraw/zinc/36/02/09/1078360209.db2.gz ICRTYVWMQUFTSZ-UHFFFAOYSA-N 1 2 410.927 2.866 20 0 HFADLO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCn2c(COc3ccccn3)nnc2C1 ZINC001170442367 1078367362 /nfs/dbraw/zinc/36/73/62/1078367362.db2.gz LOYNJKGMKSRIFS-KRWDZBQOSA-N 1 2 407.474 2.818 20 0 HFADLO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCn2c(COc3ccccn3)nnc2C1 ZINC001170442367 1078367365 /nfs/dbraw/zinc/36/73/65/1078367365.db2.gz LOYNJKGMKSRIFS-KRWDZBQOSA-N 1 2 407.474 2.818 20 0 HFADLO CO[C@@H](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000794343797 1078420481 /nfs/dbraw/zinc/42/04/81/1078420481.db2.gz DEUACRIFLPNDQO-BBRMVZONSA-N 1 2 416.303 2.797 20 0 HFADLO CO[C@@H](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000794343797 1078420482 /nfs/dbraw/zinc/42/04/82/1078420482.db2.gz DEUACRIFLPNDQO-BBRMVZONSA-N 1 2 416.303 2.797 20 0 HFADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804438681 1078476853 /nfs/dbraw/zinc/47/68/53/1078476853.db2.gz QYWLZOCSEAZLOO-TYPHKJRUSA-N 1 2 417.550 2.649 20 0 HFADLO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000804438197 1078483125 /nfs/dbraw/zinc/48/31/25/1078483125.db2.gz LGVZPUNBKMGHAO-SXLOBPIMSA-N 1 2 417.550 2.882 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCCC1(C)C ZINC000804438925 1078484259 /nfs/dbraw/zinc/48/42/59/1078484259.db2.gz BNBOJQPRCAEAID-SQNIBIBYSA-N 1 2 409.571 2.734 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC001129823020 1078517875 /nfs/dbraw/zinc/51/78/75/1078517875.db2.gz PZSLNEWBWSJJAC-MSOLQXFVSA-N 1 2 401.334 2.903 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C/c3cccc(O)c3)C2)CC1 ZINC000804761111 1078612018 /nfs/dbraw/zinc/61/20/18/1078612018.db2.gz WECLONVOMLDUIP-LKGOPFMKSA-N 1 2 401.507 2.559 20 0 HFADLO Cc1ccc(/C=C/C(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000804760915 1078612652 /nfs/dbraw/zinc/61/26/52/1078612652.db2.gz RDCIBLHGPFNCPR-UCFODXPJSA-N 1 2 400.523 2.557 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)/C=C/c3ccc(O)cc3)C2)CC1 ZINC000804763908 1078621002 /nfs/dbraw/zinc/62/10/02/1078621002.db2.gz MSWRQEHSHDWYIN-AHKGRUIUSA-N 1 2 401.507 2.559 20 0 HFADLO COc1c[nH+]c(NC[C@H]2COC3(CCCC3)O2)nc1NC[C@@H]1COC2(CCCC2)O1 ZINC000804590511 1078624513 /nfs/dbraw/zinc/62/45/13/1078624513.db2.gz XVAWZPNBXGSAKA-CVEARBPZSA-N 1 2 420.510 2.680 20 0 HFADLO COc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c(OCCC(C)C)c1 ZINC001129670420 1078629581 /nfs/dbraw/zinc/62/95/81/1078629581.db2.gz ZJYAUVNLGSRCDW-UHFFFAOYSA-N 1 2 420.550 2.731 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC001129698262 1078657132 /nfs/dbraw/zinc/65/71/32/1078657132.db2.gz FEHKXYBTFRZXKM-UHFFFAOYSA-N 1 2 400.544 2.933 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3nc4ccccc4cc3CO)C2)CC1 ZINC000804834324 1078675339 /nfs/dbraw/zinc/67/53/39/1078675339.db2.gz GILLWJZGHRCSEF-LJQANCHMSA-N 1 2 412.534 2.859 20 0 HFADLO O=C(COC(=O)c1ccnc2ccccc21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000804852163 1078722497 /nfs/dbraw/zinc/72/24/97/1078722497.db2.gz BIGXXHYJPQGPFY-UHFFFAOYSA-N 1 2 419.481 2.540 20 0 HFADLO COc1cc(C(=O)N(CCCn2cc[nH+]c2)c2ccc(Br)cn2)on1 ZINC001130013563 1078764406 /nfs/dbraw/zinc/76/44/06/1078764406.db2.gz PXKODXRHNSWHCP-UHFFFAOYSA-N 1 2 406.240 2.774 20 0 HFADLO O=C(OC[C@@H]1CCCO1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000804942202 1078769849 /nfs/dbraw/zinc/76/98/49/1078769849.db2.gz DQDCYTFEYXZZKI-HNNXBMFYSA-N 1 2 406.508 2.664 20 0 HFADLO O=C(OCc1cc(F)cc(N2CCOCC2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001130049919 1078855487 /nfs/dbraw/zinc/85/54/87/1078855487.db2.gz ZOQNFNFFDMIPPE-QFIPXVFZSA-N 1 2 414.477 2.607 20 0 HFADLO O=C(OCc1cc(F)cc(N2CCOCC2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001130049919 1078855492 /nfs/dbraw/zinc/85/54/92/1078855492.db2.gz ZOQNFNFFDMIPPE-QFIPXVFZSA-N 1 2 414.477 2.607 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000805116851 1078900865 /nfs/dbraw/zinc/90/08/65/1078900865.db2.gz BFVSJMNGCDWNDC-SFHVURJKSA-N 1 2 420.535 2.611 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3cc(F)ccc3F)C2)CC1 ZINC000805079166 1078910497 /nfs/dbraw/zinc/91/04/97/1078910497.db2.gz SMVZDFYGUTXSAF-QGZVFWFLSA-N 1 2 424.492 2.801 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(Br)cc1F ZINC000805091983 1078917610 /nfs/dbraw/zinc/91/76/10/1078917610.db2.gz UAPJTJBEKBQXGR-XJKSGUPXSA-N 1 2 414.319 2.635 20 0 HFADLO CCCC[C@H](COC)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805135867 1078932766 /nfs/dbraw/zinc/93/27/66/1078932766.db2.gz YXJJRXKGZMZFQO-QZTJIDSGSA-N 1 2 412.575 2.528 20 0 HFADLO C[C@H]([C@H](C)NC(=O)N1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)[NH+]1CCOCC1 ZINC000805136869 1078933627 /nfs/dbraw/zinc/93/36/27/1078933627.db2.gz KMHYEWZTSBLMNH-SVMVAKDDSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1ccncc1 ZINC000805171207 1078958082 /nfs/dbraw/zinc/95/80/82/1078958082.db2.gz JPSOLVAYMDGYLW-MJGOQNOKSA-N 1 2 417.554 2.522 20 0 HFADLO CCOC1CC(CCNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000805331968 1079022103 /nfs/dbraw/zinc/02/21/03/1079022103.db2.gz KNMQTBDGBKJUCE-JLAWEPINSA-N 1 2 424.586 2.528 20 0 HFADLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC001170480158 1079048162 /nfs/dbraw/zinc/04/81/62/1079048162.db2.gz MKMZYWSJUZLEMP-NRFANRHFSA-N 1 2 411.502 2.654 20 0 HFADLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)NCc2ccc(COc3ccccc3)cc2)C1 ZINC001170480158 1079048186 /nfs/dbraw/zinc/04/81/86/1079048186.db2.gz MKMZYWSJUZLEMP-NRFANRHFSA-N 1 2 411.502 2.654 20 0 HFADLO COC1(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCCC1 ZINC000805380409 1079053617 /nfs/dbraw/zinc/05/36/17/1079053617.db2.gz OZVORCVIDCZHMY-SFHVURJKSA-N 1 2 424.586 2.672 20 0 HFADLO CCN(C)C(=O)c1cccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000805445722 1079070221 /nfs/dbraw/zinc/07/02/21/1079070221.db2.gz AQWJOJWNFQKRFM-UHFFFAOYSA-N 1 2 418.538 2.706 20 0 HFADLO C[C@@H](CNS(=O)(=O)/C=C\c1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000747246110 1079104055 /nfs/dbraw/zinc/10/40/55/1079104055.db2.gz TWYQNOCDRHNSRE-QMJOVRGKSA-N 1 2 403.523 2.927 20 0 HFADLO COC(=O)/C=C\c1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000747247897 1079104391 /nfs/dbraw/zinc/10/43/91/1079104391.db2.gz MDUFCVMGHIPWOA-YFHOEESVSA-N 1 2 415.515 2.737 20 0 HFADLO COC(=O)/C=C/c1ccc(S(=O)(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000747256775 1079189148 /nfs/dbraw/zinc/18/91/48/1079189148.db2.gz ZSCSAPHJJXFPQM-DHZHZOJOSA-N 1 2 404.488 2.714 20 0 HFADLO Cc1cccc(C)c1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000805679895 1079216549 /nfs/dbraw/zinc/21/65/49/1079216549.db2.gz RLKUXFXXWZQZJI-WOJBJXKFSA-N 1 2 401.457 2.759 20 0 HFADLO Cc1cccc(C)c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000805679895 1079216559 /nfs/dbraw/zinc/21/65/59/1079216559.db2.gz RLKUXFXXWZQZJI-WOJBJXKFSA-N 1 2 401.457 2.759 20 0 HFADLO O=C(COC(=O)c1cc(-n2cccc2)ccn1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000805711829 1079232921 /nfs/dbraw/zinc/23/29/21/1079232921.db2.gz ZSCVFAUTEIIRIF-UHFFFAOYSA-N 1 2 420.469 2.500 20 0 HFADLO O=C(C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000805754646 1079231436 /nfs/dbraw/zinc/23/14/36/1079231436.db2.gz YLCGDRVHHDCABK-LJQANCHMSA-N 1 2 408.502 2.846 20 0 HFADLO O=C(C[N@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000805754646 1079231442 /nfs/dbraw/zinc/23/14/42/1079231442.db2.gz YLCGDRVHHDCABK-LJQANCHMSA-N 1 2 408.502 2.846 20 0 HFADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000805782616 1079250521 /nfs/dbraw/zinc/25/05/21/1079250521.db2.gz ZBFSOJMXSCZLHF-UHVIJJLKSA-N 1 2 420.535 2.844 20 0 HFADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000805782616 1079250529 /nfs/dbraw/zinc/25/05/29/1079250529.db2.gz ZBFSOJMXSCZLHF-UHVIJJLKSA-N 1 2 420.535 2.844 20 0 HFADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CCc3cc(Cl)nnc3C2)c1 ZINC001130369418 1079267329 /nfs/dbraw/zinc/26/73/29/1079267329.db2.gz FRAXXKGTAUQUFA-UHFFFAOYSA-N 1 2 410.865 2.554 20 0 HFADLO CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000805836047 1079275399 /nfs/dbraw/zinc/27/53/99/1079275399.db2.gz ZPMHALCFYAKQPH-WIVVBHTDSA-N 1 2 416.522 2.610 20 0 HFADLO CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000805836047 1079275403 /nfs/dbraw/zinc/27/54/03/1079275403.db2.gz ZPMHALCFYAKQPH-WIVVBHTDSA-N 1 2 416.522 2.610 20 0 HFADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000805826467 1079296588 /nfs/dbraw/zinc/29/65/88/1079296588.db2.gz ATZWXZYBWVMAKR-INIZCTEOSA-N 1 2 403.479 2.877 20 0 HFADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000805826467 1079296594 /nfs/dbraw/zinc/29/65/94/1079296594.db2.gz ATZWXZYBWVMAKR-INIZCTEOSA-N 1 2 403.479 2.877 20 0 HFADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000805827050 1079297570 /nfs/dbraw/zinc/29/75/70/1079297570.db2.gz FDMKGFJQVLVMCN-GFCCVEGCSA-N 1 2 413.400 2.731 20 0 HFADLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000805827050 1079297574 /nfs/dbraw/zinc/29/75/74/1079297574.db2.gz FDMKGFJQVLVMCN-GFCCVEGCSA-N 1 2 413.400 2.731 20 0 HFADLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000805827493 1079297607 /nfs/dbraw/zinc/29/76/07/1079297607.db2.gz KQOAXVRKWRGIBP-ZDUSSCGKSA-N 1 2 418.357 2.680 20 0 HFADLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000805827493 1079297614 /nfs/dbraw/zinc/29/76/14/1079297614.db2.gz KQOAXVRKWRGIBP-ZDUSSCGKSA-N 1 2 418.357 2.680 20 0 HFADLO Cc1cccc(CCC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000805866929 1079310599 /nfs/dbraw/zinc/31/05/99/1079310599.db2.gz TYTLWFNETKGHHL-UHFFFAOYSA-N 1 2 410.514 2.619 20 0 HFADLO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1N1CCSCC1 ZINC000806247598 1079500704 /nfs/dbraw/zinc/50/07/04/1079500704.db2.gz NAYCCYYWTJOJSQ-HKUYNNGSSA-N 1 2 404.580 2.875 20 0 HFADLO COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1OC ZINC000787356060 1076794774 /nfs/dbraw/zinc/79/47/74/1076794774.db2.gz QKKTXUFJCIARDQ-QGZVFWFLSA-N 1 2 421.538 2.651 20 0 HFADLO COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1OC ZINC000787356060 1076794776 /nfs/dbraw/zinc/79/47/76/1076794776.db2.gz QKKTXUFJCIARDQ-QGZVFWFLSA-N 1 2 421.538 2.651 20 0 HFADLO Cn1c(SCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nc2ccsc2c1=O ZINC000787491280 1076823642 /nfs/dbraw/zinc/82/36/42/1076823642.db2.gz NKLAJMMZWWTYMT-UHFFFAOYSA-N 1 2 410.565 2.640 20 0 HFADLO Cc1cc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)no1 ZINC000787532940 1076850971 /nfs/dbraw/zinc/85/09/71/1076850971.db2.gz KGPJMARWZMOYHX-UHFFFAOYSA-N 1 2 409.284 2.515 20 0 HFADLO COc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c(C)nn1C ZINC000787533564 1076851252 /nfs/dbraw/zinc/85/12/52/1076851252.db2.gz ORJFZMBVEVAPEL-UHFFFAOYSA-N 1 2 422.327 2.504 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCc4n[nH]cc43)cc2Br)CC1 ZINC000787536961 1076852287 /nfs/dbraw/zinc/85/22/87/1076852287.db2.gz TXRGRFQJYWZYCC-AWEZNQCLSA-N 1 2 418.339 2.983 20 0 HFADLO Nc1cc(COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc[nH+]1 ZINC000787571149 1076867561 /nfs/dbraw/zinc/86/75/61/1076867561.db2.gz IXTGPDBIYUCPRQ-UHFFFAOYSA-N 1 2 403.504 2.514 20 0 HFADLO Nc1cc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc[nH+]1 ZINC000787579436 1076871576 /nfs/dbraw/zinc/87/15/76/1076871576.db2.gz VUEYKCOCIJVYDR-UHFFFAOYSA-N 1 2 409.895 2.849 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)Nc3ccccc3)cc2Br)CC1 ZINC000787671336 1076906089 /nfs/dbraw/zinc/90/60/89/1076906089.db2.gz OOBMSPXDDLRKSU-UHFFFAOYSA-N 1 2 417.307 2.778 20 0 HFADLO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)O[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787728041 1076932664 /nfs/dbraw/zinc/93/26/64/1076932664.db2.gz FXSBZHBZJVAMQQ-VQTJNVASSA-N 1 2 424.488 2.792 20 0 HFADLO C[C@@H](C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000787846486 1076962453 /nfs/dbraw/zinc/96/24/53/1076962453.db2.gz YILIZHGXSJCISN-VBKZILBWSA-N 1 2 423.891 2.979 20 0 HFADLO C[C@@H]1CC[C@H](C)N1C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787903810 1076988933 /nfs/dbraw/zinc/98/89/33/1076988933.db2.gz YEGNSUFNWIBAQM-OKILXGFUSA-N 1 2 423.355 2.539 20 0 HFADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000788004188 1077026308 /nfs/dbraw/zinc/02/63/08/1077026308.db2.gz KZMBOZPKPFUAIS-HNNXBMFYSA-N 1 2 409.502 2.813 20 0 HFADLO COCC[S@@](=O)Cc1cccc(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000746724657 1077038732 /nfs/dbraw/zinc/03/87/32/1077038732.db2.gz MCKPAIFNUJDULK-GDLZYMKVSA-N 1 2 414.531 2.902 20 0 HFADLO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c(C)o1 ZINC000788251540 1077087041 /nfs/dbraw/zinc/08/70/41/1077087041.db2.gz YHEFGOPPVLZTOL-CQSZACIVSA-N 1 2 420.535 2.554 20 0 HFADLO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c(C)o1 ZINC000788251540 1077087050 /nfs/dbraw/zinc/08/70/50/1077087050.db2.gz YHEFGOPPVLZTOL-CQSZACIVSA-N 1 2 420.535 2.554 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2ccc(Cl)cc2-n2cccn2)c1C ZINC000788327178 1077102291 /nfs/dbraw/zinc/10/22/91/1077102291.db2.gz BKVLBQSHHNBKGB-UHFFFAOYSA-N 1 2 413.865 2.801 20 0 HFADLO O=C1C[C@]2(CCSC2)C(=O)N1C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000788372449 1077132022 /nfs/dbraw/zinc/13/20/22/1077132022.db2.gz JOOSODYWXDVRAT-IBGZPJMESA-N 1 2 409.939 2.666 20 0 HFADLO O=C(c1cc(NCC[NH+]2CCN(Cc3ccccc3)CC2)ccn1)N1CCCCC1 ZINC000788450200 1077163178 /nfs/dbraw/zinc/16/31/78/1077163178.db2.gz RYMPCLJPYMMDSM-UHFFFAOYSA-N 1 2 407.562 2.937 20 0 HFADLO CC[C@@H]1CN(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C[C@@H](C)S1(=O)=O ZINC001170085019 1077169966 /nfs/dbraw/zinc/16/99/66/1077169966.db2.gz FCKFRLZIIQFUGP-YLJYHZDGSA-N 1 2 414.015 2.750 20 0 HFADLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)NCCSC(F)(F)F)c(C)c1 ZINC000788542231 1077194375 /nfs/dbraw/zinc/19/43/75/1077194375.db2.gz LDRJZZWCXWNOAI-OAHLLOKOSA-N 1 2 414.453 2.727 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000788543134 1077194649 /nfs/dbraw/zinc/19/46/49/1077194649.db2.gz XLQSSHSDZGSUBQ-GVDBMIGSSA-N 1 2 408.518 2.624 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c(C)c1Cl ZINC000788588650 1077214369 /nfs/dbraw/zinc/21/43/69/1077214369.db2.gz JMNUDWZDODARHN-UHFFFAOYSA-N 1 2 406.957 2.745 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000788602596 1077220179 /nfs/dbraw/zinc/22/01/79/1077220179.db2.gz CEGNLXHLGOPDAN-GFCCVEGCSA-N 1 2 406.653 2.580 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCCOc1cccc(Cl)c1Cl ZINC000788602201 1077220197 /nfs/dbraw/zinc/22/01/97/1077220197.db2.gz AIWDWQWFZISSKG-ZDUSSCGKSA-N 1 2 400.262 2.707 20 0 HFADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1nc(Br)ccc1Br ZINC000790928269 1077235802 /nfs/dbraw/zinc/23/58/02/1077235802.db2.gz FKNKDVDJLQFHTB-QMMMGPOBSA-N 1 2 400.074 2.548 20 0 HFADLO Cc1ccc(S(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c(Cl)n1 ZINC000788682932 1077249702 /nfs/dbraw/zinc/24/97/02/1077249702.db2.gz NJNGJTLGYKNCER-INIZCTEOSA-N 1 2 411.980 2.939 20 0 HFADLO Cc1ccc(S(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c(Cl)n1 ZINC000788682932 1077249711 /nfs/dbraw/zinc/24/97/11/1077249711.db2.gz NJNGJTLGYKNCER-INIZCTEOSA-N 1 2 411.980 2.939 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)/C=C\c1ccccc1Br ZINC000788697200 1077275328 /nfs/dbraw/zinc/27/53/28/1077275328.db2.gz IZMSQXDEXGFMEX-JYRVWZFOSA-N 1 2 417.369 2.792 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)/C=C\c1ccccc1Br ZINC000788697200 1077275333 /nfs/dbraw/zinc/27/53/33/1077275333.db2.gz IZMSQXDEXGFMEX-JYRVWZFOSA-N 1 2 417.369 2.792 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)/C=C/c2cccc(Br)c2)C[C@H](C)O1 ZINC000788696595 1077275666 /nfs/dbraw/zinc/27/56/66/1077275666.db2.gz UOZXXMCALXHQIY-ONWOKCAKSA-N 1 2 417.369 2.791 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)/C=C/c2cccc(Br)c2)C[C@H](C)O1 ZINC000788696595 1077275672 /nfs/dbraw/zinc/27/56/72/1077275672.db2.gz UOZXXMCALXHQIY-ONWOKCAKSA-N 1 2 417.369 2.791 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(-c4cnn(C)c4)nn3)CC2)cc1 ZINC000788791094 1077305550 /nfs/dbraw/zinc/30/55/50/1077305550.db2.gz YZAXXDZOPIQQLN-UHFFFAOYSA-N 1 2 420.521 2.734 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC[C@@H](Cc4cnn(C)c4)C3)CC2)cc1 ZINC000746773416 1077337976 /nfs/dbraw/zinc/33/79/76/1077337976.db2.gz WAVQAPOWJTXIGW-SFHVURJKSA-N 1 2 410.566 2.729 20 0 HFADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000791269855 1077354183 /nfs/dbraw/zinc/35/41/83/1077354183.db2.gz CNLZZJYAFVTKSS-IOASZLSFSA-N 1 2 412.456 2.888 20 0 HFADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000791269855 1077354189 /nfs/dbraw/zinc/35/41/89/1077354189.db2.gz CNLZZJYAFVTKSS-IOASZLSFSA-N 1 2 412.456 2.888 20 0 HFADLO C[C@]12CCC(=O)N1[C@H](C(=O)N[C@H]1CCc3[nH+]c(C4CCCCC4)[nH]c3C1)CS2 ZINC000791270607 1077354583 /nfs/dbraw/zinc/35/45/83/1077354583.db2.gz FHYAXPONERCISP-LFRPXUGBSA-N 1 2 402.564 2.885 20 0 HFADLO C[C@]12CCC(=O)N1[C@H](C(=O)N[C@H]1CCc3[nH]c(C4CCCCC4)[nH+]c3C1)CS2 ZINC000791270607 1077354588 /nfs/dbraw/zinc/35/45/88/1077354588.db2.gz FHYAXPONERCISP-LFRPXUGBSA-N 1 2 402.564 2.885 20 0 HFADLO Cc1c(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cnn1-c1ccc(=O)[nH]n1 ZINC000791271353 1077354982 /nfs/dbraw/zinc/35/49/82/1077354982.db2.gz HSROKUAZJLACEC-HNNXBMFYSA-N 1 2 421.505 2.734 20 0 HFADLO Cc1c(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cnn1-c1ccc(=O)[nH]n1 ZINC000791271353 1077354986 /nfs/dbraw/zinc/35/49/86/1077354986.db2.gz HSROKUAZJLACEC-HNNXBMFYSA-N 1 2 421.505 2.734 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O ZINC000791293164 1077358973 /nfs/dbraw/zinc/35/89/73/1077358973.db2.gz VHFFWUCQHDOOQT-AOMKIAJQSA-N 1 2 410.474 2.725 20 0 HFADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCC(=O)C1CCCCCC1 ZINC000788956983 1077362762 /nfs/dbraw/zinc/36/27/62/1077362762.db2.gz HJGPMNWISGMPSI-UHFFFAOYSA-N 1 2 401.507 2.593 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000791306659 1077366484 /nfs/dbraw/zinc/36/64/84/1077366484.db2.gz FQWNGIPFISNDJD-UHFFFAOYSA-N 1 2 405.863 2.839 20 0 HFADLO Cc1c(Cl)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)sc1S(N)(=O)=O ZINC000791329777 1077375919 /nfs/dbraw/zinc/37/59/19/1077375919.db2.gz PAPPWOHTUODMBV-UHFFFAOYSA-N 1 2 414.871 2.934 20 0 HFADLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791336468 1077378032 /nfs/dbraw/zinc/37/80/32/1077378032.db2.gz MNYRPTIXNGJVHZ-LJQANCHMSA-N 1 2 405.520 2.818 20 0 HFADLO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791340087 1077378981 /nfs/dbraw/zinc/37/89/81/1077378981.db2.gz XNINDGWEDAVKMG-IBGZPJMESA-N 1 2 405.520 2.818 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000788980816 1077382749 /nfs/dbraw/zinc/38/27/49/1077382749.db2.gz MJNJTNWEOXQNDJ-SJLPKXTDSA-N 1 2 404.511 2.891 20 0 HFADLO CC1(C)CCCC[C@H]1C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000789063339 1077395141 /nfs/dbraw/zinc/39/51/41/1077395141.db2.gz JYMFZRNLQSBXEW-FQEVSTJZSA-N 1 2 402.535 2.895 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000791403089 1077399666 /nfs/dbraw/zinc/39/96/66/1077399666.db2.gz WVKUENDUIYXPJR-QFIPXVFZSA-N 1 2 404.426 2.592 20 0 HFADLO C/C=C(/CC)C(=O)OCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000789228321 1077484412 /nfs/dbraw/zinc/48/44/12/1077484412.db2.gz NHUSACOAKCSOEW-FMQZQXMHSA-N 1 2 404.507 2.556 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCc3cn4cccc(C)c4[nH+]3)C2)c1 ZINC000791624173 1077491234 /nfs/dbraw/zinc/49/12/34/1077491234.db2.gz YENBVLLXFBKOKC-FQEVSTJZSA-N 1 2 408.458 2.512 20 0 HFADLO Cc1ccc(-n2ncc(C(=O)N3CC[NH2+][C@H](c4cnn(C)c4)C3)c2C(F)(F)F)cc1 ZINC001170101778 1077516138 /nfs/dbraw/zinc/51/61/38/1077516138.db2.gz LTZLHQGBDLAOCG-KRWDZBQOSA-N 1 2 418.423 2.720 20 0 HFADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000789364656 1077539366 /nfs/dbraw/zinc/53/93/66/1077539366.db2.gz BUHOVGOLENZTTA-ZDUSSCGKSA-N 1 2 411.418 2.918 20 0 HFADLO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000789364656 1077539373 /nfs/dbraw/zinc/53/93/73/1077539373.db2.gz BUHOVGOLENZTTA-ZDUSSCGKSA-N 1 2 411.418 2.918 20 0 HFADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789369688 1077541567 /nfs/dbraw/zinc/54/15/67/1077541567.db2.gz AOJDCGSYXOBRBK-OXJNMPFZSA-N 1 2 401.532 2.667 20 0 HFADLO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789369688 1077541570 /nfs/dbraw/zinc/54/15/70/1077541570.db2.gz AOJDCGSYXOBRBK-OXJNMPFZSA-N 1 2 401.532 2.667 20 0 HFADLO CCOC(=O)N(C)C1CC[NH+](CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)CC1 ZINC000789423096 1077552416 /nfs/dbraw/zinc/55/24/16/1077552416.db2.gz GGQBSOSTMTWRGQ-NRFANRHFSA-N 1 2 408.543 2.633 20 0 HFADLO Nc1cc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)cc[nH+]1 ZINC000791811302 1077563597 /nfs/dbraw/zinc/56/35/97/1077563597.db2.gz MSEOTLMCCMVTJA-HNNXBMFYSA-N 1 2 404.264 2.774 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)C1=O ZINC000789439941 1077573374 /nfs/dbraw/zinc/57/33/74/1077573374.db2.gz DJLFLSSXWQFFRS-YADHBBJMSA-N 1 2 403.498 2.813 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)C1=O ZINC000789439941 1077573378 /nfs/dbraw/zinc/57/33/78/1077573378.db2.gz DJLFLSSXWQFFRS-YADHBBJMSA-N 1 2 403.498 2.813 20 0 HFADLO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000789457782 1077581963 /nfs/dbraw/zinc/58/19/63/1077581963.db2.gz WIVLZUWDGCLKAG-KRWDZBQOSA-N 1 2 403.433 2.953 20 0 HFADLO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nnnn1-c1ccc(OC(F)F)cc1 ZINC000789457782 1077581967 /nfs/dbraw/zinc/58/19/67/1077581967.db2.gz WIVLZUWDGCLKAG-KRWDZBQOSA-N 1 2 403.433 2.953 20 0 HFADLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789526566 1077622858 /nfs/dbraw/zinc/62/28/58/1077622858.db2.gz RSZAEQZJMDBJNX-BBTUJRGHSA-N 1 2 409.530 2.994 20 0 HFADLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789526566 1077622861 /nfs/dbraw/zinc/62/28/61/1077622861.db2.gz RSZAEQZJMDBJNX-BBTUJRGHSA-N 1 2 409.530 2.994 20 0 HFADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCCC[C@@H]2C(=O)OCc2ccccc2)CC1 ZINC000791957069 1077630547 /nfs/dbraw/zinc/63/05/47/1077630547.db2.gz NNPUPJMVTBNJEO-OAQYLSRUSA-N 1 2 424.545 2.757 20 0 HFADLO C[C@@H](CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)NC(=O)OC(C)(C)C ZINC000792104077 1077698293 /nfs/dbraw/zinc/69/82/93/1077698293.db2.gz HHRFVPSDUDVCLY-INIZCTEOSA-N 1 2 419.570 2.934 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[nH+]1 ZINC000789598859 1077703646 /nfs/dbraw/zinc/70/36/46/1077703646.db2.gz GOBDIRITQHBXBX-UHFFFAOYSA-N 1 2 409.155 2.665 20 0 HFADLO CCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)c(=O)[nH]c1=O ZINC000772741829 1077718006 /nfs/dbraw/zinc/71/80/06/1077718006.db2.gz NVQJNYFLQGIZOO-ZDUSSCGKSA-N 1 2 410.396 2.590 20 0 HFADLO CCn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2C(F)(F)F)c(=O)[nH]c1=O ZINC000772741829 1077718012 /nfs/dbraw/zinc/71/80/12/1077718012.db2.gz NVQJNYFLQGIZOO-ZDUSSCGKSA-N 1 2 410.396 2.590 20 0 HFADLO CC/C(=C\C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(OC)cc1 ZINC000746838716 1077723359 /nfs/dbraw/zinc/72/33/59/1077723359.db2.gz AFZDKWYHOIGWJT-VHEBQXMUSA-N 1 2 422.529 2.739 20 0 HFADLO Cc1c(C[S@@](C)=O)cccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792183361 1077737307 /nfs/dbraw/zinc/73/73/07/1077737307.db2.gz FVLCLXPFGSJLCY-GDLZYMKVSA-N 1 2 423.579 2.755 20 0 HFADLO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc(Cl)c1F ZINC000792210606 1077765688 /nfs/dbraw/zinc/76/56/88/1077765688.db2.gz ZSRPFSWPBATSDV-AWEZNQCLSA-N 1 2 424.860 2.632 20 0 HFADLO Cn1cc(-c2cc(CNc3nc[nH+]c4cc(N5CCOCC5)ccc43)ccn2)cn1 ZINC001170119031 1077767099 /nfs/dbraw/zinc/76/70/99/1077767099.db2.gz MQGFTBWWSQEFKW-UHFFFAOYSA-N 1 2 401.474 2.874 20 0 HFADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789767426 1077768457 /nfs/dbraw/zinc/76/84/57/1077768457.db2.gz BQNNOGPKTXCJFL-HXUWFJFHSA-N 1 2 401.898 2.823 20 0 HFADLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789767426 1077768461 /nfs/dbraw/zinc/76/84/61/1077768461.db2.gz BQNNOGPKTXCJFL-HXUWFJFHSA-N 1 2 401.898 2.823 20 0 HFADLO C[C@H](NC(=O)c1nc(Br)cs1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000792344265 1077828022 /nfs/dbraw/zinc/82/80/22/1077828022.db2.gz KAJBRJRTSVITOI-JSGCOSHPSA-N 1 2 410.337 2.925 20 0 HFADLO C[C@H](NC(=O)c1nc(Br)cs1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000792344265 1077828032 /nfs/dbraw/zinc/82/80/32/1077828032.db2.gz KAJBRJRTSVITOI-JSGCOSHPSA-N 1 2 410.337 2.925 20 0 HFADLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792387170 1077829643 /nfs/dbraw/zinc/82/96/43/1077829643.db2.gz YSGGMTBXEIVJGB-CQSZACIVSA-N 1 2 401.438 2.862 20 0 HFADLO COCC[N@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@H]1CC[C@@H](C)C1 ZINC000792465146 1077859276 /nfs/dbraw/zinc/85/92/76/1077859276.db2.gz KHZJFUUPGTXSEU-KGLIPLIRSA-N 1 2 404.479 2.758 20 0 HFADLO COCC[N@@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)[C@H]1CC[C@@H](C)C1 ZINC000792465146 1077859278 /nfs/dbraw/zinc/85/92/78/1077859278.db2.gz KHZJFUUPGTXSEU-KGLIPLIRSA-N 1 2 404.479 2.758 20 0 HFADLO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000789960885 1077871026 /nfs/dbraw/zinc/87/10/26/1077871026.db2.gz WVYHHUDOOCGVBX-VBQJREDUSA-N 1 2 415.456 2.937 20 0 HFADLO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000789960885 1077871034 /nfs/dbraw/zinc/87/10/34/1077871034.db2.gz WVYHHUDOOCGVBX-VBQJREDUSA-N 1 2 415.456 2.937 20 0 HFADLO COc1cccc(/C=C(\C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)n2nnnc2C)c1 ZINC000746863772 1077877641 /nfs/dbraw/zinc/87/76/41/1077877641.db2.gz ASWJOXSZVPRUSL-RGVLZGJSSA-N 1 2 422.489 2.667 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000789974343 1077902604 /nfs/dbraw/zinc/90/26/04/1077902604.db2.gz WRMGMFRSDUWYLD-MJGOQNOKSA-N 1 2 409.571 2.783 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000789974343 1077902607 /nfs/dbraw/zinc/90/26/07/1077902607.db2.gz WRMGMFRSDUWYLD-MJGOQNOKSA-N 1 2 409.571 2.783 20 0 HFADLO COc1ccc(CCS(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000790044746 1077909702 /nfs/dbraw/zinc/90/97/02/1077909702.db2.gz YGHFKUTUWLYUQO-VQTJNVASSA-N 1 2 410.486 2.881 20 0 HFADLO COc1ccc(CCS(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000790044746 1077909703 /nfs/dbraw/zinc/90/97/03/1077909703.db2.gz YGHFKUTUWLYUQO-VQTJNVASSA-N 1 2 410.486 2.881 20 0 HFADLO CC(C)c1ccoc1C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000792615124 1077928945 /nfs/dbraw/zinc/92/89/45/1077928945.db2.gz IEIORGIINQCBLI-UHFFFAOYSA-N 1 2 400.475 2.708 20 0 HFADLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC001170365549 1077950864 /nfs/dbraw/zinc/95/08/64/1077950864.db2.gz OPGGJGXMWQICDW-MHZLTWQESA-N 1 2 407.454 2.904 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000790131595 1077952535 /nfs/dbraw/zinc/95/25/35/1077952535.db2.gz KGQFZTYAMXREFX-HTAPYJJXSA-N 1 2 408.498 2.934 20 0 HFADLO COC(=O)Nc1cc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc(C(F)(F)F)c1 ZINC000790132222 1077952656 /nfs/dbraw/zinc/95/26/56/1077952656.db2.gz MJDJZTYKKWPBKF-GFCCVEGCSA-N 1 2 403.401 2.676 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cn(C(C)(C)C)nc2Br)C[C@H](C)O1 ZINC000790126888 1077959577 /nfs/dbraw/zinc/95/95/77/1077959577.db2.gz LAXCJYUUCGQZDN-BETUJISGSA-N 1 2 401.349 2.582 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cn(C(C)(C)C)nc2Br)C[C@H](C)O1 ZINC000790126888 1077959578 /nfs/dbraw/zinc/95/95/78/1077959578.db2.gz LAXCJYUUCGQZDN-BETUJISGSA-N 1 2 401.349 2.582 20 0 HFADLO O=C(COC(=O)[C@@H]1CCC(=O)c2ccccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000792655989 1077960001 /nfs/dbraw/zinc/96/00/01/1077960001.db2.gz POTSLLBJEAQJKT-LJQANCHMSA-N 1 2 412.511 2.696 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2nc(NCc3ccco3)ncc2Cl)C[C@H](C)O1 ZINC000790127100 1077960021 /nfs/dbraw/zinc/96/00/21/1077960021.db2.gz MYWNCWNIZOPVCX-OKILXGFUSA-N 1 2 407.902 2.516 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2nc(NCc3ccco3)ncc2Cl)C[C@H](C)O1 ZINC000790127100 1077960022 /nfs/dbraw/zinc/96/00/22/1077960022.db2.gz MYWNCWNIZOPVCX-OKILXGFUSA-N 1 2 407.902 2.516 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccsc3NC(=O)c3ccco3)cc2C1 ZINC000790155411 1077960757 /nfs/dbraw/zinc/96/07/57/1077960757.db2.gz SQEPGAQPZCKMPB-UHFFFAOYSA-N 1 2 424.482 2.689 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccsc3NC(=O)c3ccco3)cc2C1 ZINC000790155411 1077960758 /nfs/dbraw/zinc/96/07/58/1077960758.db2.gz SQEPGAQPZCKMPB-UHFFFAOYSA-N 1 2 424.482 2.689 20 0 HFADLO CCOC(=O)CC[N@H+](Cn1c(=O)oc2cc(F)c(Br)cc21)C1CC1 ZINC000792706137 1077979011 /nfs/dbraw/zinc/97/90/11/1077979011.db2.gz OQVYMNCOTCIEOR-UHFFFAOYSA-N 1 2 401.232 2.871 20 0 HFADLO CCOC(=O)CC[N@@H+](Cn1c(=O)oc2cc(F)c(Br)cc21)C1CC1 ZINC000792706137 1077979013 /nfs/dbraw/zinc/97/90/13/1077979013.db2.gz OQVYMNCOTCIEOR-UHFFFAOYSA-N 1 2 401.232 2.871 20 0 HFADLO CN(C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(F)cc2)C1)C(=O)OC(C)(C)C ZINC000790280010 1077983675 /nfs/dbraw/zinc/98/36/75/1077983675.db2.gz HFAZNDAHLBSBLL-HNNXBMFYSA-N 1 2 400.516 2.788 20 0 HFADLO CN(C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)C1)C(=O)OC(C)(C)C ZINC000790280010 1077983677 /nfs/dbraw/zinc/98/36/77/1077983677.db2.gz HFAZNDAHLBSBLL-HNNXBMFYSA-N 1 2 400.516 2.788 20 0 HFADLO O=C(NCCO)C1CC[NH+](Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000792787894 1077991572 /nfs/dbraw/zinc/99/15/72/1077991572.db2.gz UAWDZSQNDQLETC-UHFFFAOYSA-N 1 2 409.246 2.788 20 0 HFADLO C[C@@H]1C[N@H+](CCNC(=O)N(C)Cc2ccc(Br)cc2Cl)CCO1 ZINC000790270990 1077991636 /nfs/dbraw/zinc/99/16/36/1077991636.db2.gz XIZDRMYHBDNSQH-GFCCVEGCSA-N 1 2 404.736 2.965 20 0 HFADLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccc(Br)cc2Cl)CCO1 ZINC000790270990 1077991639 /nfs/dbraw/zinc/99/16/39/1077991639.db2.gz XIZDRMYHBDNSQH-GFCCVEGCSA-N 1 2 404.736 2.965 20 0 HFADLO CC[N@@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000792771533 1077997659 /nfs/dbraw/zinc/99/76/59/1077997659.db2.gz ZMGHGULSCLWVAA-KKXDTOCCSA-N 1 2 404.935 2.960 20 0 HFADLO CC[N@H+]1CC[C@H](NS(=O)(=O)C[C@H]2CCCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000792771533 1077997662 /nfs/dbraw/zinc/99/76/62/1077997662.db2.gz ZMGHGULSCLWVAA-KKXDTOCCSA-N 1 2 404.935 2.960 20 0 HFADLO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1nnnn1C1CC1 ZINC000790330348 1077998612 /nfs/dbraw/zinc/99/86/12/1077998612.db2.gz DPWAKKNLSFHAPH-DOMZBBRYSA-N 1 2 421.908 2.825 20 0 HFADLO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1nnnn1C1CC1 ZINC000790330348 1077998614 /nfs/dbraw/zinc/99/86/14/1077998614.db2.gz DPWAKKNLSFHAPH-DOMZBBRYSA-N 1 2 421.908 2.825 20 0 HFADLO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1nnnn1C1CC1 ZINC000790330349 1077998669 /nfs/dbraw/zinc/99/86/69/1077998669.db2.gz DPWAKKNLSFHAPH-IUODEOHRSA-N 1 2 421.908 2.825 20 0 HFADLO C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1nnnn1C1CC1 ZINC000790330349 1077998673 /nfs/dbraw/zinc/99/86/73/1077998673.db2.gz DPWAKKNLSFHAPH-IUODEOHRSA-N 1 2 421.908 2.825 20 0 HFADLO CC[C@H](C)n1ncc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC000790343324 1078007948 /nfs/dbraw/zinc/00/79/48/1078007948.db2.gz AEPDYUXSTXSKEB-INIZCTEOSA-N 1 2 407.559 2.835 20 0 HFADLO C[C@@]12CC[N@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)C[C@@H]1C2(Cl)Cl ZINC000792905340 1078020345 /nfs/dbraw/zinc/02/03/45/1078020345.db2.gz INLSDWCFKZUAEQ-WMLDXEAASA-N 1 2 414.289 2.622 20 0 HFADLO C[C@@]12CC[N@@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)C[C@@H]1C2(Cl)Cl ZINC000792905340 1078020349 /nfs/dbraw/zinc/02/03/49/1078020349.db2.gz INLSDWCFKZUAEQ-WMLDXEAASA-N 1 2 414.289 2.622 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)ccc1Cl ZINC000790461807 1078027536 /nfs/dbraw/zinc/02/75/36/1078027536.db2.gz XLRYNCHNOMSSIW-INIZCTEOSA-N 1 2 422.934 2.674 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)ccc1Cl ZINC000790461807 1078027541 /nfs/dbraw/zinc/02/75/41/1078027541.db2.gz XLRYNCHNOMSSIW-INIZCTEOSA-N 1 2 422.934 2.674 20 0 HFADLO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000792961397 1078036424 /nfs/dbraw/zinc/03/64/24/1078036424.db2.gz XJDULPGRXOWCOD-CQSZACIVSA-N 1 2 419.353 2.786 20 0 HFADLO Cn1cc([C@H]2CSCC[N@@H+]2Cn2nc(Br)c(=O)c3ccccc32)cn1 ZINC000790470991 1078038875 /nfs/dbraw/zinc/03/88/75/1078038875.db2.gz GTHDEIKMOFZZBF-OAHLLOKOSA-N 1 2 420.336 2.640 20 0 HFADLO Cn1cc([C@H]2CSCC[N@H+]2Cn2nc(Br)c(=O)c3ccccc32)cn1 ZINC000790470991 1078038878 /nfs/dbraw/zinc/03/88/78/1078038878.db2.gz GTHDEIKMOFZZBF-OAHLLOKOSA-N 1 2 420.336 2.640 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2nnnn2C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000790474272 1078039793 /nfs/dbraw/zinc/03/97/93/1078039793.db2.gz RXGABTKTIMHSEA-PHEKWQANSA-N 1 2 423.443 2.621 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2nnnn2C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000790474272 1078039798 /nfs/dbraw/zinc/03/97/98/1078039798.db2.gz RXGABTKTIMHSEA-PHEKWQANSA-N 1 2 423.443 2.621 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000806259850 1079526207 /nfs/dbraw/zinc/52/62/07/1079526207.db2.gz HNBMLXSTMRNYST-APWZRJJASA-N 1 2 404.511 2.822 20 0 HFADLO COC(=O)N1CCC(CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000806260333 1079526759 /nfs/dbraw/zinc/52/67/59/1079526759.db2.gz OUNAHNGWQRPRMJ-MRXNPFEDSA-N 1 2 404.511 2.680 20 0 HFADLO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000806303415 1079556849 /nfs/dbraw/zinc/55/68/49/1079556849.db2.gz NNZNZOVBVTXHHW-RTBURBONSA-N 1 2 424.586 2.530 20 0 HFADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)C3(C)CCCC3)CC2)cc1OC ZINC000806316283 1079568484 /nfs/dbraw/zinc/56/84/84/1079568484.db2.gz UFVYRQWFZDFKFB-UHFFFAOYSA-N 1 2 418.534 2.780 20 0 HFADLO COc1ccc(F)c(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000806342333 1079613874 /nfs/dbraw/zinc/61/38/74/1079613874.db2.gz IPOUHDAXHFUFDJ-HNNXBMFYSA-N 1 2 422.501 2.993 20 0 HFADLO Cn1cccc1C(=O)C(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000806344169 1079615712 /nfs/dbraw/zinc/61/57/12/1079615712.db2.gz BWARDWLELCJCBO-UHFFFAOYSA-N 1 2 402.498 2.646 20 0 HFADLO Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1F ZINC000806350111 1079621851 /nfs/dbraw/zinc/62/18/51/1079621851.db2.gz ZVTZWDQXPHIRJK-GOSISDBHSA-N 1 2 420.529 2.971 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCc3cccc(F)c3)CC2)C1 ZINC000806366853 1079653464 /nfs/dbraw/zinc/65/34/64/1079653464.db2.gz FJGYCTPHBCNKNU-SFHVURJKSA-N 1 2 406.502 2.662 20 0 HFADLO CCOc1cccc(NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000806426069 1079671287 /nfs/dbraw/zinc/67/12/87/1079671287.db2.gz XFHDCYAXQGGBKA-INIZCTEOSA-N 1 2 419.526 2.639 20 0 HFADLO CC(=O)OC(C)(C)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000806501826 1079752904 /nfs/dbraw/zinc/75/29/04/1079752904.db2.gz GMCDPBBMANGBMD-UHFFFAOYSA-N 1 2 414.481 2.505 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NC[C@H]3Cc4ccccc43)CC2)C1 ZINC000806506653 1079757816 /nfs/dbraw/zinc/75/78/16/1079757816.db2.gz BYKXEOWAAQGPFB-RTBURBONSA-N 1 2 414.550 2.663 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H]3Cc4ccccc43)C2)CC1 ZINC000806507718 1079758812 /nfs/dbraw/zinc/75/88/12/1079758812.db2.gz SWPASSOJGIQYTO-RBUKOAKNSA-N 1 2 414.550 2.663 20 0 HFADLO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000806481949 1079767921 /nfs/dbraw/zinc/76/79/21/1079767921.db2.gz LKCRVQZCQINQNH-NRFANRHFSA-N 1 2 423.517 2.711 20 0 HFADLO CN(C)S(=O)(=O)c1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000806543058 1079781472 /nfs/dbraw/zinc/78/14/72/1079781472.db2.gz HPZDSXKUBMAWRT-UHFFFAOYSA-N 1 2 417.466 2.583 20 0 HFADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000806528584 1079802578 /nfs/dbraw/zinc/80/25/78/1079802578.db2.gz GMRUOOUOGYMQGZ-BKTGTZMESA-N 1 2 404.461 2.810 20 0 HFADLO CC(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000806528584 1079802586 /nfs/dbraw/zinc/80/25/86/1079802586.db2.gz GMRUOOUOGYMQGZ-BKTGTZMESA-N 1 2 404.461 2.810 20 0 HFADLO CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000806847836 1080031697 /nfs/dbraw/zinc/03/16/97/1080031697.db2.gz NAQWUWAEQCSBBG-UHFFFAOYSA-N 1 2 413.493 2.726 20 0 HFADLO CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000806847836 1080031706 /nfs/dbraw/zinc/03/17/06/1080031706.db2.gz NAQWUWAEQCSBBG-UHFFFAOYSA-N 1 2 413.493 2.726 20 0 HFADLO CS[C@@H]1CC[C@H](NC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000806876424 1080076072 /nfs/dbraw/zinc/07/60/72/1080076072.db2.gz VTYHYXABOJRVQL-YESZJQIVSA-N 1 2 412.600 2.607 20 0 HFADLO Cc1cnc([C@@H](C)NC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC000806923533 1080091526 /nfs/dbraw/zinc/09/15/26/1080091526.db2.gz MHMFFBGQDOGDJY-HZPDHXFCSA-N 1 2 423.583 2.849 20 0 HFADLO COC1CCC(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000806923560 1080091636 /nfs/dbraw/zinc/09/16/36/1080091636.db2.gz MZERHGJLPWMCBR-JLAWEPINSA-N 1 2 424.586 2.528 20 0 HFADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807045938 1080202775 /nfs/dbraw/zinc/20/27/75/1080202775.db2.gz KJBVINVADHSDPQ-IPELMVKDSA-N 1 2 424.492 2.972 20 0 HFADLO CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807045938 1080202781 /nfs/dbraw/zinc/20/27/81/1080202781.db2.gz KJBVINVADHSDPQ-IPELMVKDSA-N 1 2 424.492 2.972 20 0 HFADLO CC(C)CSCCNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807027373 1080222110 /nfs/dbraw/zinc/22/21/10/1080222110.db2.gz CGJXDMYJULKJDA-KRWDZBQOSA-N 1 2 414.616 2.712 20 0 HFADLO CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807056645 1080239506 /nfs/dbraw/zinc/23/95/06/1080239506.db2.gz GWQKCJYLLSLDSJ-DOPJRALCSA-N 1 2 413.534 2.863 20 0 HFADLO CSCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807056645 1080239517 /nfs/dbraw/zinc/23/95/17/1080239517.db2.gz GWQKCJYLLSLDSJ-DOPJRALCSA-N 1 2 413.534 2.863 20 0 HFADLO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc(Br)ncc1Cl ZINC000807080096 1080261364 /nfs/dbraw/zinc/26/13/64/1080261364.db2.gz NSFDKLNNCQSOAC-UONOGXRCSA-N 1 2 402.720 2.871 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCCC[C@H]3CCCCO3)CC2)C1 ZINC000807112077 1080289341 /nfs/dbraw/zinc/28/93/41/1080289341.db2.gz PZZNBKGGBZXPID-RBUKOAKNSA-N 1 2 424.586 2.672 20 0 HFADLO CSCCCCCNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807146263 1080302978 /nfs/dbraw/zinc/30/29/78/1080302978.db2.gz XYVDEVICWMAPDK-QGZVFWFLSA-N 1 2 414.616 2.856 20 0 HFADLO CSC1(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCC1 ZINC000807187313 1080381275 /nfs/dbraw/zinc/38/12/75/1080381275.db2.gz BCUPKKWDSLZNAR-INIZCTEOSA-N 1 2 412.600 2.609 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 ZINC000807284147 1080443059 /nfs/dbraw/zinc/44/30/59/1080443059.db2.gz NQWYXAVDDBZFCQ-SFHVURJKSA-N 1 2 423.860 2.847 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000807284110 1080443117 /nfs/dbraw/zinc/44/31/17/1080443117.db2.gz NDPXEOADUFSCGW-FQEVSTJZSA-N 1 2 415.453 2.707 20 0 HFADLO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CC(=O)N1CCO[C@H](C)C1)CC2 ZINC000807259029 1080465399 /nfs/dbraw/zinc/46/53/99/1080465399.db2.gz FVTZYOWZNLNUEO-QRQCRPRQSA-N 1 2 416.543 2.960 20 0 HFADLO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CC(=O)N1CCO[C@H](C)C1)CC2 ZINC000807259029 1080465405 /nfs/dbraw/zinc/46/54/05/1080465405.db2.gz FVTZYOWZNLNUEO-QRQCRPRQSA-N 1 2 416.543 2.960 20 0 HFADLO CC[C@H](NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)c1ccc(OC)c(OC)c1 ZINC000807312810 1080506125 /nfs/dbraw/zinc/50/61/25/1080506125.db2.gz TVKVWLUBUSMEDZ-HNNXBMFYSA-N 1 2 400.479 2.679 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3cnn(CCF)c3)cc2Br)CC1 ZINC000807362964 1080524529 /nfs/dbraw/zinc/52/45/29/1080524529.db2.gz SYQLVDMASQTOHR-UHFFFAOYSA-N 1 2 410.291 2.619 20 0 HFADLO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1cnc(C2OCCO2)s1 ZINC000807410977 1080606126 /nfs/dbraw/zinc/60/61/26/1080606126.db2.gz BEZIDUGXHLNFLV-HNNXBMFYSA-N 1 2 405.545 2.536 20 0 HFADLO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1cnc(C2OCCO2)s1 ZINC000807410977 1080606129 /nfs/dbraw/zinc/60/61/29/1080606129.db2.gz BEZIDUGXHLNFLV-HNNXBMFYSA-N 1 2 405.545 2.536 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807518308 1080771014 /nfs/dbraw/zinc/77/10/14/1080771014.db2.gz SIRNDWSMYYEKTF-RBUKOAKNSA-N 1 2 405.420 2.590 20 0 HFADLO Cc1cccc(F)c1CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807518308 1080771022 /nfs/dbraw/zinc/77/10/22/1080771022.db2.gz SIRNDWSMYYEKTF-RBUKOAKNSA-N 1 2 405.420 2.590 20 0 HFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)NCc1c(C)cccc1F ZINC000807522034 1080774709 /nfs/dbraw/zinc/77/47/09/1080774709.db2.gz RPTXTYQRBISSRK-UHFFFAOYSA-N 1 2 412.509 2.910 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000807526142 1080778767 /nfs/dbraw/zinc/77/87/67/1080778767.db2.gz SINYJXWGCVSYCR-WOJBJXKFSA-N 1 2 411.506 2.889 20 0 HFADLO COc1ccc(N2C[C@H](NC(=O)Cn3c(C)[nH+]c4cc(F)c(F)cc43)CC2=O)cc1 ZINC001130988110 1080782371 /nfs/dbraw/zinc/78/23/71/1080782371.db2.gz AUHBWLCDCIKGSB-CYBMUJFWSA-N 1 2 414.412 2.553 20 0 HFADLO COC[C@]1(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCN1C(=O)OC(C)(C)C ZINC000807554672 1080805556 /nfs/dbraw/zinc/80/55/56/1080805556.db2.gz ZCWSLWRBNLIZAH-LAUBAEHRSA-N 1 2 421.542 2.646 20 0 HFADLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)C[C@H]1c1ccc(O)cc1 ZINC001170527597 1080812445 /nfs/dbraw/zinc/81/24/45/1080812445.db2.gz LMSZWBBIXKIHDF-UHOFOFEASA-N 1 2 404.413 2.886 20 0 HFADLO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)C[C@H]1c1ccc(O)cc1 ZINC001170527597 1080812448 /nfs/dbraw/zinc/81/24/48/1080812448.db2.gz LMSZWBBIXKIHDF-UHOFOFEASA-N 1 2 404.413 2.886 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2cc(Cl)ccc2n1 ZINC001164697973 719849852 /nfs/dbraw/zinc/84/98/52/719849852.db2.gz CWTJEODWRMXEAG-YWZLYKJASA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(C)cc2nc1Cl ZINC001164706852 719851721 /nfs/dbraw/zinc/85/17/21/719851721.db2.gz ZAQGPYGLAZJBBM-YCRPNKLZSA-N 1 2 418.925 2.824 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)c2cc(OC)ccc2n1 ZINC001164705140 719854609 /nfs/dbraw/zinc/85/46/09/719854609.db2.gz TVXKSEWASHGGLK-UZUQRXQVSA-N 1 2 413.518 2.785 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C(C)(C)C)n1 ZINC001164707144 719864382 /nfs/dbraw/zinc/86/43/82/719864382.db2.gz QUPABFDHKYVNBP-JLTOFOAXSA-N 1 2 410.946 2.660 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccc(F)cc2)ncn1 ZINC001164702892 719870775 /nfs/dbraw/zinc/87/07/75/719870775.db2.gz JGMAQVAVEOPSNX-PGRDOPGGSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(F)cc2)nn1 ZINC001164707157 719870815 /nfs/dbraw/zinc/87/08/15/719870815.db2.gz QURFCROKTCJSEB-XMSQKQJNSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(F)cc2)nn1 ZINC001164707151 719870973 /nfs/dbraw/zinc/87/09/73/719870973.db2.gz QURFCROKTCJSEB-AVRDEDQJSA-N 1 2 414.481 2.515 20 0 HFADLO CCc1ccc(-c2ccc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nn2)cc1 ZINC001164708530 719872188 /nfs/dbraw/zinc/87/21/88/719872188.db2.gz ZRVOEWZKEHCMEO-RDPSFJRHSA-N 1 2 424.545 2.939 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2F)nn1 ZINC001164708506 719872317 /nfs/dbraw/zinc/87/23/17/719872317.db2.gz ZPBXFYDSKIODDC-AOMKIAJQSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccnc1Oc1ccccc1 ZINC001164701233 719874599 /nfs/dbraw/zinc/87/45/99/719874599.db2.gz GELSBQUGYGLVMU-VGOFRKELSA-N 1 2 412.490 2.502 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C2CCC2)nc(Cl)c1C ZINC001164699109 719877860 /nfs/dbraw/zinc/87/78/60/719877860.db2.gz ADTLAHLPCMPEEW-IIBYNOLFSA-N 1 2 422.957 2.939 20 0 HFADLO CCc1nc(Cl)nc(Cl)c1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164701365 719878172 /nfs/dbraw/zinc/87/81/72/719878172.db2.gz NLEXBEQKJQRPCG-KPZWWZAWSA-N 1 2 417.337 2.579 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(C)cc4F)CC3)C2=O)cs1 ZINC001164824814 720358084 /nfs/dbraw/zinc/35/80/84/720358084.db2.gz MSVNCMXZPCGBON-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(C)cc4F)CC3)C2=O)cs1 ZINC001164824814 720358091 /nfs/dbraw/zinc/35/80/91/720358091.db2.gz MSVNCMXZPCGBON-UHFFFAOYSA-N 1 2 403.527 2.607 20 0 HFADLO Cc1cc(Cl)c(C)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164829252 720461850 /nfs/dbraw/zinc/46/18/50/720461850.db2.gz DULSIQHJIODMAM-QGZVFWFLSA-N 1 2 419.957 2.538 20 0 HFADLO FC(F)(c1nccc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164764489 721272461 /nfs/dbraw/zinc/27/24/61/721272461.db2.gz GWVRNELLJXUHRT-ZDUSSCGKSA-N 1 2 406.824 2.982 20 0 HFADLO FC(F)(c1ccc(Cl)nn1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767711 721273269 /nfs/dbraw/zinc/27/32/69/721273269.db2.gz SEJJSXHTKUVTKN-ZDUSSCGKSA-N 1 2 406.824 2.982 20 0 HFADLO F[C@@H](Oc1ccc(Cl)nn1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770014 721276394 /nfs/dbraw/zinc/27/63/94/721276394.db2.gz RUQSDKIMKMGXCZ-FZKQIMNGSA-N 1 2 404.833 2.564 20 0 HFADLO FC(F)(Oc1cnc(Cl)cn1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164769032 721276913 /nfs/dbraw/zinc/27/69/13/721276913.db2.gz NINNGFVDCRFUDY-CYBMUJFWSA-N 1 2 422.823 2.862 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc(OCc3ccccc3)n1)C2 ZINC001165010409 721703811 /nfs/dbraw/zinc/70/38/11/721703811.db2.gz ICVGLWQESQZNIG-UHFFFAOYSA-N 1 2 407.522 2.898 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc(OCc3ccccc3)n1)C2 ZINC001165010409 721703821 /nfs/dbraw/zinc/70/38/21/721703821.db2.gz ICVGLWQESQZNIG-UHFFFAOYSA-N 1 2 407.522 2.898 20 0 HFADLO CCOC(=O)c1cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c(Cl)c1 ZINC001165011785 721705315 /nfs/dbraw/zinc/70/53/15/721705315.db2.gz YUAOPUGVHRTOHZ-UHFFFAOYSA-N 1 2 406.918 2.754 20 0 HFADLO CCOC(=O)c1cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(Cl)c1 ZINC001165011785 721705319 /nfs/dbraw/zinc/70/53/19/721705319.db2.gz YUAOPUGVHRTOHZ-UHFFFAOYSA-N 1 2 406.918 2.754 20 0 HFADLO COc1cccc(-c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)c1 ZINC001165008329 721714338 /nfs/dbraw/zinc/71/43/38/721714338.db2.gz FAZKIZVANWJZIN-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO COc1cccc(-c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)c1 ZINC001165008329 721714341 /nfs/dbraw/zinc/71/43/41/721714341.db2.gz FAZKIZVANWJZIN-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO Cc1nc(-c2ccncc2)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1C ZINC001165011298 721716880 /nfs/dbraw/zinc/71/68/80/721716880.db2.gz OQPAFXLDKPHUET-UHFFFAOYSA-N 1 2 406.538 2.997 20 0 HFADLO Cc1nc(-c2ccncc2)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1C ZINC001165011298 721716883 /nfs/dbraw/zinc/71/68/83/721716883.db2.gz OQPAFXLDKPHUET-UHFFFAOYSA-N 1 2 406.538 2.997 20 0 HFADLO Clc1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913289 721769039 /nfs/dbraw/zinc/76/90/39/721769039.db2.gz VRUAIWVHWPUEQF-LJQANCHMSA-N 1 2 409.317 2.891 20 0 HFADLO Clc1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913289 721769044 /nfs/dbraw/zinc/76/90/44/721769044.db2.gz VRUAIWVHWPUEQF-LJQANCHMSA-N 1 2 409.317 2.891 20 0 HFADLO CCSc1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913709 721799182 /nfs/dbraw/zinc/79/91/82/721799182.db2.gz GHGIIAXNOPIMEO-OAQYLSRUSA-N 1 2 400.548 2.696 20 0 HFADLO CCSc1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913709 721799184 /nfs/dbraw/zinc/79/91/84/721799184.db2.gz GHGIIAXNOPIMEO-OAQYLSRUSA-N 1 2 400.548 2.696 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c2COC3(C)C)CC1 ZINC001164917468 721814028 /nfs/dbraw/zinc/81/40/28/721814028.db2.gz OWPDESRWMMRWKN-UHFFFAOYSA-N 1 2 402.930 2.841 20 0 HFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 ZINC001164918470 721820397 /nfs/dbraw/zinc/82/03/97/721820397.db2.gz DSGANIPHGTZGIV-UHFFFAOYSA-N 1 2 415.545 2.973 20 0 HFADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(C(C)C)[nH+]c(C)n4)CCO3)C2)cs1 ZINC001164918568 721823505 /nfs/dbraw/zinc/82/35/05/721823505.db2.gz FYWYYOJNXWGBJX-NRFANRHFSA-N 1 2 417.579 2.781 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164948298 721973714 /nfs/dbraw/zinc/97/37/14/721973714.db2.gz XGAYFIFPRFKUNJ-FQEVSTJZSA-N 1 2 418.900 2.834 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN([C@H](F)Oc1cccc(Cl)n1)CC2 ZINC001164948298 721973718 /nfs/dbraw/zinc/97/37/18/721973718.db2.gz XGAYFIFPRFKUNJ-FQEVSTJZSA-N 1 2 418.900 2.834 20 0 HFADLO COc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ccc1Cl ZINC001164947671 721976976 /nfs/dbraw/zinc/97/69/76/721976976.db2.gz QEGYHVJWVYEWTA-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO COc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ccc1Cl ZINC001164947671 721976978 /nfs/dbraw/zinc/97/69/78/721976978.db2.gz QEGYHVJWVYEWTA-UHFFFAOYSA-N 1 2 400.910 2.715 20 0 HFADLO O=C([C@@H](O)Cc1ccccc1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000793009034 1078047489 /nfs/dbraw/zinc/04/74/89/1078047489.db2.gz JANHDAOPVWCJPC-IBGZPJMESA-N 1 2 408.420 2.833 20 0 HFADLO CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)c1cccc(Cl)c1 ZINC001170138777 1078048385 /nfs/dbraw/zinc/04/83/85/1078048385.db2.gz FDWFNISYKYBBQA-SJORKVTESA-N 1 2 419.913 2.802 20 0 HFADLO O=C(CCNC(=O)c1cc2ccccc2c(Cl)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000772757333 1078050135 /nfs/dbraw/zinc/05/01/35/1078050135.db2.gz MZXYBEQPNDSELM-UHFFFAOYSA-N 1 2 423.904 2.752 20 0 HFADLO C[C@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1nnnn1C1CC1 ZINC000790534542 1078053070 /nfs/dbraw/zinc/05/30/70/1078053070.db2.gz QPMTXNMVDAWXGL-BLLLJJGKSA-N 1 2 408.428 2.869 20 0 HFADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)Nc1cccc(F)n1 ZINC000793057466 1078068392 /nfs/dbraw/zinc/06/83/92/1078068392.db2.gz LIJOQNBCKDTFQH-MAUKXSAKSA-N 1 2 413.497 2.622 20 0 HFADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)Nc1cccc(F)n1 ZINC000793057466 1078068397 /nfs/dbraw/zinc/06/83/97/1078068397.db2.gz LIJOQNBCKDTFQH-MAUKXSAKSA-N 1 2 413.497 2.622 20 0 HFADLO CN(C[C@@H]1C[C@H](F)CN1C(=O)NCCc1cn2c([nH+]1)CCCC2)C(=O)OC(C)(C)C ZINC000790668514 1078085195 /nfs/dbraw/zinc/08/51/95/1078085195.db2.gz WRSRPRHJGQHQMJ-RDJZCZTQSA-N 1 2 423.533 2.751 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000793244094 1078108869 /nfs/dbraw/zinc/10/88/69/1078108869.db2.gz XWPRLSCUTXAEBG-UHFFFAOYSA-N 1 2 403.438 2.658 20 0 HFADLO CC(C)(C)OC(=O)N1CC=C(CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000793412884 1078159890 /nfs/dbraw/zinc/15/98/90/1078159890.db2.gz LMKAKMUZVTXHQB-UHFFFAOYSA-N 1 2 415.538 2.871 20 0 HFADLO COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)CCc2c[nH+]cn2C)cc1 ZINC000793462573 1078179909 /nfs/dbraw/zinc/17/99/09/1078179909.db2.gz FVWSIAWOXXJSPA-UHFFFAOYSA-N 1 2 420.513 2.997 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)OCCCc2cc(CC)no2)[C@@H]1c1c[nH+]cn1C ZINC000793463887 1078179960 /nfs/dbraw/zinc/17/99/60/1078179960.db2.gz XUMKQIAOKQLCTF-YLJYHZDGSA-N 1 2 402.495 2.836 20 0 HFADLO O=C(NCCCNc1cccc[nH+]1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793530237 1078212149 /nfs/dbraw/zinc/21/21/49/1078212149.db2.gz PNBQCBWRVGOEHM-OALUTQOASA-N 1 2 419.485 2.592 20 0 HFADLO C[N@@H+]1CCN(Cc2cnc(-c3ccccn3)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603487 1078222268 /nfs/dbraw/zinc/22/22/68/1078222268.db2.gz IWRXZHYRAPFHGP-HNNXBMFYSA-N 1 2 403.552 2.846 20 0 HFADLO C[N@H+]1CCN(Cc2cnc(-c3ccccn3)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603487 1078222274 /nfs/dbraw/zinc/22/22/74/1078222274.db2.gz IWRXZHYRAPFHGP-HNNXBMFYSA-N 1 2 403.552 2.846 20 0 HFADLO FC(F)(F)Cn1c(=S)n(C[NH+]2CCC(C3CC3)CC2)nc1N1CCOCC1 ZINC000793620564 1078230137 /nfs/dbraw/zinc/23/01/37/1078230137.db2.gz WZVYRKQMTSKUDQ-UHFFFAOYSA-N 1 2 405.490 2.892 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000793622584 1078230565 /nfs/dbraw/zinc/23/05/65/1078230565.db2.gz VZMWKYQHMXYONF-KDURUIRLSA-N 1 2 419.485 2.708 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000793622584 1078230568 /nfs/dbraw/zinc/23/05/68/1078230568.db2.gz VZMWKYQHMXYONF-KDURUIRLSA-N 1 2 419.485 2.708 20 0 HFADLO CC(C)(C)OC(=O)N1CCCc2cc(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)ccc21 ZINC000793646173 1078240260 /nfs/dbraw/zinc/24/02/60/1078240260.db2.gz PWKAOSQFRJEWJP-IBGZPJMESA-N 1 2 415.534 2.921 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NC[C@@H](O)c2ccccc2Cl)[C@@H]1c1c[nH+]cn1C ZINC000793662019 1078243758 /nfs/dbraw/zinc/24/37/58/1078243758.db2.gz FYVQVODCXJIMGU-XFQXTVEOSA-N 1 2 418.925 2.613 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N[C@@H](C)C[C@@H](O)c2cccs2)[C@@H]1c1c[nH+]cn1C ZINC000793723858 1078266817 /nfs/dbraw/zinc/26/68/17/1078266817.db2.gz PETFQUUYIKJNLU-DKYLXPRQSA-N 1 2 418.563 2.800 20 0 HFADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCN(C)C(=O)OCc1ccccc1 ZINC000793689801 1078268990 /nfs/dbraw/zinc/26/89/90/1078268990.db2.gz PXZVXCDHYLHOEV-UHFFFAOYSA-N 1 2 412.490 2.824 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)N[C@](C)(C4CCCC4)C3=O)CC[C@@H]21 ZINC000793704913 1078276115 /nfs/dbraw/zinc/27/61/15/1078276115.db2.gz KCAJCZPHYPCETA-ULYRPOKDSA-N 1 2 420.554 2.776 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)N[C@](C)(C4CCCC4)C3=O)CC[C@@H]21 ZINC000793704913 1078276118 /nfs/dbraw/zinc/27/61/18/1078276118.db2.gz KCAJCZPHYPCETA-ULYRPOKDSA-N 1 2 420.554 2.776 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000793744020 1078287905 /nfs/dbraw/zinc/28/79/05/1078287905.db2.gz FIAQXIIEFSFUEZ-UNMCSNQZSA-N 1 2 418.497 2.773 20 0 HFADLO CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000793737339 1078285420 /nfs/dbraw/zinc/28/54/20/1078285420.db2.gz ZNSXASSRGNXIGF-NEWSRXKRSA-N 1 2 409.571 2.782 20 0 HFADLO CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000793737339 1078285424 /nfs/dbraw/zinc/28/54/24/1078285424.db2.gz ZNSXASSRGNXIGF-NEWSRXKRSA-N 1 2 409.571 2.782 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000793804945 1078304765 /nfs/dbraw/zinc/30/47/65/1078304765.db2.gz BMVCTSRHQZTFEX-CEXWTWQISA-N 1 2 407.555 2.630 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000793804945 1078304772 /nfs/dbraw/zinc/30/47/72/1078304772.db2.gz BMVCTSRHQZTFEX-CEXWTWQISA-N 1 2 407.555 2.630 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000793780374 1078309690 /nfs/dbraw/zinc/30/96/90/1078309690.db2.gz CHENBINYMFFSDZ-SFTDATJTSA-N 1 2 422.460 2.664 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000793834787 1078310467 /nfs/dbraw/zinc/31/04/67/1078310467.db2.gz ODPIESHJMUUXSS-UHFFFAOYSA-N 1 2 400.429 2.965 20 0 HFADLO CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000793811097 1078314655 /nfs/dbraw/zinc/31/46/55/1078314655.db2.gz FIAQEFWPBKPEDH-GOSISDBHSA-N 1 2 409.571 2.783 20 0 HFADLO CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000793811097 1078314658 /nfs/dbraw/zinc/31/46/58/1078314658.db2.gz FIAQEFWPBKPEDH-GOSISDBHSA-N 1 2 409.571 2.783 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCCCOc2ccc(Cl)cc2C)c1C ZINC000793860553 1078325739 /nfs/dbraw/zinc/32/57/39/1078325739.db2.gz BFUXUCCGMRYNMK-UHFFFAOYSA-N 1 2 419.909 2.870 20 0 HFADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@H](O)C[C@@H](O)c2ccccc2)c1 ZINC001170441986 1078369105 /nfs/dbraw/zinc/36/91/05/1078369105.db2.gz CABILLPYMJOOHW-UIAACRFSSA-N 1 2 424.335 2.908 20 0 HFADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@H](O)C[C@@H](O)c2ccccc2)c1 ZINC001170441986 1078369109 /nfs/dbraw/zinc/36/91/09/1078369109.db2.gz CABILLPYMJOOHW-UIAACRFSSA-N 1 2 424.335 2.908 20 0 HFADLO CON(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)cc1 ZINC000794214676 1078394330 /nfs/dbraw/zinc/39/43/30/1078394330.db2.gz XAUMMSVSUMZOQU-UHFFFAOYSA-N 1 2 400.460 2.819 20 0 HFADLO CCNc1nc(N2CCC(CNC(=O)OC(C)(C)C)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000804399520 1078464129 /nfs/dbraw/zinc/46/41/29/1078464129.db2.gz VSZPDJOCAATHQS-UHFFFAOYSA-N 1 2 407.563 2.677 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804435419 1078478023 /nfs/dbraw/zinc/47/80/23/1078478023.db2.gz DKSZQCCNCHYCFG-QXAKKESOSA-N 1 2 403.523 2.574 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cnn(-c2ccccc2)c1Br ZINC000804439082 1078484175 /nfs/dbraw/zinc/48/41/75/1078484175.db2.gz VKRQMAQFMVEZDX-GOEBONIOSA-N 1 2 419.323 2.570 20 0 HFADLO Cc1nc(SC(F)(F)F)sc1CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804438262 1078483165 /nfs/dbraw/zinc/48/31/65/1078483165.db2.gz LZKMAVZEPPJKKJ-CMPLNLGQSA-N 1 2 409.499 2.928 20 0 HFADLO C[C@H]1[C@H](CO)CCCN1C(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129772803 1078483212 /nfs/dbraw/zinc/48/32/12/1078483212.db2.gz FUKXGTMZQCZLRV-ICSRJNTNSA-N 1 2 419.566 2.633 20 0 HFADLO C[C@H]1[C@H](CO)CCCN1C(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001129772803 1078483213 /nfs/dbraw/zinc/48/32/13/1078483213.db2.gz FUKXGTMZQCZLRV-ICSRJNTNSA-N 1 2 419.566 2.633 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804438456 1078503908 /nfs/dbraw/zinc/50/39/08/1078503908.db2.gz OZVXODBICCSDSM-HOJAQTOUSA-N 1 2 417.550 2.964 20 0 HFADLO CC(=O)c1ccc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c(S(N)(=O)=O)c1 ZINC000804505634 1078541874 /nfs/dbraw/zinc/54/18/74/1078541874.db2.gz GDPOKZBSHGHJBI-UHFFFAOYSA-N 1 2 416.547 2.684 20 0 HFADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)c2ccccc2Cl)C1 ZINC000804519632 1078560215 /nfs/dbraw/zinc/56/02/15/1078560215.db2.gz AUSVHSJQWLUKOA-OAHLLOKOSA-N 1 2 402.926 2.874 20 0 HFADLO CCNc1nc(N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)nc(NC(C)(C)C)[nH+]1 ZINC000804563564 1078599303 /nfs/dbraw/zinc/59/93/03/1078599303.db2.gz SPZPRJQTQISMKZ-UONOGXRCSA-N 1 2 407.563 2.818 20 0 HFADLO Cc1nc2c(cnn2C)c(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000804779362 1078604574 /nfs/dbraw/zinc/60/45/74/1078604574.db2.gz BALMHRHCXNACMT-UHFFFAOYSA-N 1 2 416.283 2.931 20 0 HFADLO Cc1cccnc1/C=C\C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760234 1078610057 /nfs/dbraw/zinc/61/00/57/1078610057.db2.gz IEOJWUUTVNCEHJ-JTHGQSKGSA-N 1 2 400.523 2.557 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCOc4ccccc43)C2)CC1 ZINC000804759978 1078610586 /nfs/dbraw/zinc/61/05/86/1078610586.db2.gz DHUXKJOSNWNKDP-IEBWSBKVSA-N 1 2 415.534 2.706 20 0 HFADLO Cn1ccc2c1cccc2C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761076 1078612011 /nfs/dbraw/zinc/61/20/11/1078612011.db2.gz VJUYSWSQFJCWCT-QGZVFWFLSA-N 1 2 412.534 2.946 20 0 HFADLO Cc1cc(C)n([C@@H](C)CC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804760775 1078613109 /nfs/dbraw/zinc/61/31/09/1078613109.db2.gz ONLSIYPFYIYGFR-RBUKOAKNSA-N 1 2 419.570 2.605 20 0 HFADLO COC[C@@]1(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000804789368 1078645225 /nfs/dbraw/zinc/64/52/25/1078645225.db2.gz HVQJBBUQUIVPDJ-QFIPXVFZSA-N 1 2 416.522 2.718 20 0 HFADLO CCC(=O)c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c(S(N)(=O)=O)c1 ZINC000804609588 1078654807 /nfs/dbraw/zinc/65/48/07/1078654807.db2.gz ILNNXERWVXGGKJ-UHFFFAOYSA-N 1 2 404.536 2.820 20 0 HFADLO CSCC[C@H](C(=O)NCc1c[nH+]c(C)cc1C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001129715430 1078670051 /nfs/dbraw/zinc/67/00/51/1078670051.db2.gz WLGNRYJTCPIYJN-OKZBNKHCSA-N 1 2 403.548 2.612 20 0 HFADLO Cc1ccc(-n2nc(Br)cc2C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC001129727406 1078676945 /nfs/dbraw/zinc/67/69/45/1078676945.db2.gz KZZKNQKCPSSRRP-UHFFFAOYSA-N 1 2 421.339 2.784 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3cccc(F)c3)C2)CC1 ZINC000804908755 1078730443 /nfs/dbraw/zinc/73/04/43/1078730443.db2.gz LGVHVQJIVYPDAV-GOSISDBHSA-N 1 2 406.502 2.662 20 0 HFADLO COc1ccc(CN2CC[C@@H](Nc3[nH+]cnc4c3cnn4C(C)(C)C)C2=O)c(OC)c1 ZINC000804855410 1078726320 /nfs/dbraw/zinc/72/63/20/1078726320.db2.gz QIJNMWHGBADXSA-QGZVFWFLSA-N 1 2 424.505 2.812 20 0 HFADLO O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000804905701 1078760059 /nfs/dbraw/zinc/76/00/59/1078760059.db2.gz CGVSLLMPGJUWSO-LJQANCHMSA-N 1 2 417.554 2.995 20 0 HFADLO CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000804977032 1078813127 /nfs/dbraw/zinc/81/31/27/1078813127.db2.gz OFDWOMWSMMZKQE-AWEZNQCLSA-N 1 2 424.535 2.616 20 0 HFADLO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F ZINC000804977032 1078813132 /nfs/dbraw/zinc/81/31/32/1078813132.db2.gz OFDWOMWSMMZKQE-AWEZNQCLSA-N 1 2 424.535 2.616 20 0 HFADLO COc1cc2ncn(CCCC(=O)NCc3cc(C)[nH+]c(C)c3)c(=O)c2cc1OC ZINC001130043324 1078845631 /nfs/dbraw/zinc/84/56/31/1078845631.db2.gz NRRZJAWDKXVBRN-UHFFFAOYSA-N 1 2 410.474 2.522 20 0 HFADLO CC(C)N(CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000805077019 1078907765 /nfs/dbraw/zinc/90/77/65/1078907765.db2.gz GSEHLLZAORMBFR-MSOLQXFVSA-N 1 2 412.575 2.527 20 0 HFADLO O=C(COCc1cccnc1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000805160782 1078951819 /nfs/dbraw/zinc/95/18/19/1078951819.db2.gz HZUSPFSTURBIEN-UHFFFAOYSA-N 1 2 409.408 2.841 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@]3(C)CCCS3)C2)CC1 ZINC000805199866 1078971971 /nfs/dbraw/zinc/97/19/71/1078971971.db2.gz GUQYCUSCKBRBDW-OXQOHEQNSA-N 1 2 412.600 2.609 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+](C)C)c(Cl)cc1Cl ZINC000747235151 1078980842 /nfs/dbraw/zinc/98/08/42/1078980842.db2.gz KEPPICJRWRUOPE-ZDUSSCGKSA-N 1 2 421.302 2.954 20 0 HFADLO Cc1ccsc1CCNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805254218 1078999237 /nfs/dbraw/zinc/99/92/37/1078999237.db2.gz HIPXMELLBJXHHF-QGZVFWFLSA-N 1 2 422.595 2.936 20 0 HFADLO COC(=O)/C=C/c1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000747235174 1078999834 /nfs/dbraw/zinc/99/98/34/1078999834.db2.gz KUDXIXGCRKXJLY-VSRDTVRMSA-N 1 2 418.515 2.971 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000805272417 1079003894 /nfs/dbraw/zinc/00/38/94/1079003894.db2.gz NAXSZMUCHCGNOB-SJORKVTESA-N 1 2 424.586 2.669 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCCC[C@@H]3CCCCO3)C2)CC1 ZINC000805281983 1079007316 /nfs/dbraw/zinc/00/73/16/1079007316.db2.gz IWESRBTZRAAOPO-MOPGFXCFSA-N 1 2 424.586 2.672 20 0 HFADLO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000747237107 1079032965 /nfs/dbraw/zinc/03/29/65/1079032965.db2.gz VUEFIACYZWWSEL-XFXZXTDPSA-N 1 2 414.527 2.688 20 0 HFADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCC(F)(F)Br)c1 ZINC000805246919 1079399475 /nfs/dbraw/zinc/39/94/75/1079399475.db2.gz SUPVEORXRBYXED-UHFFFAOYSA-N 1 2 401.211 2.629 20 0 HFADLO COC(=O)N1CCC(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000806213609 1079497609 /nfs/dbraw/zinc/49/76/09/1079497609.db2.gz VCDCBIAVSCNTEJ-IRXDYDNUSA-N 1 2 418.538 2.896 20 0 HFADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787333182 1076746131 /nfs/dbraw/zinc/74/61/31/1076746131.db2.gz WHQZYIUFGDDBPB-LFRPXUGBSA-N 1 2 424.476 2.602 20 0 HFADLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000787333182 1076746135 /nfs/dbraw/zinc/74/61/35/1076746135.db2.gz WHQZYIUFGDDBPB-LFRPXUGBSA-N 1 2 424.476 2.602 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)n[nH]2)C1 ZINC000787313323 1076758791 /nfs/dbraw/zinc/75/87/91/1076758791.db2.gz AFGROPSXHGJQGZ-HOTGVXAUSA-N 1 2 414.510 2.808 20 0 HFADLO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787351698 1076792314 /nfs/dbraw/zinc/79/23/14/1076792314.db2.gz GABNOLMXKRPIKB-JKSUJKDBSA-N 1 2 421.538 2.870 20 0 HFADLO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787351698 1076792318 /nfs/dbraw/zinc/79/23/18/1076792318.db2.gz GABNOLMXKRPIKB-JKSUJKDBSA-N 1 2 421.538 2.870 20 0 HFADLO Cc1noc(C)c1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787384823 1076803181 /nfs/dbraw/zinc/80/31/81/1076803181.db2.gz WFFILKLSFJJYJR-UHFFFAOYSA-N 1 2 407.312 2.987 20 0 HFADLO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787387418 1076804612 /nfs/dbraw/zinc/80/46/12/1076804612.db2.gz YSTSVQMSFNPXEC-CRAIPNDOSA-N 1 2 405.543 2.546 20 0 HFADLO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787387418 1076804616 /nfs/dbraw/zinc/80/46/16/1076804616.db2.gz YSTSVQMSFNPXEC-CRAIPNDOSA-N 1 2 405.543 2.546 20 0 HFADLO CC[NH+](CC)[C@@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccsc1 ZINC000746686291 1076821116 /nfs/dbraw/zinc/82/11/16/1076821116.db2.gz GSUIZDOTBPYVNV-KRWDZBQOSA-N 1 2 416.572 2.946 20 0 HFADLO COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCc3cc[nH+]c(N)c3)c2)cc1 ZINC000787573543 1076868789 /nfs/dbraw/zinc/86/87/89/1076868789.db2.gz ROKXIVSBZNKDJA-UHFFFAOYSA-N 1 2 413.455 2.830 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3ccnc4[nH]cnc43)cc2Br)CC1 ZINC000787672493 1076889411 /nfs/dbraw/zinc/88/94/11/1076889411.db2.gz UGHVTCQVCDWESA-UHFFFAOYSA-N 1 2 415.295 2.725 20 0 HFADLO CCOc1nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)co1 ZINC000787668753 1076905466 /nfs/dbraw/zinc/90/54/66/1076905466.db2.gz GDZDCSUPKODDGU-UHFFFAOYSA-N 1 2 409.284 2.840 20 0 HFADLO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)O[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787728043 1076932653 /nfs/dbraw/zinc/93/26/53/1076932653.db2.gz FXSBZHBZJVAMQQ-WOJBJXKFSA-N 1 2 424.488 2.792 20 0 HFADLO Cc1cnc(Cl)c(NC(=O)C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000787873827 1076970534 /nfs/dbraw/zinc/97/05/34/1076970534.db2.gz IQQIVTUPVJWOCQ-UHFFFAOYSA-N 1 2 416.913 2.553 20 0 HFADLO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000787933354 1077001916 /nfs/dbraw/zinc/00/19/16/1077001916.db2.gz PDXCSQOYZIBZLR-MRXNPFEDSA-N 1 2 403.910 2.715 20 0 HFADLO C[C@H](Cc1ccco1)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000787933354 1077001923 /nfs/dbraw/zinc/00/19/23/1077001923.db2.gz PDXCSQOYZIBZLR-MRXNPFEDSA-N 1 2 403.910 2.715 20 0 HFADLO CC(C)OCc1ccccc1CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000787992837 1077021391 /nfs/dbraw/zinc/02/13/91/1077021391.db2.gz MLIRRCNJERXPIF-UHFFFAOYSA-N 1 2 406.486 2.730 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CC(=O)NCCOc2ccccc2)C1 ZINC000787994313 1077021713 /nfs/dbraw/zinc/02/17/13/1077021713.db2.gz GDZOBSNVHLUSBG-QFIPXVFZSA-N 1 2 403.523 2.657 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CC(=O)NCCOc2ccccc2)C1 ZINC000787994313 1077021718 /nfs/dbraw/zinc/02/17/18/1077021718.db2.gz GDZOBSNVHLUSBG-QFIPXVFZSA-N 1 2 403.523 2.657 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)c3cccc(N(C)C)c3)CC2)cc1 ZINC000788058263 1077044644 /nfs/dbraw/zinc/04/46/44/1077044644.db2.gz OITREKRYWLJUFW-UHFFFAOYSA-N 1 2 402.564 2.766 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1sc(-c2cccc(Cl)c2)nc1C ZINC000788155515 1077070445 /nfs/dbraw/zinc/07/04/45/1077070445.db2.gz SGCQHDHURNDEBQ-AWEZNQCLSA-N 1 2 404.879 2.940 20 0 HFADLO O=C1C[C@@H]([NH+]2CCC(COc3ccc(Cl)nc3)CC2)C(=O)N1CC(F)(F)F ZINC000788330791 1077103709 /nfs/dbraw/zinc/10/37/09/1077103709.db2.gz IKJBMTJSQIXXOK-CYBMUJFWSA-N 1 2 405.804 2.516 20 0 HFADLO CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN(C)[C@@H](C)C[NH+]1CCOCC1)C2=O ZINC000788377837 1077133911 /nfs/dbraw/zinc/13/39/11/1077133911.db2.gz KJPOYILPFGFSEY-LYGNXSNRSA-N 1 2 408.587 2.513 20 0 HFADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CC2CCC3(CC2)OCCO3)CC1 ZINC000788463177 1077167785 /nfs/dbraw/zinc/16/77/85/1077167785.db2.gz BWBYIHZYMHPNCD-UHFFFAOYSA-N 1 2 415.534 2.613 20 0 HFADLO O=C(Cc1nc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cs1)Nc1ccccc1 ZINC000788472255 1077170692 /nfs/dbraw/zinc/17/06/92/1077170692.db2.gz PNUBHNQNCDEFMF-FQEVSTJZSA-N 1 2 411.531 2.993 20 0 HFADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCSC(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000788555625 1077199936 /nfs/dbraw/zinc/19/99/36/1077199936.db2.gz BZDIRKWCLDJDCC-OLZOCXBDSA-N 1 2 409.861 2.571 20 0 HFADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCCSC(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000788555625 1077199942 /nfs/dbraw/zinc/19/99/42/1077199942.db2.gz BZDIRKWCLDJDCC-OLZOCXBDSA-N 1 2 409.861 2.571 20 0 HFADLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1C ZINC000746948061 1077241441 /nfs/dbraw/zinc/24/14/41/1077241441.db2.gz WMVJCERYCFRXGR-HNNXBMFYSA-N 1 2 420.535 2.981 20 0 HFADLO O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790957710 1077253951 /nfs/dbraw/zinc/25/39/51/1077253951.db2.gz FTPADXWYIGSCNR-MRXNPFEDSA-N 1 2 416.465 2.688 20 0 HFADLO O=C(C[C@H]1C=CS(=O)(=O)C1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000790957710 1077253955 /nfs/dbraw/zinc/25/39/55/1077253955.db2.gz FTPADXWYIGSCNR-MRXNPFEDSA-N 1 2 416.465 2.688 20 0 HFADLO CCc1ccc(CNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)s1 ZINC000788710641 1077267892 /nfs/dbraw/zinc/26/78/92/1077267892.db2.gz HYKAGZZBYFNQEA-UHFFFAOYSA-N 1 2 414.575 2.778 20 0 HFADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCO1 ZINC000788766546 1077281382 /nfs/dbraw/zinc/28/13/82/1077281382.db2.gz LMAOOZAYQGMQRK-HIFRSBDPSA-N 1 2 401.338 2.592 20 0 HFADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCO1 ZINC000788766546 1077281392 /nfs/dbraw/zinc/28/13/92/1077281392.db2.gz LMAOOZAYQGMQRK-HIFRSBDPSA-N 1 2 401.338 2.592 20 0 HFADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCO1 ZINC000788766548 1077281413 /nfs/dbraw/zinc/28/14/13/1077281413.db2.gz LMAOOZAYQGMQRK-UKRRQHHQSA-N 1 2 401.338 2.592 20 0 HFADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCO1 ZINC000788766548 1077281420 /nfs/dbraw/zinc/28/14/20/1077281420.db2.gz LMAOOZAYQGMQRK-UKRRQHHQSA-N 1 2 401.338 2.592 20 0 HFADLO C[N@H+](CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000788773053 1077296097 /nfs/dbraw/zinc/29/60/97/1077296097.db2.gz WNZYZEZTWCOJIH-MSOLQXFVSA-N 1 2 401.507 2.503 20 0 HFADLO C[N@@H+](CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000788773053 1077296104 /nfs/dbraw/zinc/29/61/04/1077296104.db2.gz WNZYZEZTWCOJIH-MSOLQXFVSA-N 1 2 401.507 2.503 20 0 HFADLO CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000788832067 1077313352 /nfs/dbraw/zinc/31/33/52/1077313352.db2.gz FPPPGOUWHJYPFA-MRXNPFEDSA-N 1 2 421.494 2.543 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)cc2C1 ZINC000788835223 1077315021 /nfs/dbraw/zinc/31/50/21/1077315021.db2.gz AUQKGMGKUDQWQA-UHFFFAOYSA-N 1 2 407.392 2.610 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)Cc3ccc(OC(F)(F)F)cc3)cc2C1 ZINC000788835223 1077315026 /nfs/dbraw/zinc/31/50/26/1077315026.db2.gz AUQKGMGKUDQWQA-UHFFFAOYSA-N 1 2 407.392 2.610 20 0 HFADLO O=C(CN1c2ccccc2OCCC1=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788836231 1077315340 /nfs/dbraw/zinc/31/53/40/1077315340.db2.gz BKNMCEXRZXZFSF-UHFFFAOYSA-N 1 2 408.502 2.741 20 0 HFADLO CC(=O)N1C[C@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)Oc2ccccc21 ZINC000788836562 1077315371 /nfs/dbraw/zinc/31/53/71/1077315371.db2.gz HHGGJPJXDLUANE-OAQYLSRUSA-N 1 2 408.502 2.740 20 0 HFADLO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000788845764 1077318493 /nfs/dbraw/zinc/31/84/93/1077318493.db2.gz DMHMABMYHBROCG-CZUORRHYSA-N 1 2 404.312 2.776 20 0 HFADLO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000788845764 1077318497 /nfs/dbraw/zinc/31/84/97/1077318497.db2.gz DMHMABMYHBROCG-CZUORRHYSA-N 1 2 404.312 2.776 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C3CC3)[nH+]c12 ZINC000746767687 1077334919 /nfs/dbraw/zinc/33/49/19/1077334919.db2.gz ONWMPOGYWFTHKV-QGZVFWFLSA-N 1 2 401.511 2.788 20 0 HFADLO O=C(Cn1nnc(-c2ccccc2)n1)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791269967 1077353589 /nfs/dbraw/zinc/35/35/89/1077353589.db2.gz DHDTWPRFVRASCD-KRWDZBQOSA-N 1 2 405.506 2.785 20 0 HFADLO O=C(Cn1nnc(-c2ccccc2)n1)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791269967 1077353595 /nfs/dbraw/zinc/35/35/95/1077353595.db2.gz DHDTWPRFVRASCD-KRWDZBQOSA-N 1 2 405.506 2.785 20 0 HFADLO Cc1cc(C)c(N2CC[C@@H](NC(=O)N3CCN(c4cccc[nH+]4)CC3)C2=O)c(C)c1 ZINC000788934363 1077368258 /nfs/dbraw/zinc/36/82/58/1077368258.db2.gz WLCVUSSNCIABKS-LJQANCHMSA-N 1 2 407.518 2.644 20 0 HFADLO O=C(COC(=O)Cc1cnc2ccccc2c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000788990055 1077374952 /nfs/dbraw/zinc/37/49/52/1077374952.db2.gz XVNXPEMZHFMIME-UHFFFAOYSA-N 1 2 419.481 2.791 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000791393819 1077397931 /nfs/dbraw/zinc/39/79/31/1077397931.db2.gz WWYNMXZBKWHOOL-IBGZPJMESA-N 1 2 403.438 2.743 20 0 HFADLO Nc1cc(COC(=O)CCC(=O)c2ccc(I)cc2)cc[nH+]1 ZINC000791451185 1077411145 /nfs/dbraw/zinc/41/11/45/1077411145.db2.gz UEFDGPRMKGHCQH-UHFFFAOYSA-N 1 2 410.211 2.975 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000791455779 1077413071 /nfs/dbraw/zinc/41/30/71/1077413071.db2.gz TVLVCQCCEULJJH-NHCUHLMSSA-N 1 2 409.486 2.665 20 0 HFADLO Nc1c(F)cc(Cl)cc1C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000791477882 1077419300 /nfs/dbraw/zinc/41/93/00/1077419300.db2.gz AXXJPZQUEZVYGU-UHFFFAOYSA-N 1 2 421.856 2.689 20 0 HFADLO O=C(Nc1ccc(-c2ccccc2)cc1F)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000746789181 1077439220 /nfs/dbraw/zinc/43/92/20/1077439220.db2.gz KPUIWZJDKCBLRF-IBGZPJMESA-N 1 2 411.477 2.754 20 0 HFADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000789224491 1077464006 /nfs/dbraw/zinc/46/40/06/1077464006.db2.gz VKCBBQXLTOVFAX-NXHRZFHOSA-N 1 2 404.511 2.890 20 0 HFADLO CCOC(=O)C1=C(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)NC(=O)N[C@@H]1c1ccco1 ZINC000791582742 1077471595 /nfs/dbraw/zinc/47/15/95/1077471595.db2.gz COSJVJSEVOVVES-JRPNMDOOSA-N 1 2 401.385 2.723 20 0 HFADLO CCOC(=O)C1=C(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)NC(=O)N[C@@H]1c1ccco1 ZINC000791582742 1077471599 /nfs/dbraw/zinc/47/15/99/1077471599.db2.gz COSJVJSEVOVVES-JRPNMDOOSA-N 1 2 401.385 2.723 20 0 HFADLO COc1ccc(Cn2ncc3cc(C(=O)OCc4cc[nH+]c(N)c4)cnc32)c(OC)c1 ZINC000791705813 1077521135 /nfs/dbraw/zinc/52/11/35/1077521135.db2.gz ZFTWIVFXWJQBKW-UHFFFAOYSA-N 1 2 419.441 2.831 20 0 HFADLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001170104700 1077537629 /nfs/dbraw/zinc/53/76/29/1077537629.db2.gz JMFABCFADXLHLY-UHFFFAOYSA-N 1 2 415.494 2.682 20 0 HFADLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001170104700 1077537636 /nfs/dbraw/zinc/53/76/36/1077537636.db2.gz JMFABCFADXLHLY-UHFFFAOYSA-N 1 2 415.494 2.682 20 0 HFADLO CCNC(=O)Nc1cccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1C ZINC000789375333 1077545129 /nfs/dbraw/zinc/54/51/29/1077545129.db2.gz UOJLROAYEFKLAR-QGZVFWFLSA-N 1 2 414.510 2.503 20 0 HFADLO Nc1cc(COC(=O)CSCC(=O)Nc2cccc(Br)c2)cc[nH+]1 ZINC000791776804 1077549329 /nfs/dbraw/zinc/54/93/29/1077549329.db2.gz FLJHRZBTPUWTGO-UHFFFAOYSA-N 1 2 410.293 2.841 20 0 HFADLO O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789441595 1077574610 /nfs/dbraw/zinc/57/46/10/1077574610.db2.gz ICYHJHUFSGRKJO-FQEVSTJZSA-N 1 2 414.456 2.598 20 0 HFADLO O=C1N[C@@H](Cc2ccccc2)C(=O)N1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789441595 1077574615 /nfs/dbraw/zinc/57/46/15/1077574615.db2.gz ICYHJHUFSGRKJO-FQEVSTJZSA-N 1 2 414.456 2.598 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+]3C[C@H](C)C[C@H](C)[C@@H]3C)nc(=O)c2c1C ZINC000789449703 1077579273 /nfs/dbraw/zinc/57/92/73/1077579273.db2.gz IYQZWQCWZJIMRM-DYEKYZERSA-N 1 2 407.536 2.963 20 0 HFADLO COCCOC(=O)c1sc2[nH]c(C[N@H+]3C[C@H](C)C[C@H](C)[C@@H]3C)nc(=O)c2c1C ZINC000789449703 1077579279 /nfs/dbraw/zinc/57/92/79/1077579279.db2.gz IYQZWQCWZJIMRM-DYEKYZERSA-N 1 2 407.536 2.963 20 0 HFADLO Nc1cc(COC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc[nH+]1 ZINC000791868304 1077592302 /nfs/dbraw/zinc/59/23/02/1077592302.db2.gz CNNNPKUEEOMWTI-CQSZACIVSA-N 1 2 423.256 2.919 20 0 HFADLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789524484 1077620866 /nfs/dbraw/zinc/62/08/66/1077620866.db2.gz FCQZGROHWFTEER-JRGCBEDISA-N 1 2 407.514 2.748 20 0 HFADLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789524484 1077620871 /nfs/dbraw/zinc/62/08/71/1077620871.db2.gz FCQZGROHWFTEER-JRGCBEDISA-N 1 2 407.514 2.748 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2ncsc2C(F)(F)F)CC1 ZINC000792060205 1077667505 /nfs/dbraw/zinc/66/75/05/1077667505.db2.gz HHRHOARTVZJEGD-UHFFFAOYSA-N 1 2 422.473 2.835 20 0 HFADLO Cn1cc([C@@H]2CN(C(=O)C[C@H](O)c3ccc(OCc4ccccc4)cc3)CC[NH2+]2)cn1 ZINC001170111525 1077668119 /nfs/dbraw/zinc/66/81/19/1077668119.db2.gz GXUPDVMCRZHXCA-GOTSBHOMSA-N 1 2 420.513 2.596 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)[nH+]1 ZINC000789599305 1077703278 /nfs/dbraw/zinc/70/32/78/1077703278.db2.gz OCJBHGKXKODZAY-UHFFFAOYSA-N 1 2 416.800 2.924 20 0 HFADLO C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792228348 1077752984 /nfs/dbraw/zinc/75/29/84/1077752984.db2.gz AORMGRGRNXTDGE-MRXNPFEDSA-N 1 2 421.513 2.846 20 0 HFADLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)c(C)c1 ZINC000792230287 1077754345 /nfs/dbraw/zinc/75/43/45/1077754345.db2.gz ILYIQXDVGORUMZ-RTBURBONSA-N 1 2 400.519 2.701 20 0 HFADLO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000789721460 1077757454 /nfs/dbraw/zinc/75/74/54/1077757454.db2.gz HGUWRFVVOJSQII-UHFFFAOYSA-N 1 2 409.490 2.967 20 0 HFADLO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000789721460 1077757463 /nfs/dbraw/zinc/75/74/63/1077757463.db2.gz HGUWRFVVOJSQII-UHFFFAOYSA-N 1 2 409.490 2.967 20 0 HFADLO CC(C)=CCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000792305132 1077798157 /nfs/dbraw/zinc/79/81/57/1077798157.db2.gz DMSKZKZRGZHJHV-UHFFFAOYSA-N 1 2 423.355 2.612 20 0 HFADLO CC(C)N(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000789795371 1077801639 /nfs/dbraw/zinc/80/16/39/1077801639.db2.gz CJGAKQYTORGWFU-QGZVFWFLSA-N 1 2 400.454 2.684 20 0 HFADLO CCCCOC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000789796783 1077803185 /nfs/dbraw/zinc/80/31/85/1077803185.db2.gz UEAWUSCEJVSBDU-LJQANCHMSA-N 1 2 411.458 2.657 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000789797850 1077803668 /nfs/dbraw/zinc/80/36/68/1077803668.db2.gz UCQUGXJZIXACPS-UHFFFAOYSA-N 1 2 401.479 2.509 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000789797850 1077803674 /nfs/dbraw/zinc/80/36/74/1077803674.db2.gz UCQUGXJZIXACPS-UHFFFAOYSA-N 1 2 401.479 2.509 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000792316839 1077804160 /nfs/dbraw/zinc/80/41/60/1077804160.db2.gz WKEKWCKIQIFNEO-UHFFFAOYSA-N 1 2 406.531 2.665 20 0 HFADLO CCN(CC)c1nc(N(C(N)=[NH2+])c2ccc(N3CCOCC3)cc2)nc2cccnc21 ZINC001170165805 1077833122 /nfs/dbraw/zinc/83/31/22/1077833122.db2.gz FOUNTGOZJHQNQE-UHFFFAOYSA-N 1 2 420.521 2.739 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000789966289 1077873937 /nfs/dbraw/zinc/87/39/37/1077873937.db2.gz MHZUHGGMXHZRRM-UHFFFAOYSA-N 1 2 405.524 2.953 20 0 HFADLO CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000789968097 1077875529 /nfs/dbraw/zinc/87/55/29/1077875529.db2.gz OPTCIXNHOOYHFH-DYESRHJHSA-N 1 2 400.567 2.923 20 0 HFADLO CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000789968100 1077875560 /nfs/dbraw/zinc/87/55/60/1077875560.db2.gz OPTCIXNHOOYHFH-UWJYYQICSA-N 1 2 400.567 2.923 20 0 HFADLO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC001170216037 1077909196 /nfs/dbraw/zinc/90/91/96/1077909196.db2.gz GYHFLSIMBQLZRF-IBGZPJMESA-N 1 2 418.538 2.756 20 0 HFADLO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC001170216037 1077909199 /nfs/dbraw/zinc/90/91/99/1077909199.db2.gz GYHFLSIMBQLZRF-IBGZPJMESA-N 1 2 418.538 2.756 20 0 HFADLO CC(C)NC(=O)[C@@H](Nc1c2[nH+]ccn2ccc1I)C(C)C ZINC001170195037 1077911411 /nfs/dbraw/zinc/91/14/11/1077911411.db2.gz GZVLUSJFVHCTOX-LBPRGKRZSA-N 1 2 400.264 2.900 20 0 HFADLO Nc1[nH+]ccc2c1CN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)CC2 ZINC001170257648 1077920149 /nfs/dbraw/zinc/92/01/49/1077920149.db2.gz IUHPEARGIFLEGJ-VWLOTQADSA-N 1 2 422.348 2.899 20 0 HFADLO CC(C)(C)OC(=O)Nc1ncc(CCC(=O)N2CCc3cc[nH+]c(N)c3C2)s1 ZINC001170268133 1077922895 /nfs/dbraw/zinc/92/28/95/1077922895.db2.gz ITCAPBDEOURBSP-UHFFFAOYSA-N 1 2 403.508 2.985 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2sccc2NC(=O)c2ccncc2)C[C@H](C)O1 ZINC000790121329 1077957632 /nfs/dbraw/zinc/95/76/32/1077957632.db2.gz FLNPECBXWRGJLB-GASCZTMLSA-N 1 2 402.520 2.577 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2sccc2NC(=O)c2ccncc2)C[C@H](C)O1 ZINC000790121329 1077957635 /nfs/dbraw/zinc/95/76/35/1077957635.db2.gz FLNPECBXWRGJLB-GASCZTMLSA-N 1 2 402.520 2.577 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)cc2C1 ZINC000790159066 1077962240 /nfs/dbraw/zinc/96/22/40/1077962240.db2.gz QVNHWXIODXNUOS-SFHVURJKSA-N 1 2 408.285 2.509 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)cc2C1 ZINC000790159066 1077962241 /nfs/dbraw/zinc/96/22/41/1077962241.db2.gz QVNHWXIODXNUOS-SFHVURJKSA-N 1 2 408.285 2.509 20 0 HFADLO C[C@@H]1CSCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000792723512 1077974634 /nfs/dbraw/zinc/97/46/34/1077974634.db2.gz STABAUCYKANAAQ-ZUZCIYMTSA-N 1 2 418.382 2.920 20 0 HFADLO C[C@@H]1CSCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)C1 ZINC000792723512 1077974637 /nfs/dbraw/zinc/97/46/37/1077974637.db2.gz STABAUCYKANAAQ-ZUZCIYMTSA-N 1 2 418.382 2.920 20 0 HFADLO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1nnnn1C1CC1 ZINC000790330350 1077998644 /nfs/dbraw/zinc/99/86/44/1077998644.db2.gz DPWAKKNLSFHAPH-SWLSCSKDSA-N 1 2 421.908 2.825 20 0 HFADLO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1nnnn1C1CC1 ZINC000790330350 1077998648 /nfs/dbraw/zinc/99/86/48/1077998648.db2.gz DPWAKKNLSFHAPH-SWLSCSKDSA-N 1 2 421.908 2.825 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Oc2ccc3ccc(=O)oc3c2)[C@@H]1c1c[nH+]cn1C ZINC000792868276 1078011745 /nfs/dbraw/zinc/01/17/45/1078011745.db2.gz BWPCWXHPVDFETM-IIBYNOLFSA-N 1 2 409.442 2.822 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(OC)c(F)c2)[C@@H]1c1c[nH+]cn1C ZINC000792844094 1078013078 /nfs/dbraw/zinc/01/30/78/1078013078.db2.gz UEZWUYKLQPUPHU-IIBYNOLFSA-N 1 2 416.497 2.916 20 0 HFADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792910514 1078021542 /nfs/dbraw/zinc/02/15/42/1078021542.db2.gz PJAZEIAHNMLUGJ-FUHWJXTLSA-N 1 2 417.333 2.844 20 0 HFADLO COc1cc(OC)c(OC)cc1CNC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792910514 1078021546 /nfs/dbraw/zinc/02/15/46/1078021546.db2.gz PJAZEIAHNMLUGJ-FUHWJXTLSA-N 1 2 417.333 2.844 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1C ZINC000790420456 1078022569 /nfs/dbraw/zinc/02/25/69/1078022569.db2.gz ATSMIRIVIUMQTA-UHFFFAOYSA-N 1 2 415.471 2.779 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1C[C@H](O)COc1ccccc1F)C(=O)OC(C)(C)C ZINC000792919977 1078025928 /nfs/dbraw/zinc/02/59/28/1078025928.db2.gz SZNJWAZTBQUKBP-JYJNAYRXSA-N 1 2 400.466 2.845 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1C[C@H](O)COc1ccccc1F)C(=O)OC(C)(C)C ZINC000792919977 1078025933 /nfs/dbraw/zinc/02/59/33/1078025933.db2.gz SZNJWAZTBQUKBP-JYJNAYRXSA-N 1 2 400.466 2.845 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@H+](Cc1ccccc1)[C@H](C)CN1CCOCC1)C2 ZINC000790445198 1078033783 /nfs/dbraw/zinc/03/37/83/1078033783.db2.gz GKEDMBHDXPYQQB-LJQANCHMSA-N 1 2 409.530 2.831 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@@H+](Cc1ccccc1)[C@H](C)CN1CCOCC1)C2 ZINC000790445198 1078033788 /nfs/dbraw/zinc/03/37/88/1078033788.db2.gz GKEDMBHDXPYQQB-LJQANCHMSA-N 1 2 409.530 2.831 20 0 HFADLO COc1ccc2c(c1)C(=O)N(CN(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1)C2 ZINC000790445198 1078033793 /nfs/dbraw/zinc/03/37/93/1078033793.db2.gz GKEDMBHDXPYQQB-LJQANCHMSA-N 1 2 409.530 2.831 20 0 HFADLO COCC[N@H+](Cn1nc(-c2ccco2)n(CCC(N)=O)c1=S)[C@H]1CC[C@H](C)C1 ZINC000790478800 1078040792 /nfs/dbraw/zinc/04/07/92/1078040792.db2.gz MHZOIDYLTBYAGS-GJZGRUSLSA-N 1 2 407.540 2.644 20 0 HFADLO COCC[N@@H+](Cn1nc(-c2ccco2)n(CCC(N)=O)c1=S)[C@H]1CC[C@H](C)C1 ZINC000790478800 1078040798 /nfs/dbraw/zinc/04/07/98/1078040798.db2.gz MHZOIDYLTBYAGS-GJZGRUSLSA-N 1 2 407.540 2.644 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000806286683 1079537213 /nfs/dbraw/zinc/53/72/13/1079537213.db2.gz HEJMTRFDJUWWPF-GOSISDBHSA-N 1 2 406.502 2.662 20 0 HFADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)CC1 ZINC000806294672 1079582735 /nfs/dbraw/zinc/58/27/35/1079582735.db2.gz AZFZJCMIVDRAGF-NRFANRHFSA-N 1 2 423.561 2.610 20 0 HFADLO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000806430630 1079677943 /nfs/dbraw/zinc/67/79/43/1079677943.db2.gz VPECGUFVBBCQHH-SFHVURJKSA-N 1 2 405.543 2.852 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCCc3ccsc3)CC2)C1 ZINC000806405808 1079694222 /nfs/dbraw/zinc/69/42/22/1079694222.db2.gz RBECWSXYVADHTP-KRWDZBQOSA-N 1 2 408.568 2.627 20 0 HFADLO CN(C)S(=O)(=O)c1cc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1F ZINC000806542632 1079781587 /nfs/dbraw/zinc/78/15/87/1079781587.db2.gz VNUMYHKPEDMWRK-MRXNPFEDSA-N 1 2 411.503 2.509 20 0 HFADLO CC(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000806528586 1079802762 /nfs/dbraw/zinc/80/27/62/1079802762.db2.gz GMRUOOUOGYMQGZ-MJXNMMHHSA-N 1 2 404.461 2.810 20 0 HFADLO CC(C)[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000806528586 1079802771 /nfs/dbraw/zinc/80/27/71/1079802771.db2.gz GMRUOOUOGYMQGZ-MJXNMMHHSA-N 1 2 404.461 2.810 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=S)NCCc3cccs3)CC2)C1 ZINC000806609294 1079852343 /nfs/dbraw/zinc/85/23/43/1079852343.db2.gz PNORZIONMDCYHW-MRXNPFEDSA-N 1 2 424.636 2.792 20 0 HFADLO COc1ccc(CS(C)(=O)=O)cc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000806636326 1079892120 /nfs/dbraw/zinc/89/21/20/1079892120.db2.gz NQCGEFXIEHYWEN-KRWDZBQOSA-N 1 2 408.524 2.673 20 0 HFADLO CC1(C)C[N@H+](CCNC(=O)N2CCCC[C@@H]2COC(=O)NC2CCCCC2)CCO1 ZINC000806665788 1079928658 /nfs/dbraw/zinc/92/86/58/1079928658.db2.gz GPWMZNCAHKMOAQ-LJQANCHMSA-N 1 2 424.586 2.720 20 0 HFADLO CC1(C)C[N@@H+](CCNC(=O)N2CCCC[C@@H]2COC(=O)NC2CCCCC2)CCO1 ZINC000806665788 1079928661 /nfs/dbraw/zinc/92/86/61/1079928661.db2.gz GPWMZNCAHKMOAQ-LJQANCHMSA-N 1 2 424.586 2.720 20 0 HFADLO C[C@@H](NC(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000806741457 1079941656 /nfs/dbraw/zinc/94/16/56/1079941656.db2.gz KCYZOXGRTYCJKW-AABGKKOBSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@H](NC(=O)N1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000806741813 1079997062 /nfs/dbraw/zinc/99/70/62/1079997062.db2.gz RLGBCSUWNNCPHG-FYQPLNBISA-N 1 2 424.586 2.528 20 0 HFADLO CCc1ccc([C@@H](O)CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000806789409 1080010509 /nfs/dbraw/zinc/01/05/09/1080010509.db2.gz LUNWGOUJKLSOTF-GOTSBHOMSA-N 1 2 411.546 2.525 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806801450 1080018431 /nfs/dbraw/zinc/01/84/31/1080018431.db2.gz ZCLUEQADRZVVTP-SECBINFHSA-N 1 2 411.222 2.705 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3nc(C4CC4)cs3)CC2)cc1 ZINC000806919274 1080088804 /nfs/dbraw/zinc/08/88/04/1080088804.db2.gz MDELGJFVQMYBAI-UHFFFAOYSA-N 1 2 413.547 2.810 20 0 HFADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCCC1CCC1 ZINC000807040237 1080200214 /nfs/dbraw/zinc/20/02/14/1080200214.db2.gz OJWQSXGIAPGQOT-LAUBAEHRSA-N 1 2 400.567 2.755 20 0 HFADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCCC1CCC1 ZINC000807040237 1080200221 /nfs/dbraw/zinc/20/02/21/1080200221.db2.gz OJWQSXGIAPGQOT-LAUBAEHRSA-N 1 2 400.567 2.755 20 0 HFADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCCC1CCC1 ZINC000807040240 1080200237 /nfs/dbraw/zinc/20/02/37/1080200237.db2.gz OJWQSXGIAPGQOT-UTKZUKDTSA-N 1 2 400.567 2.755 20 0 HFADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)NCCC1CCC1 ZINC000807040240 1080200247 /nfs/dbraw/zinc/20/02/47/1080200247.db2.gz OJWQSXGIAPGQOT-UTKZUKDTSA-N 1 2 400.567 2.755 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC001130832655 1080252837 /nfs/dbraw/zinc/25/28/37/1080252837.db2.gz JXDGFLGJURIPDP-QFBILLFUSA-N 1 2 403.523 2.819 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807103589 1080282414 /nfs/dbraw/zinc/28/24/14/1080282414.db2.gz OITHLQVBFSENPL-MSOLQXFVSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000807150326 1080309138 /nfs/dbraw/zinc/30/91/38/1080309138.db2.gz QCGCRHBSUHPMNX-KZNAEPCWSA-N 1 2 403.527 2.631 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807157042 1080313672 /nfs/dbraw/zinc/31/36/72/1080313672.db2.gz PCZHYJMZKNIYSV-SOUVJXGZSA-N 1 2 421.822 2.894 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000807157042 1080313679 /nfs/dbraw/zinc/31/36/79/1080313679.db2.gz PCZHYJMZKNIYSV-SOUVJXGZSA-N 1 2 421.822 2.894 20 0 HFADLO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC001170519800 1080405228 /nfs/dbraw/zinc/40/52/28/1080405228.db2.gz SOLSUPDDKWLREP-HNNXBMFYSA-N 1 2 408.458 2.679 20 0 HFADLO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC=C(c2ccccn2)C1 ZINC001170519800 1080405234 /nfs/dbraw/zinc/40/52/34/1080405234.db2.gz SOLSUPDDKWLREP-HNNXBMFYSA-N 1 2 408.458 2.679 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(OCc2ccccc2C)c1 ZINC000807281160 1080440150 /nfs/dbraw/zinc/44/01/50/1080440150.db2.gz PMIYWNUTPFZFIM-NRFANRHFSA-N 1 2 407.470 2.671 20 0 HFADLO CC[C@H](NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1nccs1 ZINC000807256391 1080461641 /nfs/dbraw/zinc/46/16/41/1080461641.db2.gz RGJRJFMNLODROY-SFHVURJKSA-N 1 2 415.563 2.562 20 0 HFADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4cc(Cl)ccc4n3)CC2)C1=O ZINC001164637069 719269416 /nfs/dbraw/zinc/26/94/16/719269416.db2.gz ZZUIEZSLMIGCBA-UHFFFAOYSA-N 1 2 402.926 2.648 20 0 HFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4cc(Cl)ccc4n3)CC2)C1=O ZINC001164637069 719269418 /nfs/dbraw/zinc/26/94/18/719269418.db2.gz ZZUIEZSLMIGCBA-UHFFFAOYSA-N 1 2 402.926 2.648 20 0 HFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(C(N)=O)n1)CC2 ZINC001164658059 719351502 /nfs/dbraw/zinc/35/15/02/719351502.db2.gz CWQXQHRRHUBKBJ-UHFFFAOYSA-N 1 2 416.529 2.875 20 0 HFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(C(N)=O)n1)CC2 ZINC001164658059 719351504 /nfs/dbraw/zinc/35/15/04/719351504.db2.gz CWQXQHRRHUBKBJ-UHFFFAOYSA-N 1 2 416.529 2.875 20 0 HFADLO NC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncc1Cl ZINC001164673789 719496335 /nfs/dbraw/zinc/49/63/35/719496335.db2.gz SALYFQSMAJBSLX-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO NC(=O)c1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncc1Cl ZINC001164673789 719496342 /nfs/dbraw/zinc/49/63/42/719496342.db2.gz SALYFQSMAJBSLX-UHFFFAOYSA-N 1 2 418.900 2.844 20 0 HFADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cncc(-n4ccnc4)n2)CC3)cc1 ZINC001164671699 719518123 /nfs/dbraw/zinc/51/81/23/719518123.db2.gz HVTBNUHWNSHOGY-UHFFFAOYSA-N 1 2 408.481 2.673 20 0 HFADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cncc(-n4ccnc4)n2)CC3)cc1 ZINC001164671699 719518137 /nfs/dbraw/zinc/51/81/37/719518137.db2.gz HVTBNUHWNSHOGY-UHFFFAOYSA-N 1 2 408.481 2.673 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc2ccc(Cl)cc2n1 ZINC001164705582 719851716 /nfs/dbraw/zinc/85/17/16/719851716.db2.gz UKQWUBYUNYQCRQ-MGPUTAFESA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(Cl)cccc2n1 ZINC001164698703 719857355 /nfs/dbraw/zinc/85/73/55/719857355.db2.gz CVHZUCZGGIBGOC-VLIAUNLRSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2c3ccccc3oc21 ZINC001164702415 719860579 /nfs/dbraw/zinc/86/05/79/719860579.db2.gz MTUABVPFIDIAFD-QMHKHESXSA-N 1 2 424.501 2.917 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)nc2c3ccccc3oc21 ZINC001164702414 719860821 /nfs/dbraw/zinc/86/08/21/719860821.db2.gz MTUABVPFIDIAFD-MWTRTKDXSA-N 1 2 424.501 2.917 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(C)cc2)nn1 ZINC001164706775 719866839 /nfs/dbraw/zinc/86/68/39/719866839.db2.gz QLHGIEQFTIHZQX-XXBNENTESA-N 1 2 410.518 2.685 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccc(F)cc2)ncn1 ZINC001164702886 719870826 /nfs/dbraw/zinc/87/08/26/719870826.db2.gz JGMAQVAVEOPSNX-AVRDEDQJSA-N 1 2 414.481 2.515 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2cccs2)n1 ZINC001164707427 719872512 /nfs/dbraw/zinc/87/25/12/719872512.db2.gz SLGPGNFLOAPOPF-HRAATJIYSA-N 1 2 416.547 2.746 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(C)C)nc(Cl)c1C ZINC001164708430 719876587 /nfs/dbraw/zinc/87/65/87/719876587.db2.gz ZDYXVCPLDMNNDB-MGPUTAFESA-N 1 2 410.946 2.795 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(CC(C)C)nc(Cl)c1C ZINC001164708467 719876850 /nfs/dbraw/zinc/87/68/50/719876850.db2.gz ZKGOCNJOSGFJPS-IIBYNOLFSA-N 1 2 424.973 2.870 20 0 HFADLO CCc1nc(Cl)nc(Cl)c1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164701373 719878313 /nfs/dbraw/zinc/87/83/13/719878313.db2.gz NLEXBEQKJQRPCG-SGTLLEGYSA-N 1 2 417.337 2.579 20 0 HFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)nc3ccccc31)CC2 ZINC001164703254 719928200 /nfs/dbraw/zinc/92/82/00/719928200.db2.gz JYIRMCVFRAYESK-UHFFFAOYSA-N 1 2 424.936 2.572 20 0 HFADLO COc1ccc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c(Cl)n1 ZINC001164831593 720397757 /nfs/dbraw/zinc/39/77/57/720397757.db2.gz WRFOVRPDPBTYGE-UHFFFAOYSA-N 1 2 409.828 2.535 20 0 HFADLO Cc1ccc2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)ccc2c1 ZINC001164827222 720429138 /nfs/dbraw/zinc/42/91/38/720429138.db2.gz RXAPNEPACUATRF-FQEVSTJZSA-N 1 2 421.545 2.729 20 0 HFADLO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164731663 720480417 /nfs/dbraw/zinc/48/04/17/720480417.db2.gz XIIUWWZOIVGPMV-CHWSQXEVSA-N 1 2 408.289 2.818 20 0 HFADLO COC(=O)c1nc(Cl)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)n1 ZINC001164731663 720480424 /nfs/dbraw/zinc/48/04/24/720480424.db2.gz XIIUWWZOIVGPMV-CHWSQXEVSA-N 1 2 408.289 2.818 20 0 HFADLO COc1nc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164756205 720978523 /nfs/dbraw/zinc/97/85/23/720978523.db2.gz GJAGHQCZDOJMOO-CYBMUJFWSA-N 1 2 413.856 2.943 20 0 HFADLO FC(F)(c1cnnc(Cl)c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164771098 721274688 /nfs/dbraw/zinc/27/46/88/721274688.db2.gz ZHYRBOCQVUKCDY-ZDUSSCGKSA-N 1 2 406.824 2.982 20 0 HFADLO [O-][n+]1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)cc1Cl ZINC001164768073 721277042 /nfs/dbraw/zinc/27/70/42/721277042.db2.gz JKAONOVARFURDS-CQSZACIVSA-N 1 2 421.835 2.825 20 0 HFADLO CCOC[C@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)Cc2cnn(C)c21 ZINC001164790313 721476372 /nfs/dbraw/zinc/47/63/72/721476372.db2.gz DJBBRQYXYLMSOO-HXUWFJFHSA-N 1 2 418.545 2.909 20 0 HFADLO CCOC[C@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)Cc2cnn(C)c21 ZINC001164790313 721476374 /nfs/dbraw/zinc/47/63/74/721476374.db2.gz DJBBRQYXYLMSOO-HXUWFJFHSA-N 1 2 418.545 2.909 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1CSCC3)C2 ZINC001165007550 721697143 /nfs/dbraw/zinc/69/71/43/721697143.db2.gz FFGPFFUDOGTPTP-UHFFFAOYSA-N 1 2 407.975 2.761 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1CSCC3)C2 ZINC001165007550 721697149 /nfs/dbraw/zinc/69/71/49/721697149.db2.gz FFGPFFUDOGTPTP-UHFFFAOYSA-N 1 2 407.975 2.761 20 0 HFADLO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC001165004529 722267917 /nfs/dbraw/zinc/26/79/17/722267917.db2.gz BDUZJZBDTFDJOG-HSZRJFAPSA-N 1 2 424.524 2.534 20 0 HFADLO O=C(c1cccc(Nc2nccc(C(F)(F)F)n2)c1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001170139316 1078048569 /nfs/dbraw/zinc/04/85/69/1078048569.db2.gz GNFZXRUBKGMAIL-HNNXBMFYSA-N 1 2 417.395 2.749 20 0 HFADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccc(C)c(Br)n2)c1C ZINC000793020587 1078051469 /nfs/dbraw/zinc/05/14/69/1078051469.db2.gz LJVXKJWFLOIZBN-UHFFFAOYSA-N 1 2 421.295 2.770 20 0 HFADLO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3nnnn3C3CC3)C2=O)ccc1Br ZINC000790535779 1078053094 /nfs/dbraw/zinc/05/30/94/1078053094.db2.gz RZCBQULUYLAEBX-LRDDRELGSA-N 1 2 419.327 2.925 20 0 HFADLO Clc1c(CNc2ccn(CC[NH+]3CCOCC3)n2)cnn1Cc1ccccc1 ZINC000790551688 1078054562 /nfs/dbraw/zinc/05/45/62/1078054562.db2.gz YKUXEPNAHVRNFH-UHFFFAOYSA-N 1 2 400.914 2.726 20 0 HFADLO CC[C@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C[C@@]2(CCOC2)O1 ZINC000793060282 1078069614 /nfs/dbraw/zinc/06/96/14/1078069614.db2.gz XIXXLIXJLSDNNY-JTHBVZDNSA-N 1 2 416.566 2.701 20 0 HFADLO Cc1c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)nnn1Cc1ccc(F)cc1F ZINC000790680222 1078088733 /nfs/dbraw/zinc/08/87/33/1078088733.db2.gz VNWOTNSUKJVQOC-UHFFFAOYSA-N 1 2 413.419 2.715 20 0 HFADLO Cc1c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)nnn1Cc1ccc(F)cc1F ZINC000790680222 1078088737 /nfs/dbraw/zinc/08/87/37/1078088737.db2.gz VNWOTNSUKJVQOC-UHFFFAOYSA-N 1 2 413.419 2.715 20 0 HFADLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000793181547 1078095372 /nfs/dbraw/zinc/09/53/72/1078095372.db2.gz HAIYPSSYYJIPCV-FQEVSTJZSA-N 1 2 409.490 2.718 20 0 HFADLO COC(=O)[C@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1cc(F)ccc1F ZINC000793352123 1078156048 /nfs/dbraw/zinc/15/60/48/1078156048.db2.gz OUQDBRUVGBOFGM-GOSISDBHSA-N 1 2 409.339 2.932 20 0 HFADLO COc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000793382823 1078161108 /nfs/dbraw/zinc/16/11/08/1078161108.db2.gz LTSUCISSGOERIO-PZJWPPBQSA-N 1 2 408.502 2.760 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000793383119 1078161154 /nfs/dbraw/zinc/16/11/54/1078161154.db2.gz MFKBTIXJNIAUQV-QXAKKESOSA-N 1 2 419.485 2.708 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000793383109 1078161173 /nfs/dbraw/zinc/16/11/73/1078161173.db2.gz MFKBTIXJNIAUQV-BHIYHBOVSA-N 1 2 419.485 2.708 20 0 HFADLO COc1ccc2nc(CN3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)sc2c1 ZINC000793604956 1078222651 /nfs/dbraw/zinc/22/26/51/1078222651.db2.gz TXVNNIURGCPPOO-CQSZACIVSA-N 1 2 406.552 2.946 20 0 HFADLO COc1ccc2nc(CN3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)sc2c1 ZINC000793604956 1078222652 /nfs/dbraw/zinc/22/26/52/1078222652.db2.gz TXVNNIURGCPPOO-CQSZACIVSA-N 1 2 406.552 2.946 20 0 HFADLO COCC1(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793652537 1078226229 /nfs/dbraw/zinc/22/62/29/1078226229.db2.gz UCAMNJKTCUHLMR-MSOLQXFVSA-N 1 2 420.554 2.956 20 0 HFADLO COC(=O)c1ccccc1CC1CC[NH+](Cn2cc(C)n(-c3cc(C)on3)c2=O)CC1 ZINC000793608671 1078227007 /nfs/dbraw/zinc/22/70/07/1078227007.db2.gz WIKRZIJKGXIJJO-UHFFFAOYSA-N 1 2 424.501 2.943 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000793622586 1078230605 /nfs/dbraw/zinc/23/06/05/1078230605.db2.gz VZMWKYQHMXYONF-OALUTQOASA-N 1 2 419.485 2.708 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000793622586 1078230609 /nfs/dbraw/zinc/23/06/09/1078230609.db2.gz VZMWKYQHMXYONF-OALUTQOASA-N 1 2 419.485 2.708 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000793673418 1078248874 /nfs/dbraw/zinc/24/88/74/1078248874.db2.gz KTSSCPDMXKPJIL-FZKQIMNGSA-N 1 2 405.401 2.567 20 0 HFADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000793725969 1078267481 /nfs/dbraw/zinc/26/74/81/1078267481.db2.gz KVQDQIVXSGITPM-INIZCTEOSA-N 1 2 408.424 2.814 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1C ZINC000793753408 1078291897 /nfs/dbraw/zinc/29/18/97/1078291897.db2.gz XVOCYGPTDUXJGS-RXVVDRJESA-N 1 2 411.502 2.607 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)N2CCN(c3ccc(C)cc3)CC2)[C@@H]1c1c[nH+]cn1C ZINC000793802739 1078303525 /nfs/dbraw/zinc/30/35/25/1078303525.db2.gz OBXXQIACQCXGMO-NFBKMPQASA-N 1 2 423.561 2.767 20 0 HFADLO CC[C@@H]1CC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(I)cc2)C1=O ZINC000793822294 1078317452 /nfs/dbraw/zinc/31/74/52/1078317452.db2.gz WIQYDCDMBWGGMH-CJNGLKHVSA-N 1 2 413.259 2.500 20 0 HFADLO CC[C@@H]1CC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(I)cc2)C1=O ZINC000793822294 1078317456 /nfs/dbraw/zinc/31/74/56/1078317456.db2.gz WIQYDCDMBWGGMH-CJNGLKHVSA-N 1 2 413.259 2.500 20 0 HFADLO C[C@H](SCc1cnnn1-c1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000793967289 1078348916 /nfs/dbraw/zinc/34/89/16/1078348916.db2.gz SGJGRNDQPSCAOB-KRWDZBQOSA-N 1 2 408.531 2.633 20 0 HFADLO Cc1ccc(Cl)c(OCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000793980879 1078355798 /nfs/dbraw/zinc/35/57/98/1078355798.db2.gz NURITXJEOKANJX-UHFFFAOYSA-N 1 2 422.934 2.976 20 0 HFADLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1 ZINC000747171400 1078361855 /nfs/dbraw/zinc/36/18/55/1078361855.db2.gz INXUDQHJJCPYAG-GFCCVEGCSA-N 1 2 410.927 2.722 20 0 HFADLO COc1ccc(Br)c([C@H](CO)[N@H+](C)C[C@@H](O)C[C@@H](O)c2ccccc2)c1 ZINC001170441985 1078369126 /nfs/dbraw/zinc/36/91/26/1078369126.db2.gz CABILLPYMJOOHW-RYGJVYDSSA-N 1 2 424.335 2.908 20 0 HFADLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@@H](O)C[C@@H](O)c2ccccc2)c1 ZINC001170441985 1078369128 /nfs/dbraw/zinc/36/91/28/1078369128.db2.gz CABILLPYMJOOHW-RYGJVYDSSA-N 1 2 424.335 2.908 20 0 HFADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000794206479 1078384493 /nfs/dbraw/zinc/38/44/93/1078384493.db2.gz NOBKREWUCARBKF-JOCHJYFZSA-N 1 2 421.432 2.930 20 0 HFADLO CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)[C@H]2C1 ZINC000794274043 1078398280 /nfs/dbraw/zinc/39/82/80/1078398280.db2.gz CRTBPPOAWXCHCE-BWTSREIZSA-N 1 2 401.507 2.570 20 0 HFADLO Cn1cc[nH+]c1C[C@@H](NC(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1ccccc1 ZINC000794357871 1078424282 /nfs/dbraw/zinc/42/42/82/1078424282.db2.gz SNDJXCHHQTVDKI-RMJJICAUSA-N 1 2 410.518 2.933 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804437920 1078483580 /nfs/dbraw/zinc/48/35/80/1078483580.db2.gz JEEZGPZGEQTGEC-LYHRCORUSA-N 1 2 417.550 2.748 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000804436587 1078481999 /nfs/dbraw/zinc/48/19/99/1078481999.db2.gz QUKSTUUTYZZQDZ-DFHBCGBQSA-N 1 2 412.317 2.808 20 0 HFADLO Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000747206151 1078508396 /nfs/dbraw/zinc/50/83/96/1078508396.db2.gz JUNRHEBSWOUHTB-UHFFFAOYSA-N 1 2 411.550 2.552 20 0 HFADLO CN(C)C(=O)[C@@H]1CCN(C(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001129825632 1078519275 /nfs/dbraw/zinc/51/92/75/1078519275.db2.gz WDRSXHQEHZQIPG-NVXWUHKLSA-N 1 2 408.340 2.523 20 0 HFADLO CC(C)(C)OC(=O)N1Cc2ccc(C(=O)NC(C)(C)C[NH+]3CCOCC3)cc2C1 ZINC001129857108 1078537270 /nfs/dbraw/zinc/53/72/70/1078537270.db2.gz HZRGBDWPJRJDRN-UHFFFAOYSA-N 1 2 403.523 2.778 20 0 HFADLO CCS(=O)(=O)N1CCC(C(=O)NCc2cc(C)[nH+]c(C)c2)(c2ccccc2)CC1 ZINC001129857968 1078538498 /nfs/dbraw/zinc/53/84/98/1078538498.db2.gz GTEIFPBKMAXUMJ-UHFFFAOYSA-N 1 2 415.559 2.698 20 0 HFADLO COCCCC(=O)Nc1ccccc1OCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001129623497 1078598311 /nfs/dbraw/zinc/59/83/11/1078598311.db2.gz VINWIBRGXWWJBD-UHFFFAOYSA-N 1 2 421.538 2.983 20 0 HFADLO COc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c(OCCOC(C)C)c1 ZINC001129659228 1078620577 /nfs/dbraw/zinc/62/05/77/1078620577.db2.gz XQKJZTVBNVMEAS-UHFFFAOYSA-N 1 2 408.539 2.682 20 0 HFADLO Cc1nc2c(cccc2C(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)o1 ZINC000804765006 1078622079 /nfs/dbraw/zinc/62/20/79/1078622079.db2.gz RELQQMJNVFPRPS-INIZCTEOSA-N 1 2 414.506 2.903 20 0 HFADLO COc1c[nH+]c(NC[C@@H]2COC3(CCCC3)O2)nc1NC[C@@H]1COC2(CCCC2)O1 ZINC000804590514 1078624581 /nfs/dbraw/zinc/62/45/81/1078624581.db2.gz XVAWZPNBXGSAKA-HZPDHXFCSA-N 1 2 420.510 2.680 20 0 HFADLO O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1cc(F)c(C(F)(F)F)cc1F ZINC001129670043 1078628912 /nfs/dbraw/zinc/62/89/12/1078628912.db2.gz RHHPDSZQSFQDBX-UHFFFAOYSA-N 1 2 408.367 2.595 20 0 HFADLO CC(C)COc1cncc(N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804834243 1078675894 /nfs/dbraw/zinc/67/58/94/1078675894.db2.gz CTQAPHZBROGKFO-QGZVFWFLSA-N 1 2 405.543 2.643 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3ncnc4c3CCCCC4)C2)CC1 ZINC000804835707 1078676971 /nfs/dbraw/zinc/67/69/71/1078676971.db2.gz XGXCXIQNUWGDFK-QGZVFWFLSA-N 1 2 401.555 2.877 20 0 HFADLO Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 ZINC000804920469 1078741397 /nfs/dbraw/zinc/74/13/97/1078741397.db2.gz JCBKKRURJWJKCS-INIZCTEOSA-N 1 2 408.568 2.893 20 0 HFADLO Cc1nc(C[NH+]2CCC(CNC(=O)CSc3n[nH]c(=S)s3)CC2)oc1C ZINC000747223385 1078743487 /nfs/dbraw/zinc/74/34/87/1078743487.db2.gz FAAQJKPCOMBUCO-UHFFFAOYSA-N 1 2 413.594 2.552 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)c3cnc(Cl)c(F)c3)CC2)cc1 ZINC000805016558 1078827681 /nfs/dbraw/zinc/82/76/81/1078827681.db2.gz GCOADVMYXPVVJJ-UHFFFAOYSA-N 1 2 412.918 2.887 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc(F)cc3F)C2)CC1 ZINC000805021357 1078833013 /nfs/dbraw/zinc/83/30/13/1078833013.db2.gz HJQIUZPNHGYYQX-QGZVFWFLSA-N 1 2 424.492 2.801 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000805100252 1078886929 /nfs/dbraw/zinc/88/69/29/1078886929.db2.gz XFRXYPSGCKARFZ-MRXNPFEDSA-N 1 2 424.492 2.707 20 0 HFADLO COC(=O)N1CCC(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000805100252 1078886935 /nfs/dbraw/zinc/88/69/35/1078886935.db2.gz XFRXYPSGCKARFZ-MRXNPFEDSA-N 1 2 424.492 2.707 20 0 HFADLO O=C(COC(=O)[C@H]1Cc2cc(Cl)ccc2O1)N1CC[NH+](Cc2cccs2)CC1 ZINC000805106691 1078890325 /nfs/dbraw/zinc/89/03/25/1078890325.db2.gz HGUANYWAJXYROP-GOSISDBHSA-N 1 2 420.918 2.593 20 0 HFADLO CCCC[C@@H](COC)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805135869 1078932673 /nfs/dbraw/zinc/93/26/73/1078932673.db2.gz YXJJRXKGZMZFQO-ZWKOTPCHSA-N 1 2 412.575 2.528 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000805153452 1078948437 /nfs/dbraw/zinc/94/84/37/1078948437.db2.gz AZVIPMZWEIERHA-XWSJACJDSA-N 1 2 424.586 2.575 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc(Cl)o3)C2)CC1 ZINC000805178401 1078964170 /nfs/dbraw/zinc/96/41/70/1078964170.db2.gz OESRYXHCDDGNDS-CQSZACIVSA-N 1 2 412.918 2.770 20 0 HFADLO C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC000805277724 1079005572 /nfs/dbraw/zinc/00/55/72/1079005572.db2.gz HJZSEILKGUOXKD-CEXWTWQISA-N 1 2 424.586 2.528 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000805424383 1079056738 /nfs/dbraw/zinc/05/67/38/1079056738.db2.gz ZEJFYLRAEDEEKL-HOTGVXAUSA-N 1 2 416.513 2.758 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCC(C)(C)C(F)(F)F)C2)CC1 ZINC000805458246 1079082552 /nfs/dbraw/zinc/08/25/52/1079082552.db2.gz UGGYZZJPNZDMHL-CQSZACIVSA-N 1 2 422.492 2.912 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000805476807 1079092583 /nfs/dbraw/zinc/09/25/83/1079092583.db2.gz AASRKMQDHLUSAC-INIZCTEOSA-N 1 2 406.280 2.670 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000805476807 1079092587 /nfs/dbraw/zinc/09/25/87/1079092587.db2.gz AASRKMQDHLUSAC-INIZCTEOSA-N 1 2 406.280 2.670 20 0 HFADLO CCc1ccc(-c2csc(NC(=O)COC(=O)[C@H]3C[N@H+](CC)CCO3)n2)cc1 ZINC000805475306 1079091197 /nfs/dbraw/zinc/09/11/97/1079091197.db2.gz NINILLYDVYGDCI-QGZVFWFLSA-N 1 2 403.504 2.575 20 0 HFADLO CCc1ccc(-c2csc(NC(=O)COC(=O)[C@H]3C[N@@H+](CC)CCO3)n2)cc1 ZINC000805475306 1079091202 /nfs/dbraw/zinc/09/12/02/1079091202.db2.gz NINILLYDVYGDCI-QGZVFWFLSA-N 1 2 403.504 2.575 20 0 HFADLO C[C@H](CNS(=O)(=O)/C=C/c1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000747246109 1079104062 /nfs/dbraw/zinc/10/40/62/1079104062.db2.gz TWYQNOCDRHNSRE-QIPHDZALSA-N 1 2 403.523 2.927 20 0 HFADLO C[C@@H](CNS(=O)(=O)/C=C/c1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000747246107 1079104097 /nfs/dbraw/zinc/10/40/97/1079104097.db2.gz TWYQNOCDRHNSRE-FYXHJSOBSA-N 1 2 403.523 2.927 20 0 HFADLO C[C@H](CNC(=O)c1cn(C(C)(C)C)nc1Br)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259775 1079148899 /nfs/dbraw/zinc/14/88/99/1079148899.db2.gz LPHWVWUPZVCMCO-UPJWGTAASA-N 1 2 401.349 2.628 20 0 HFADLO C[C@H](CNC(=O)c1cn(C(C)(C)C)nc1Br)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259775 1079148902 /nfs/dbraw/zinc/14/89/02/1079148902.db2.gz LPHWVWUPZVCMCO-UPJWGTAASA-N 1 2 401.349 2.628 20 0 HFADLO O=S(=O)(/C=C\c1ccc(F)cc1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000747253827 1079151832 /nfs/dbraw/zinc/15/18/32/1079151832.db2.gz NUGGRSCNCWPUCW-SXGWCWSVSA-N 1 2 420.506 2.627 20 0 HFADLO O=S(=O)(/C=C/c1ccc(F)cc1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000747253823 1079151853 /nfs/dbraw/zinc/15/18/53/1079151853.db2.gz NUGGRSCNCWPUCW-CXUHLZMHSA-N 1 2 420.506 2.627 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000805774265 1079247153 /nfs/dbraw/zinc/24/71/53/1079247153.db2.gz FSRHPNWOTLXQGK-KRWDZBQOSA-N 1 2 404.511 2.942 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000805774265 1079247157 /nfs/dbraw/zinc/24/71/57/1079247157.db2.gz FSRHPNWOTLXQGK-KRWDZBQOSA-N 1 2 404.511 2.942 20 0 HFADLO Cc1nc(C[NH+]2CCC(C(=O)OCCN3C(=O)c4ccccc4C3=O)CC2)cs1 ZINC000805846146 1079322535 /nfs/dbraw/zinc/32/25/35/1079322535.db2.gz CBNGSWJNMWBPHD-UHFFFAOYSA-N 1 2 413.499 2.503 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000806180695 1079475847 /nfs/dbraw/zinc/47/58/47/1079475847.db2.gz HRYFACYSMOWCKS-GDBMZVCRSA-N 1 2 406.914 2.794 20 0 HFADLO C[C@H]1CC[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@@H]1c1cccc(F)c1 ZINC000746676803 1076757536 /nfs/dbraw/zinc/75/75/36/1076757536.db2.gz APEAJSHLIOQOLF-KQQULHQFSA-N 1 2 416.497 2.741 20 0 HFADLO C[C@H]1CC[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)[C@@H]1c1cccc(F)c1 ZINC000746676803 1076757540 /nfs/dbraw/zinc/75/75/40/1076757540.db2.gz APEAJSHLIOQOLF-KQQULHQFSA-N 1 2 416.497 2.741 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)NCCCCn3cc[nH+]c3)[nH]n2)C1 ZINC000787351406 1076792353 /nfs/dbraw/zinc/79/23/53/1076792353.db2.gz HUGVFTMRGCOCIO-OAHLLOKOSA-N 1 2 402.499 2.541 20 0 HFADLO C[C@H](NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OC(F)F ZINC000787383449 1076795356 /nfs/dbraw/zinc/79/53/56/1076795356.db2.gz GAVKCGBCCXMPMW-AWEZNQCLSA-N 1 2 414.412 2.967 20 0 HFADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000787403594 1076809067 /nfs/dbraw/zinc/80/90/67/1076809067.db2.gz XIIGRJLUJFAJQA-UHFFFAOYSA-N 1 2 420.464 2.738 20 0 HFADLO CN(C)c1cc[nH+]c(NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)c1 ZINC000787519312 1076844594 /nfs/dbraw/zinc/84/45/94/1076844594.db2.gz RLSQOTUNQYDGMJ-ZDUSSCGKSA-N 1 2 400.483 2.847 20 0 HFADLO CCOCCO[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787533082 1076850991 /nfs/dbraw/zinc/85/09/91/1076850991.db2.gz LSTYJTPCLFJLRW-AWEZNQCLSA-N 1 2 414.344 2.581 20 0 HFADLO CCOCCO[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787533084 1076851055 /nfs/dbraw/zinc/85/10/55/1076851055.db2.gz LSTYJTPCLFJLRW-CQSZACIVSA-N 1 2 414.344 2.581 20 0 HFADLO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000787573578 1076869086 /nfs/dbraw/zinc/86/90/86/1076869086.db2.gz RVCXUYQVJJQHNK-UHFFFAOYSA-N 1 2 419.503 2.594 20 0 HFADLO CCOc1cc(C(=O)OCc2cc[nH+]c(N)c2)ccc1OCC(=O)N1CCCCC1 ZINC000787585482 1076874466 /nfs/dbraw/zinc/87/44/66/1076874466.db2.gz OWCSXJHOJMQVRF-UHFFFAOYSA-N 1 2 413.474 2.811 20 0 HFADLO O=C(C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1)Nc1ccc(N2CCCC2)cc1 ZINC000787675922 1076890374 /nfs/dbraw/zinc/89/03/74/1076890374.db2.gz MGWWRRYYCTUVCP-DEOSSOPVSA-N 1 2 409.530 2.879 20 0 HFADLO O=C(C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1)Nc1ccc(N2CCCC2)cc1 ZINC000787675922 1076890380 /nfs/dbraw/zinc/89/03/80/1076890380.db2.gz MGWWRRYYCTUVCP-DEOSSOPVSA-N 1 2 409.530 2.879 20 0 HFADLO CCC(CC)[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2COC)[NH+]1CCOCC1 ZINC000787942586 1077018603 /nfs/dbraw/zinc/01/86/03/1077018603.db2.gz UJCHKAKEWCVAST-OAQYLSRUSA-N 1 2 403.523 2.645 20 0 HFADLO COc1ccc(CNC(=O)C[N@@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000787998127 1077023477 /nfs/dbraw/zinc/02/34/77/1077023477.db2.gz WMOVQUOVIUGCHL-QFIPXVFZSA-N 1 2 403.523 2.787 20 0 HFADLO COc1ccc(CNC(=O)C[N@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)cc1 ZINC000787998127 1077023482 /nfs/dbraw/zinc/02/34/82/1077023482.db2.gz WMOVQUOVIUGCHL-QFIPXVFZSA-N 1 2 403.523 2.787 20 0 HFADLO Cc1cccc(-c2noc(C[NH+]3CCC(CO)(NC(=O)OC(C)(C)C)CC3)n2)c1 ZINC000788005487 1077026456 /nfs/dbraw/zinc/02/64/56/1077026456.db2.gz ZAEWDBLHPVANTQ-UHFFFAOYSA-N 1 2 402.495 2.897 20 0 HFADLO CN1C(=O)c2ccc(C(=O)N[C@@H]3CCc4[nH+]c(C5CCCCC5)[nH]c4C3)cc2C1=O ZINC000788241726 1077084979 /nfs/dbraw/zinc/08/49/79/1077084979.db2.gz WEASFRRATIQFBX-OAHLLOKOSA-N 1 2 406.486 2.971 20 0 HFADLO CN1C(=O)c2ccc(C(=O)N[C@@H]3CCc4[nH]c(C5CCCCC5)[nH+]c4C3)cc2C1=O ZINC000788241726 1077084985 /nfs/dbraw/zinc/08/49/85/1077084985.db2.gz WEASFRRATIQFBX-OAHLLOKOSA-N 1 2 406.486 2.971 20 0 HFADLO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000788246491 1077086174 /nfs/dbraw/zinc/08/61/74/1077086174.db2.gz RYWFOSXWGZWVFU-MRXNPFEDSA-N 1 2 416.547 2.653 20 0 HFADLO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000788246491 1077086179 /nfs/dbraw/zinc/08/61/79/1077086179.db2.gz RYWFOSXWGZWVFU-MRXNPFEDSA-N 1 2 416.547 2.653 20 0 HFADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000788325898 1077101569 /nfs/dbraw/zinc/10/15/69/1077101569.db2.gz CQUUNILKUQAZLG-QGZVFWFLSA-N 1 2 414.897 2.892 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3cccc4ccn(C)c43)CC2)cc1 ZINC000788327215 1077102310 /nfs/dbraw/zinc/10/23/10/1077102310.db2.gz BTMMFCCJJRDXLJ-UHFFFAOYSA-N 1 2 419.529 2.968 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000788438568 1077147026 /nfs/dbraw/zinc/14/70/26/1077147026.db2.gz VFZLHCTUPNERPP-SZMVWBNQSA-N 1 2 406.527 2.648 20 0 HFADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCSc3c(F)cccc32)C1 ZINC000788463107 1077167793 /nfs/dbraw/zinc/16/77/93/1077167793.db2.gz KXECFOPKWWXODO-CZUORRHYSA-N 1 2 402.495 2.619 20 0 HFADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2csc(-c3ccccc3)n2)C1 ZINC000788464661 1077168361 /nfs/dbraw/zinc/16/83/61/1077168361.db2.gz TVHVGWDRJZWWKL-INIZCTEOSA-N 1 2 409.515 2.566 20 0 HFADLO CC[C@H]1CN(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C[C@H](C)S1(=O)=O ZINC001170085017 1077169707 /nfs/dbraw/zinc/16/97/07/1077169707.db2.gz FCKFRLZIIQFUGP-PXNSSMCTSA-N 1 2 414.015 2.750 20 0 HFADLO Cc1cccn2cc(CCNC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)[nH+]c12 ZINC000746747197 1077170645 /nfs/dbraw/zinc/17/06/45/1077170645.db2.gz NGNKJONHKJNYSC-UHFFFAOYSA-N 1 2 405.502 2.921 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c(C)c1Cl ZINC000788591245 1077214673 /nfs/dbraw/zinc/21/46/73/1077214673.db2.gz ZCAARUSMFXINIY-UHFFFAOYSA-N 1 2 417.940 2.550 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)c1Cl ZINC000788644501 1077223433 /nfs/dbraw/zinc/22/34/33/1077223433.db2.gz JQNKOBMCWWPHMG-UHFFFAOYSA-N 1 2 403.913 2.788 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCCc4occc43)CC2)cc1 ZINC000788613231 1077227415 /nfs/dbraw/zinc/22/74/15/1077227415.db2.gz OOGAXCSQNDDKRW-FQEVSTJZSA-N 1 2 410.518 2.624 20 0 HFADLO CO[C@H]1CCOc2c(NC(=O)C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cccc21 ZINC000790912535 1077246332 /nfs/dbraw/zinc/24/63/32/1077246332.db2.gz UUOFUZSDFDAJHS-IRXDYDNUSA-N 1 2 400.479 2.523 20 0 HFADLO CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788697824 1077262776 /nfs/dbraw/zinc/26/27/76/1077262776.db2.gz WPGOSUYWEOVAIO-JOCHJYFZSA-N 1 2 417.513 2.874 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000788697457 1077275302 /nfs/dbraw/zinc/27/53/02/1077275302.db2.gz OKANJJFWKQHOIM-JYRVWZFOSA-N 1 2 417.369 2.792 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000788697457 1077275312 /nfs/dbraw/zinc/27/53/12/1077275312.db2.gz OKANJJFWKQHOIM-JYRVWZFOSA-N 1 2 417.369 2.792 20 0 HFADLO O=C(NC1CC[NH+](CN2C(=O)C[C@H](Cc3ccccc3)C2=O)CC1)Oc1ccccc1 ZINC000788772687 1077296701 /nfs/dbraw/zinc/29/67/01/1077296701.db2.gz RSPPCCZIZRZXLS-IBGZPJMESA-N 1 2 421.497 2.815 20 0 HFADLO CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000788835777 1077315566 /nfs/dbraw/zinc/31/55/66/1077315566.db2.gz ZQASTPLQNYNOMV-CVEARBPZSA-N 1 2 411.449 2.954 20 0 HFADLO CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000788841322 1077316952 /nfs/dbraw/zinc/31/69/52/1077316952.db2.gz HYMFRTBCQKRCIV-UHFFFAOYSA-N 1 2 400.460 2.862 20 0 HFADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000788847394 1077318308 /nfs/dbraw/zinc/31/83/08/1077318308.db2.gz VSBLEWFYSSFTBK-UHFFFAOYSA-N 1 2 419.529 2.766 20 0 HFADLO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COC(=O)c2c(F)cc(O)cc2F)CC1 ZINC000746984324 1077331427 /nfs/dbraw/zinc/33/14/27/1077331427.db2.gz FIMUWEVTODLGCD-CQSZACIVSA-N 1 2 404.413 2.733 20 0 HFADLO O=C(N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000791269856 1077354121 /nfs/dbraw/zinc/35/41/21/1077354121.db2.gz CNLZZJYAFVTKSS-WWGRRREGSA-N 1 2 412.456 2.888 20 0 HFADLO O=C(N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000791269856 1077354130 /nfs/dbraw/zinc/35/41/30/1077354130.db2.gz CNLZZJYAFVTKSS-WWGRRREGSA-N 1 2 412.456 2.888 20 0 HFADLO CC1(C)C[N@H+](CCNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CCO1 ZINC000788948496 1077358133 /nfs/dbraw/zinc/35/81/33/1077358133.db2.gz BAEFRSNFLHPVGG-UHFFFAOYSA-N 1 2 410.946 2.646 20 0 HFADLO CC1(C)C[N@@H+](CCNC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)CCO1 ZINC000788948496 1077358137 /nfs/dbraw/zinc/35/81/37/1077358137.db2.gz BAEFRSNFLHPVGG-UHFFFAOYSA-N 1 2 410.946 2.646 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000789040502 1077391530 /nfs/dbraw/zinc/39/15/30/1077391530.db2.gz TTZPDNMFCJNJEF-MJGOQNOKSA-N 1 2 420.554 2.615 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000791356436 1077392668 /nfs/dbraw/zinc/39/26/68/1077392668.db2.gz JGAWKPJFKVVEFO-UHFFFAOYSA-N 1 2 417.512 2.664 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000791358986 1077392810 /nfs/dbraw/zinc/39/28/10/1077392810.db2.gz IESTXZAAUPHCOM-UHFFFAOYSA-N 1 2 405.863 2.839 20 0 HFADLO Nc1cc(COC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc[nH+]1 ZINC000791533954 1077456963 /nfs/dbraw/zinc/45/69/63/1077456963.db2.gz AAMLILZAPYNNAX-UHFFFAOYSA-N 1 2 403.485 2.561 20 0 HFADLO O=C(OCc1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000791645674 1077509486 /nfs/dbraw/zinc/50/94/86/1077509486.db2.gz LQOYSEIIUMQWCD-UYAOXDASSA-N 1 2 413.470 2.753 20 0 HFADLO O=C(OCc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000791645674 1077509490 /nfs/dbraw/zinc/50/94/90/1077509490.db2.gz LQOYSEIIUMQWCD-UYAOXDASSA-N 1 2 413.470 2.753 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3ccnn3C3CCCC3)CC2)cc1 ZINC000746805508 1077530004 /nfs/dbraw/zinc/53/00/04/1077530004.db2.gz WWCGAELAUCHPDK-UHFFFAOYSA-N 1 2 424.549 2.788 20 0 HFADLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789391635 1077534975 /nfs/dbraw/zinc/53/49/75/1077534975.db2.gz FERRKYFGOPIVDV-HOTGVXAUSA-N 1 2 424.538 2.593 20 0 HFADLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789391635 1077534979 /nfs/dbraw/zinc/53/49/79/1077534979.db2.gz FERRKYFGOPIVDV-HOTGVXAUSA-N 1 2 424.538 2.593 20 0 HFADLO COC[C@@H](C)n1c(SCC(=O)OCc2cc[nH+]c(N)c2)nnc1-c1ccccc1 ZINC000791826814 1077575925 /nfs/dbraw/zinc/57/59/25/1077575925.db2.gz QNQRUMLVXPTVCC-CQSZACIVSA-N 1 2 413.503 2.965 20 0 HFADLO Cc1noc(C2(C)CC[NH+](CN3C(=O)N[C@@](CCC(C)C)(C4CC4)C3=O)CC2)n1 ZINC000789444458 1077576738 /nfs/dbraw/zinc/57/67/38/1077576738.db2.gz QKLCNIOTMRBBEY-NRFANRHFSA-N 1 2 403.527 2.826 20 0 HFADLO CCCCOC(=O)c1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000746814917 1077581655 /nfs/dbraw/zinc/58/16/55/1077581655.db2.gz WZMQOVPBFZCQFG-UHFFFAOYSA-N 1 2 422.485 2.897 20 0 HFADLO Cc1csc([C@](O)(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C(F)(F)F)n1 ZINC000746819172 1077605301 /nfs/dbraw/zinc/60/53/01/1077605301.db2.gz RJJUZWLGZUMLCX-MRXNPFEDSA-N 1 2 419.494 2.997 20 0 HFADLO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)CN1C[C@@]2(CCOC2)CC1=O ZINC000789517676 1077611990 /nfs/dbraw/zinc/61/19/90/1077611990.db2.gz XWEFHPMOGVZKLS-HSZRJFAPSA-N 1 2 417.550 2.652 20 0 HFADLO CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)CN1C[C@@]2(CCOC2)CC1=O ZINC000789517676 1077611996 /nfs/dbraw/zinc/61/19/96/1077611996.db2.gz XWEFHPMOGVZKLS-HSZRJFAPSA-N 1 2 417.550 2.652 20 0 HFADLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789524483 1077620926 /nfs/dbraw/zinc/62/09/26/1077620926.db2.gz FCQZGROHWFTEER-DUXKGJEZSA-N 1 2 407.514 2.748 20 0 HFADLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789524483 1077620929 /nfs/dbraw/zinc/62/09/29/1077620929.db2.gz FCQZGROHWFTEER-DUXKGJEZSA-N 1 2 407.514 2.748 20 0 HFADLO CCOc1c(Cl)cc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)cc1Cl ZINC000789600272 1077703608 /nfs/dbraw/zinc/70/36/08/1077703608.db2.gz OFFVABWBERNUMK-UHFFFAOYSA-N 1 2 419.656 2.698 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000792159922 1077726484 /nfs/dbraw/zinc/72/64/84/1077726484.db2.gz LIZDVIHRRPQGIH-UHFFFAOYSA-N 1 2 421.929 2.775 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)CC1 ZINC000792215398 1077769371 /nfs/dbraw/zinc/76/93/71/1077769371.db2.gz PEQTYKFEFVQZRE-ROUUACIJSA-N 1 2 407.555 2.680 20 0 HFADLO COC(=O)[C@@]1(NC(=O)c2[nH]nc3c2CCCCC3)CCC[N@H+](Cc2ccccc2)C1 ZINC000789805635 1077806785 /nfs/dbraw/zinc/80/67/85/1077806785.db2.gz IILUAVFHLJMSIR-HSZRJFAPSA-N 1 2 410.518 2.616 20 0 HFADLO COC(=O)[C@@]1(NC(=O)c2[nH]nc3c2CCCCC3)CCC[N@@H+](Cc2ccccc2)C1 ZINC000789805635 1077806790 /nfs/dbraw/zinc/80/67/90/1077806790.db2.gz IILUAVFHLJMSIR-HSZRJFAPSA-N 1 2 410.518 2.616 20 0 HFADLO O=C(COC(=O)c1csc(C(F)(F)F)n1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000792332487 1077822603 /nfs/dbraw/zinc/82/26/03/1077822603.db2.gz DMEHWXQBJAHLNZ-UHFFFAOYSA-N 1 2 419.450 2.725 20 0 HFADLO Cn1ncc2c1nc(C[NH+]1CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC1)[nH]c2=O ZINC000792334217 1077824073 /nfs/dbraw/zinc/82/40/73/1077824073.db2.gz UKXAXGTUVYXLBI-UHFFFAOYSA-N 1 2 416.526 2.682 20 0 HFADLO COc1cc(OC)cc(N2CC[C@@H]([NH+]3CCC(Oc4ccc(F)nc4)CC3)C2=O)c1 ZINC000792388848 1077830888 /nfs/dbraw/zinc/83/08/88/1077830888.db2.gz NVZHDCOYMCRWGR-HXUWFJFHSA-N 1 2 415.465 2.887 20 0 HFADLO O=C(C[NH+]1CCC(Oc2ccc(F)nc2)CC1)Nc1ccccc1N1CCCC1=O ZINC000792390205 1077832005 /nfs/dbraw/zinc/83/20/05/1077832005.db2.gz XXFGNYGUWBQIOH-UHFFFAOYSA-N 1 2 412.465 2.829 20 0 HFADLO COc1cccc([C@H](C)CCCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000789941189 1077860950 /nfs/dbraw/zinc/86/09/50/1077860950.db2.gz NGDQLSZDHCUSIY-QGZVFWFLSA-N 1 2 410.580 2.594 20 0 HFADLO CC(C)(C)C[C@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000747076058 1077869151 /nfs/dbraw/zinc/86/91/51/1077869151.db2.gz JXSQZEBOXSZLNP-IERDGZPVSA-N 1 2 421.563 2.715 20 0 HFADLO CC(C)(C)C[C@H]1CCC[N@H+]1CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000747076058 1077869154 /nfs/dbraw/zinc/86/91/54/1077869154.db2.gz JXSQZEBOXSZLNP-IERDGZPVSA-N 1 2 421.563 2.715 20 0 HFADLO CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)=NO1 ZINC000789957919 1077869397 /nfs/dbraw/zinc/86/93/97/1077869397.db2.gz GGNYXYPHWURLOZ-CYBMUJFWSA-N 1 2 403.414 2.620 20 0 HFADLO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000789960891 1077871638 /nfs/dbraw/zinc/87/16/38/1077871638.db2.gz WVYHHUDOOCGVBX-ZQIUZPCESA-N 1 2 415.456 2.937 20 0 HFADLO CS(=O)(=O)c1ccc(F)c(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000792556672 1077902712 /nfs/dbraw/zinc/90/27/12/1077902712.db2.gz XEUDYXXPMMIFRG-UHFFFAOYSA-N 1 2 422.444 2.764 20 0 HFADLO CC[C@@H]1C[C@H]([N@@H+]2Cc3ncnn3C3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001170207883 1077906996 /nfs/dbraw/zinc/90/69/96/1077906996.db2.gz NIVMTCSTUQDKBE-IAGOWNOFSA-N 1 2 405.543 2.778 20 0 HFADLO CC[C@@H]1C[C@H]([N@H+]2Cc3ncnn3C3(CCN(C(=O)OC(C)(C)C)CC3)C2)CCO1 ZINC001170207883 1077906998 /nfs/dbraw/zinc/90/69/98/1077906998.db2.gz NIVMTCSTUQDKBE-IAGOWNOFSA-N 1 2 405.543 2.778 20 0 HFADLO Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC001170366373 1077951115 /nfs/dbraw/zinc/95/11/15/1077951115.db2.gz WOJIZWULQIKIDV-UHFFFAOYSA-N 1 2 409.530 2.904 20 0 HFADLO Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC001170366373 1077951118 /nfs/dbraw/zinc/95/11/18/1077951118.db2.gz WOJIZWULQIKIDV-UHFFFAOYSA-N 1 2 409.530 2.904 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000790137835 1077954114 /nfs/dbraw/zinc/95/41/14/1077954114.db2.gz WYYJKRKQXIVSEZ-YLJYHZDGSA-N 1 2 417.550 2.700 20 0 HFADLO CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)c1 ZINC001170385979 1077957235 /nfs/dbraw/zinc/95/72/35/1077957235.db2.gz LJPYQPPCIXMELE-CYBMUJFWSA-N 1 2 405.524 2.797 20 0 HFADLO Cc1cccc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1NC(=O)c1ccncc1 ZINC000790125339 1077959363 /nfs/dbraw/zinc/95/93/63/1077959363.db2.gz RHYNPDOZQVNDDF-UHFFFAOYSA-N 1 2 410.518 2.825 20 0 HFADLO Cc1cccc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1NC(=O)c1ccncc1 ZINC000790125339 1077959364 /nfs/dbraw/zinc/95/93/64/1077959364.db2.gz RHYNPDOZQVNDDF-UHFFFAOYSA-N 1 2 410.518 2.825 20 0 HFADLO Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000790156394 1077960771 /nfs/dbraw/zinc/96/07/71/1077960771.db2.gz CVDRBZULKOIBGQ-RCCKNPSSSA-N 1 2 417.517 2.919 20 0 HFADLO CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001170403886 1077965722 /nfs/dbraw/zinc/96/57/22/1077965722.db2.gz GVNFMKNGEZDBKL-FQEVSTJZSA-N 1 2 417.481 2.518 20 0 HFADLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(F)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000790311936 1078000228 /nfs/dbraw/zinc/00/02/28/1078000228.db2.gz LLQTXDOGCACOFK-YOEHRIQHSA-N 1 2 400.516 2.835 20 0 HFADLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000790311936 1078000234 /nfs/dbraw/zinc/00/02/34/1078000234.db2.gz LLQTXDOGCACOFK-YOEHRIQHSA-N 1 2 400.516 2.835 20 0 HFADLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(F)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000790311935 1078000260 /nfs/dbraw/zinc/00/02/60/1078000260.db2.gz LLQTXDOGCACOFK-WMLDXEAASA-N 1 2 400.516 2.835 20 0 HFADLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(F)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000790311935 1078000265 /nfs/dbraw/zinc/00/02/65/1078000265.db2.gz LLQTXDOGCACOFK-WMLDXEAASA-N 1 2 400.516 2.835 20 0 HFADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000792864228 1078011062 /nfs/dbraw/zinc/01/10/62/1078011062.db2.gz ZGTQQSHCIKXQMV-OALUTQOASA-N 1 2 417.550 2.649 20 0 HFADLO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000792864228 1078011065 /nfs/dbraw/zinc/01/10/65/1078011065.db2.gz ZGTQQSHCIKXQMV-OALUTQOASA-N 1 2 417.550 2.649 20 0 HFADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000792903140 1078019893 /nfs/dbraw/zinc/01/98/93/1078019893.db2.gz JMGVBGAKWFEKQP-MAUKXSAKSA-N 1 2 414.333 2.608 20 0 HFADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000792903140 1078019899 /nfs/dbraw/zinc/01/98/99/1078019899.db2.gz JMGVBGAKWFEKQP-MAUKXSAKSA-N 1 2 414.333 2.608 20 0 HFADLO C[C@@]12CC[N@H+](CC(=O)NCc3cccc(C(=O)NC4CC4)c3)C[C@@H]1C2(Cl)Cl ZINC000792911593 1078023503 /nfs/dbraw/zinc/02/35/03/1078023503.db2.gz YBVIATFBBWJMMG-QFBILLFUSA-N 1 2 410.345 2.711 20 0 HFADLO C[C@@]12CC[N@@H+](CC(=O)NCc3cccc(C(=O)NC4CC4)c3)C[C@@H]1C2(Cl)Cl ZINC000792911593 1078023509 /nfs/dbraw/zinc/02/35/09/1078023509.db2.gz YBVIATFBBWJMMG-QFBILLFUSA-N 1 2 410.345 2.711 20 0 HFADLO C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@H]1Cc1ccccc1 ZINC000790461654 1078027559 /nfs/dbraw/zinc/02/75/59/1078027559.db2.gz VDBIVKYVWAUQOG-MRXNPFEDSA-N 1 2 404.923 2.535 20 0 HFADLO C[N@H+]1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C[C@H]1Cc1ccccc1 ZINC000790461654 1078027564 /nfs/dbraw/zinc/02/75/64/1078027564.db2.gz VDBIVKYVWAUQOG-MRXNPFEDSA-N 1 2 404.923 2.535 20 0 HFADLO CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)c2nnnn2C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000790474280 1078039827 /nfs/dbraw/zinc/03/98/27/1078039827.db2.gz RXGABTKTIMHSEA-TYFHEEPYSA-N 1 2 423.443 2.621 20 0 HFADLO CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2nnnn2C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000790474280 1078039832 /nfs/dbraw/zinc/03/98/32/1078039832.db2.gz RXGABTKTIMHSEA-TYFHEEPYSA-N 1 2 423.443 2.621 20 0 HFADLO CC(C)(CNC(=O)N1CCCC[C@H]1COC(=O)NC1CCCCC1)[NH+]1CCOCC1 ZINC000806303666 1079556306 /nfs/dbraw/zinc/55/63/06/1079556306.db2.gz QEAXCAWDNYYXBT-IBGZPJMESA-N 1 2 424.586 2.720 20 0 HFADLO CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000806363290 1079649462 /nfs/dbraw/zinc/64/94/62/1079649462.db2.gz VTOJZPRFXQFKGL-GOSISDBHSA-N 1 2 403.527 2.882 20 0 HFADLO Cc1cccc(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000806369363 1079656937 /nfs/dbraw/zinc/65/69/37/1079656937.db2.gz SWHRKUPNSRDAFY-LJQANCHMSA-N 1 2 402.539 2.832 20 0 HFADLO O=C([C@@H]1CCCC12OCCO2)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000806432831 1079679720 /nfs/dbraw/zinc/67/97/20/1079679720.db2.gz BGXSLURRJLIHIW-KRWDZBQOSA-N 1 2 414.424 2.773 20 0 HFADLO O=C(c1cnc(Nc2ccccc2)nc1C(F)(F)F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001130633668 1079719518 /nfs/dbraw/zinc/71/95/18/1079719518.db2.gz WXNPXAMBYFFWEU-OAHLLOKOSA-N 1 2 421.423 2.786 20 0 HFADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000806482937 1079768888 /nfs/dbraw/zinc/76/88/88/1079768888.db2.gz VAXSIGWKKFAQBO-HRAATJIYSA-N 1 2 421.549 2.810 20 0 HFADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000806482937 1079768893 /nfs/dbraw/zinc/76/88/93/1079768893.db2.gz VAXSIGWKKFAQBO-HRAATJIYSA-N 1 2 421.549 2.810 20 0 HFADLO Cc1cccn2cc(CCNC(=O)C(=O)N3CCC(c4cccc(F)c4)CC3)[nH+]c12 ZINC000806537547 1079775733 /nfs/dbraw/zinc/77/57/33/1079775733.db2.gz LOIKFMHUVCXOHA-UHFFFAOYSA-N 1 2 408.477 2.847 20 0 HFADLO O=C(N[C@H](c1nn[nH]n1)c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000806544873 1079783467 /nfs/dbraw/zinc/78/34/67/1079783467.db2.gz AHZWCIZZVNPKPM-MSOLQXFVSA-N 1 2 412.444 2.563 20 0 HFADLO O=C(N[C@H](c1nn[nH]n1)c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000806544873 1079783481 /nfs/dbraw/zinc/78/34/81/1079783481.db2.gz AHZWCIZZVNPKPM-MSOLQXFVSA-N 1 2 412.444 2.563 20 0 HFADLO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000806548443 1079786799 /nfs/dbraw/zinc/78/67/99/1079786799.db2.gz IIBDZSWSJBUVGM-MRXNPFEDSA-N 1 2 402.451 2.657 20 0 HFADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000806522227 1079799785 /nfs/dbraw/zinc/79/97/85/1079799785.db2.gz BFEAXUKYSBIVFR-DJPFJPOOSA-N 1 2 411.550 2.654 20 0 HFADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000806522227 1079799790 /nfs/dbraw/zinc/79/97/90/1079799790.db2.gz BFEAXUKYSBIVFR-DJPFJPOOSA-N 1 2 411.550 2.654 20 0 HFADLO C[C@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806571624 1079830421 /nfs/dbraw/zinc/83/04/21/1079830421.db2.gz LEGMKHILBUNJIE-INIZCTEOSA-N 1 2 403.523 2.960 20 0 HFADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000806603884 1079846367 /nfs/dbraw/zinc/84/63/67/1079846367.db2.gz AQYQYNHHQIEAMN-FUHWJXTLSA-N 1 2 421.328 2.609 20 0 HFADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2ccc(Cl)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000806603884 1079846381 /nfs/dbraw/zinc/84/63/81/1079846381.db2.gz AQYQYNHHQIEAMN-FUHWJXTLSA-N 1 2 421.328 2.609 20 0 HFADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000806743377 1079997472 /nfs/dbraw/zinc/99/74/72/1079997472.db2.gz QCJCPICUIVPVFG-INIZCTEOSA-N 1 2 401.442 2.912 20 0 HFADLO CC[C@@H](NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1nccs1 ZINC000806840585 1080053034 /nfs/dbraw/zinc/05/30/34/1080053034.db2.gz PBDXNRWFZQDSOS-JKSUJKDBSA-N 1 2 423.583 2.931 20 0 HFADLO CC(=O)NCC[C@@H]1CCCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000806867800 1080067855 /nfs/dbraw/zinc/06/78/55/1080067855.db2.gz PORLAMYCGOOSRJ-IBGZPJMESA-N 1 2 415.582 2.669 20 0 HFADLO Cn1ncc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1-c1ccccc1 ZINC000806867771 1080067918 /nfs/dbraw/zinc/06/79/18/1080067918.db2.gz OMTOBLIKMHFHFB-UHFFFAOYSA-N 1 2 400.442 2.528 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCC(C3CC3)C3CC3)CC2)C1 ZINC000806879982 1080078982 /nfs/dbraw/zinc/07/89/82/1080078982.db2.gz MFFFOPGUFHXCFX-GOSISDBHSA-N 1 2 406.571 2.759 20 0 HFADLO CCSCC[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806888178 1080085582 /nfs/dbraw/zinc/08/55/82/1080085582.db2.gz JZQSQDMDJPNMAR-SJORKVTESA-N 1 2 414.616 2.855 20 0 HFADLO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C[C@@H]1C ZINC000806925955 1080095080 /nfs/dbraw/zinc/09/50/80/1080095080.db2.gz TVJYISOJQSDDQI-ZIFCJYIRSA-N 1 2 400.567 2.779 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cnc(C4OCCO4)s3)CC2)cc1 ZINC000806934778 1080141962 /nfs/dbraw/zinc/14/19/62/1080141962.db2.gz IZBIVUGNNRNOOJ-UHFFFAOYSA-N 1 2 402.520 2.653 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccc3nc(C(F)F)sc3c2)[nH+]1 ZINC000807032588 1080225755 /nfs/dbraw/zinc/22/57/55/1080225755.db2.gz KPHQZYZWOMMLQE-UHFFFAOYSA-N 1 2 413.797 2.540 20 0 HFADLO COc1ccc([C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c2ccccc2)cc1 ZINC001130827001 1080238267 /nfs/dbraw/zinc/23/82/67/1080238267.db2.gz PPHCHBSGDVWOSJ-VJBWXMMDSA-N 1 2 410.514 2.781 20 0 HFADLO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000807056648 1080239574 /nfs/dbraw/zinc/23/95/74/1080239574.db2.gz GWQKCJYLLSLDSJ-VHSSKADRSA-N 1 2 413.534 2.863 20 0 HFADLO CSCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000807056648 1080239585 /nfs/dbraw/zinc/23/95/85/1080239585.db2.gz GWQKCJYLLSLDSJ-VHSSKADRSA-N 1 2 413.534 2.863 20 0 HFADLO C[C@@H]1C[C@H](CCNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCO1 ZINC000807103543 1080282987 /nfs/dbraw/zinc/28/29/87/1080282987.db2.gz NMBIVOWJBLSMRZ-GUDVDZBRSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1nccs1 ZINC000807108887 1080286367 /nfs/dbraw/zinc/28/63/67/1080286367.db2.gz VPTLSCDOTCMGTH-HOTGVXAUSA-N 1 2 423.583 2.583 20 0 HFADLO CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000807149502 1080307510 /nfs/dbraw/zinc/30/75/10/1080307510.db2.gz DCBYHONUACRBRX-QZTJIDSGSA-N 1 2 403.527 2.631 20 0 HFADLO CCOC1CC(CCNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000807169817 1080324676 /nfs/dbraw/zinc/32/46/76/1080324676.db2.gz OXEMYZFOXGPZES-XBMUEBEBSA-N 1 2 424.586 2.528 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Sc1ccnc2cc(Cl)ccc21 ZINC000807282167 1080440983 /nfs/dbraw/zinc/44/09/83/1080440983.db2.gz FTPDMLASJADZLN-LRDDRELGSA-N 1 2 418.906 2.923 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1nc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000807284169 1080442202 /nfs/dbraw/zinc/44/22/02/1080442202.db2.gz OEPUNUHEANZOGB-CQSZACIVSA-N 1 2 422.363 2.837 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Br)c2cc(C)oc21 ZINC000807282801 1080442278 /nfs/dbraw/zinc/44/22/78/1080442278.db2.gz ARYRDMLWPZXJLO-AWEZNQCLSA-N 1 2 406.236 2.672 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1sc(C(C)(C)c2ccccc2)nc1C ZINC000807285136 1080444407 /nfs/dbraw/zinc/44/44/07/1080444407.db2.gz UHEHENISNWWYPD-MRXNPFEDSA-N 1 2 412.515 2.946 20 0 HFADLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)N1CCO[C@@H](C)C1)CC2 ZINC000807259301 1080466762 /nfs/dbraw/zinc/46/67/62/1080466762.db2.gz SHIDWRKPMKRZTE-BXKMTCNYSA-N 1 2 410.514 2.899 20 0 HFADLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC(=O)N1CCO[C@@H](C)C1)CC2 ZINC000807259301 1080466765 /nfs/dbraw/zinc/46/67/65/1080466765.db2.gz SHIDWRKPMKRZTE-BXKMTCNYSA-N 1 2 410.514 2.899 20 0 HFADLO CNc1nc(C)cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC000807362794 1080524609 /nfs/dbraw/zinc/52/46/09/1080524609.db2.gz QQLUNYFJIXSIFM-UHFFFAOYSA-N 1 2 419.327 2.593 20 0 HFADLO O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022290561 1080589721 /nfs/dbraw/zinc/58/97/21/1080589721.db2.gz UGDWXGXAQKTFKJ-UHFFFAOYSA-N 1 2 400.426 2.948 20 0 HFADLO C[C@@H](CNC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)Cn1cc[nH+]c1 ZINC000747400910 1080777252 /nfs/dbraw/zinc/77/72/52/1080777252.db2.gz PKCXZCDLDBWOLV-JJBLJPBOSA-N 1 2 403.446 2.580 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000807559979 1080814303 /nfs/dbraw/zinc/81/43/03/1080814303.db2.gz KFZXYRVCZAQYGE-FUHWJXTLSA-N 1 2 421.328 2.875 20 0 HFADLO Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000807559979 1080814317 /nfs/dbraw/zinc/81/43/17/1080814317.db2.gz KFZXYRVCZAQYGE-FUHWJXTLSA-N 1 2 421.328 2.875 20 0 HFADLO COc1ccc(Cn2cc(C[NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)nn2)cc1 ZINC001461205929 1126194122 /nfs/dbraw/zinc/19/41/22/1126194122.db2.gz UQLXUBRRYMQCDP-UXHICEINSA-N 1 2 420.435 2.959 20 0 HFADLO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(S(C)(=O)=O)cn2)CC3)cs1 ZINC001164692215 719812314 /nfs/dbraw/zinc/81/23/14/719812314.db2.gz OKSBTZFSBFFFEC-UHFFFAOYSA-N 1 2 406.577 2.885 20 0 HFADLO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(S(C)(=O)=O)cn2)CC3)cs1 ZINC001164692215 719812315 /nfs/dbraw/zinc/81/23/15/719812315.db2.gz OKSBTZFSBFFFEC-UHFFFAOYSA-N 1 2 406.577 2.885 20 0 HFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc2c(Cl)cccc2n1 ZINC001164701620 719849641 /nfs/dbraw/zinc/84/96/41/719849641.db2.gz MOHKNJIJFGDTNC-JLTOFOAXSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2cc(Cl)ccc2n1 ZINC001164706693 719857247 /nfs/dbraw/zinc/85/72/47/719857247.db2.gz YLMPLRUYLCCTDH-UZLBHIALSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2cc(Cl)ccc2n1 ZINC001164706684 719857286 /nfs/dbraw/zinc/85/72/86/719857286.db2.gz YLMPLRUYLCCTDH-JXFKEZNVSA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C(C)(C)C)n1 ZINC001164707145 719864654 /nfs/dbraw/zinc/86/46/54/719864654.db2.gz QUPABFDHKYVNBP-VBKZILBWSA-N 1 2 410.946 2.660 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)c5cc[nH]c5n4)CC3)C2=O)cs1 ZINC001164820097 720374076 /nfs/dbraw/zinc/37/40/76/720374076.db2.gz LDINLGCWWCBKHB-UHFFFAOYSA-N 1 2 424.574 2.949 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)c5cc[nH]c5n4)CC3)C2=O)cs1 ZINC001164820097 720374084 /nfs/dbraw/zinc/37/40/84/720374084.db2.gz LDINLGCWWCBKHB-UHFFFAOYSA-N 1 2 424.574 2.949 20 0 HFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164860877 720895510 /nfs/dbraw/zinc/89/55/10/720895510.db2.gz VPCGFGJTKWRWNF-UHFFFAOYSA-N 1 2 424.814 2.631 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001164880770 721324424 /nfs/dbraw/zinc/32/44/24/721324424.db2.gz ZBUBRMLCLLDHDQ-LSBZLQRGSA-N 1 2 415.925 2.670 20 0 HFADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001164880770 721324431 /nfs/dbraw/zinc/32/44/31/721324431.db2.gz ZBUBRMLCLLDHDQ-LSBZLQRGSA-N 1 2 415.925 2.670 20 0 HFADLO CN(C)c1cc(Cl)nc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781108 721396803 /nfs/dbraw/zinc/39/68/03/721396803.db2.gz BPYUJWMZMLLZGP-VXGBXAGGSA-N 1 2 414.913 2.766 20 0 HFADLO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164781939 721427548 /nfs/dbraw/zinc/42/75/48/721427548.db2.gz DVKYUMKALUOENR-NXEZZACHSA-N 1 2 411.869 2.528 20 0 HFADLO COc1cccc(-c2ccnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)n2)c1 ZINC001165008249 721708280 /nfs/dbraw/zinc/70/82/80/721708280.db2.gz DGKWCDHFYVQROT-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO COc1cccc(-c2ccnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)n2)c1 ZINC001165008249 721708292 /nfs/dbraw/zinc/70/82/92/721708292.db2.gz DGKWCDHFYVQROT-UHFFFAOYSA-N 1 2 407.522 2.994 20 0 HFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001165011313 721718539 /nfs/dbraw/zinc/71/85/39/721718539.db2.gz OUAVUDRSIYQAJZ-UHFFFAOYSA-N 1 2 422.324 2.569 20 0 HFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c(Cl)ncnc31)C2 ZINC001165011313 721718541 /nfs/dbraw/zinc/71/85/41/721718541.db2.gz OUAVUDRSIYQAJZ-UHFFFAOYSA-N 1 2 422.324 2.569 20 0 HFADLO Clc1ccnc(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914621 721781255 /nfs/dbraw/zinc/78/12/55/721781255.db2.gz FKQUPCLMFBHDCX-LJQANCHMSA-N 1 2 409.317 2.891 20 0 HFADLO Clc1ccnc(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914621 721781259 /nfs/dbraw/zinc/78/12/59/721781259.db2.gz FKQUPCLMFBHDCX-LJQANCHMSA-N 1 2 409.317 2.891 20 0 HFADLO Cc1cc(Cl)c(C)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916324 721785598 /nfs/dbraw/zinc/78/55/98/721785598.db2.gz PVGMNGUJQOFXJT-NRFANRHFSA-N 1 2 402.926 2.855 20 0 HFADLO Cc1cc(Cl)c(C)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916324 721785604 /nfs/dbraw/zinc/78/56/04/721785604.db2.gz PVGMNGUJQOFXJT-NRFANRHFSA-N 1 2 402.926 2.855 20 0 HFADLO c1ccc(-c2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164915310 721793004 /nfs/dbraw/zinc/79/30/04/721793004.db2.gz WBKYZURLJCNSCA-XMMPIXPASA-N 1 2 417.513 2.646 20 0 HFADLO c1ccc(-c2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164915310 721793008 /nfs/dbraw/zinc/79/30/08/721793008.db2.gz WBKYZURLJCNSCA-XMMPIXPASA-N 1 2 417.513 2.646 20 0 HFADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H](CO)C3)c2c1C ZINC001165032932 721878699 /nfs/dbraw/zinc/87/86/99/721878699.db2.gz IGIVTAVAHCJDDJ-HNNXBMFYSA-N 1 2 418.563 2.981 20 0 HFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc3ncccc3nc1Cl)CC2 ZINC001164945843 721974002 /nfs/dbraw/zinc/97/40/02/721974002.db2.gz TVAFXDCNISGYEX-UHFFFAOYSA-N 1 2 422.920 2.649 20 0 HFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc3ncccc3nc1Cl)CC2 ZINC001164945843 721974003 /nfs/dbraw/zinc/97/40/03/721974003.db2.gz TVAFXDCNISGYEX-UHFFFAOYSA-N 1 2 422.920 2.649 20 0 HFADLO Cc1nc(CN2CCO[C@H]3CCN(c4nc(NC5CC5)c(C)c[nH+]4)CC[C@@H]32)cs1 ZINC001164986718 722173652 /nfs/dbraw/zinc/17/36/52/722173652.db2.gz LEDOZJBYTKYHQT-OALUTQOASA-N 1 2 414.579 2.994 20 0 HFADLO CNC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000793029355 1078059406 /nfs/dbraw/zinc/05/94/06/1078059406.db2.gz VBNOKKQKUBUXDP-UHFFFAOYSA-N 1 2 418.400 2.638 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC000793063588 1078060037 /nfs/dbraw/zinc/06/00/37/1078060037.db2.gz RAAHDYCUZXCJGS-MRXNPFEDSA-N 1 2 403.523 2.825 20 0 HFADLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747100660 1078064781 /nfs/dbraw/zinc/06/47/81/1078064781.db2.gz NSMFLVGWUMEBLQ-MRXNPFEDSA-N 1 2 412.412 2.693 20 0 HFADLO C[N@@H+]1CC[C@@H](NC(=O)N(CCO)Cc2cccnc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000793136089 1078087945 /nfs/dbraw/zinc/08/79/45/1078087945.db2.gz XSZDJFFOPCUMRL-MSOLQXFVSA-N 1 2 424.879 2.963 20 0 HFADLO C[N@H+]1CC[C@@H](NC(=O)N(CCO)Cc2cccnc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000793136089 1078087950 /nfs/dbraw/zinc/08/79/50/1078087950.db2.gz XSZDJFFOPCUMRL-MSOLQXFVSA-N 1 2 424.879 2.963 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000793249067 1078110409 /nfs/dbraw/zinc/11/04/09/1078110409.db2.gz DJAGHZCYLLLQHT-UHFFFAOYSA-N 1 2 420.307 2.821 20 0 HFADLO Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000793253223 1078110953 /nfs/dbraw/zinc/11/09/53/1078110953.db2.gz NJPNORDWOOHKAA-CQSZACIVSA-N 1 2 407.417 2.660 20 0 HFADLO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000790754059 1078111081 /nfs/dbraw/zinc/11/10/81/1078111081.db2.gz GCRQKJPSNQHTIH-CABCVRRESA-N 1 2 404.540 2.594 20 0 HFADLO C[C@H]1OCC[C@@]12CN(C(=O)NC1CC[NH+](c3ccc(N(C)C)cc3)CC1)C[C@@H](C)O2 ZINC000790759716 1078112652 /nfs/dbraw/zinc/11/26/52/1078112652.db2.gz HDJVTLIGVQVYPV-PMAPCBKXSA-N 1 2 416.566 2.699 20 0 HFADLO Cc1c(C(=O)Nc2cc(C)[nH+]cc2C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000747111270 1078133309 /nfs/dbraw/zinc/13/33/09/1078133309.db2.gz HCQPHWJNTDYCID-UHFFFAOYSA-N 1 2 414.510 2.845 20 0 HFADLO C[C@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CCO1 ZINC000793329652 1078138682 /nfs/dbraw/zinc/13/86/82/1078138682.db2.gz QWBKSWBBJFGTIR-INIZCTEOSA-N 1 2 403.523 2.825 20 0 HFADLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)CCO1 ZINC000793329652 1078138686 /nfs/dbraw/zinc/13/86/86/1078138686.db2.gz QWBKSWBBJFGTIR-INIZCTEOSA-N 1 2 403.523 2.825 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000793416413 1078177052 /nfs/dbraw/zinc/17/70/52/1078177052.db2.gz LPNCUJIBPSLPEC-XUVXKRRUSA-N 1 2 419.485 2.639 20 0 HFADLO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000793458761 1078193031 /nfs/dbraw/zinc/19/30/31/1078193031.db2.gz SKDYZPJZWPXQJY-APWZRJJASA-N 1 2 409.571 2.782 20 0 HFADLO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000793458761 1078193033 /nfs/dbraw/zinc/19/30/33/1078193033.db2.gz SKDYZPJZWPXQJY-APWZRJJASA-N 1 2 409.571 2.782 20 0 HFADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@H](F)CC1CCCCC1 ZINC000793497769 1078203361 /nfs/dbraw/zinc/20/33/61/1078203361.db2.gz KOFOSGWBRBVUPJ-RBUKOAKNSA-N 1 2 419.545 2.707 20 0 HFADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H](F)CC1CCCCC1 ZINC000793497769 1078203363 /nfs/dbraw/zinc/20/33/63/1078203363.db2.gz KOFOSGWBRBVUPJ-RBUKOAKNSA-N 1 2 419.545 2.707 20 0 HFADLO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCn2c[nH+]cc2C1)OCc1ccccc1 ZINC000793498764 1078203640 /nfs/dbraw/zinc/20/36/40/1078203640.db2.gz MXLUVUADKBFYNT-NRFANRHFSA-N 1 2 404.470 2.763 20 0 HFADLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cnn(Cc4ccccc4)c3Cl)C2)nn1 ZINC000793589558 1078217012 /nfs/dbraw/zinc/21/70/12/1078217012.db2.gz IMTGWRLMITUGKI-KRWDZBQOSA-N 1 2 414.897 2.800 20 0 HFADLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cnn(Cc4ccccc4)c3Cl)C2)nn1 ZINC000793589558 1078217013 /nfs/dbraw/zinc/21/70/13/1078217013.db2.gz IMTGWRLMITUGKI-KRWDZBQOSA-N 1 2 414.897 2.800 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000793647492 1078240981 /nfs/dbraw/zinc/24/09/81/1078240981.db2.gz AXOLQJVGNMECOR-JENIJYKNSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000793647492 1078240985 /nfs/dbraw/zinc/24/09/85/1078240985.db2.gz AXOLQJVGNMECOR-JENIJYKNSA-N 1 2 409.571 2.782 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NC[C@H](O)c2ccccc2Cl)[C@@H]1c1c[nH+]cn1C ZINC000793662017 1078243779 /nfs/dbraw/zinc/24/37/79/1078243779.db2.gz FYVQVODCXJIMGU-MOXGXCLJSA-N 1 2 418.925 2.613 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CN3C(=O)CN(c4ccccc4)C3=O)CC[C@@H]21 ZINC000793703578 1078275461 /nfs/dbraw/zinc/27/54/61/1078275461.db2.gz HHHJHWGMZKKCOD-WMZOPIPTSA-N 1 2 414.506 2.744 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CN3C(=O)CN(c4ccccc4)C3=O)CC[C@@H]21 ZINC000793703578 1078275466 /nfs/dbraw/zinc/27/54/66/1078275466.db2.gz HHHJHWGMZKKCOD-WMZOPIPTSA-N 1 2 414.506 2.744 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)N[C@](C)(C4CCCC4)C3=O)CC[C@H]21 ZINC000793704915 1078276075 /nfs/dbraw/zinc/27/60/75/1078276075.db2.gz KCAJCZPHYPCETA-ZDPZECHZSA-N 1 2 420.554 2.776 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)N[C@](C)(C4CCCC4)C3=O)CC[C@H]21 ZINC000793704915 1078276082 /nfs/dbraw/zinc/27/60/82/1078276082.db2.gz KCAJCZPHYPCETA-ZDPZECHZSA-N 1 2 420.554 2.776 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000793799427 1078301590 /nfs/dbraw/zinc/30/15/90/1078301590.db2.gz GXMLZEGCFICKLF-UHFFFAOYSA-N 1 2 400.385 2.896 20 0 HFADLO Cc1nc2c(s1)[C@H](NC(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)c(F)c1)CCC2 ZINC000793904705 1078334102 /nfs/dbraw/zinc/33/41/02/1078334102.db2.gz VPXIKTMSXIDVSB-MRXNPFEDSA-N 1 2 413.478 2.586 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@@H](O)Cc3ccccc3)cc2Br)CC1 ZINC000793941893 1078353456 /nfs/dbraw/zinc/35/34/56/1078353456.db2.gz DZSXBGPAOXGXNI-IBGZPJMESA-N 1 2 418.335 2.743 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000793980005 1078363341 /nfs/dbraw/zinc/36/33/41/1078363341.db2.gz GEEBPXMBJYEEKF-OAHLLOKOSA-N 1 2 418.519 2.899 20 0 HFADLO Cc1ccc2[nH+]c(CSCC(=O)N(CCO)Cc3cccnc3Cl)cn2c1 ZINC000794334429 1078418203 /nfs/dbraw/zinc/41/82/03/1078418203.db2.gz HDMWOSPUCAEOET-UHFFFAOYSA-N 1 2 404.923 2.945 20 0 HFADLO CCNc1nc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000804376499 1078453689 /nfs/dbraw/zinc/45/36/89/1078453689.db2.gz DIWGKXXKYVMNFS-CQSZACIVSA-N 1 2 407.563 2.677 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000804437918 1078483590 /nfs/dbraw/zinc/48/35/90/1078483590.db2.gz JEEZGPZGEQTGEC-FHJLPGHOSA-N 1 2 417.550 2.748 20 0 HFADLO Cc1nn(-c2ccccc2)c2nc(C(=O)N(C)C(C)(C)C[NH+]3CCOCC3)ccc12 ZINC001129773680 1078484179 /nfs/dbraw/zinc/48/41/79/1078484179.db2.gz RIFUMWAUIMEBHC-UHFFFAOYSA-N 1 2 407.518 2.912 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 ZINC000804438982 1078484211 /nfs/dbraw/zinc/48/42/11/1078484211.db2.gz TVXDUVKSFHDYQC-IEBWSBKVSA-N 1 2 403.523 2.750 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC000804440194 1078504361 /nfs/dbraw/zinc/50/43/61/1078504361.db2.gz VEAHNKMTRWYPMC-FOUBCARRSA-N 1 2 409.571 2.782 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC000804440199 1078504411 /nfs/dbraw/zinc/50/44/11/1078504411.db2.gz VEAHNKMTRWYPMC-WYADAEROSA-N 1 2 409.571 2.782 20 0 HFADLO CC(=O)OC1CCN(c2cc(N3CCC(OC(C)=O)CC3)c3ccncc3[nH+]2)CC1 ZINC000804569859 1078609158 /nfs/dbraw/zinc/60/91/58/1078609158.db2.gz OYOVXYLKBVUDFN-UHFFFAOYSA-N 1 2 412.490 2.694 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCOc4ccccc43)C2)CC1 ZINC000804759980 1078610741 /nfs/dbraw/zinc/61/07/41/1078610741.db2.gz DHUXKJOSNWNKDP-PKOBYXMFSA-N 1 2 415.534 2.706 20 0 HFADLO CCn1c(C)cc(C(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1C ZINC000804760815 1078613055 /nfs/dbraw/zinc/61/30/55/1078613055.db2.gz PPHZNMUYUXXQHV-GOSISDBHSA-N 1 2 404.555 2.892 20 0 HFADLO C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804760788 1078613103 /nfs/dbraw/zinc/61/31/03/1078613103.db2.gz OQEZSPWPOXQMQX-QYZOEREBSA-N 1 2 409.571 2.735 20 0 HFADLO CC(C)c1cc(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cc(=O)[nH]1 ZINC000804764872 1078622542 /nfs/dbraw/zinc/62/25/42/1078622542.db2.gz PXNOXRTWRRWGDX-KRWDZBQOSA-N 1 2 418.538 2.678 20 0 HFADLO COCCNC(=O)[C@H](C)OC(=O)c1ccc(NCc2c[nH+]c3c(C)cccn23)cc1 ZINC000804609462 1078654212 /nfs/dbraw/zinc/65/42/12/1078654212.db2.gz BDRSNLNDLBDJRP-INIZCTEOSA-N 1 2 410.474 2.563 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(c3ccc(Br)cn3)C2)CC1 ZINC000804833627 1078673866 /nfs/dbraw/zinc/67/38/66/1078673866.db2.gz DAPJGEZWCJZFHY-HNNXBMFYSA-N 1 2 411.344 2.976 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCCc3ccccc3F)C2)CC1 ZINC000804860518 1078685935 /nfs/dbraw/zinc/68/59/35/1078685935.db2.gz LVTZIKWBBYUJFS-GOSISDBHSA-N 1 2 420.529 2.705 20 0 HFADLO C[C@@H](Cc1ccco1)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804909879 1078731350 /nfs/dbraw/zinc/73/13/50/1078731350.db2.gz XHYRRVHCWBKDHZ-IRXDYDNUSA-N 1 2 406.527 2.547 20 0 HFADLO COC(=O)c1nnn(-c2ccccc2)c1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001130002035 1078743998 /nfs/dbraw/zinc/74/39/98/1078743998.db2.gz KNJVKZKMHZZDGT-UHFFFAOYSA-N 1 2 402.414 2.551 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000804941918 1078766387 /nfs/dbraw/zinc/76/63/87/1078766387.db2.gz HBNQFPDNPAGEDH-KGLIPLIRSA-N 1 2 421.369 2.517 20 0 HFADLO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)NCc2[nH+]cc(C)c(OC)c2C)s1 ZINC000805028626 1078840194 /nfs/dbraw/zinc/84/01/94/1078840194.db2.gz AMSKCCIFZBUWJW-DGCLKSJQSA-N 1 2 420.539 2.583 20 0 HFADLO COC(C)(C)C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805153384 1078948873 /nfs/dbraw/zinc/94/88/73/1078948873.db2.gz MZVKIAQRAXFIKX-IRXDYDNUSA-N 1 2 412.575 2.527 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)COCc3cccnc3)cc2Br)CC1 ZINC000805200450 1078953161 /nfs/dbraw/zinc/95/31/61/1078953161.db2.gz DFMFNTWACYCDOO-UHFFFAOYSA-N 1 2 419.323 2.751 20 0 HFADLO CCc1cccc2c(CCNC(=O)C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)c[nH]c21 ZINC000805195518 1078970378 /nfs/dbraw/zinc/97/03/78/1078970378.db2.gz SRNOLWVNQIDCAR-SFHVURJKSA-N 1 2 407.518 2.529 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCc3ccc(Cl)cn3)C2)CC1 ZINC000805260613 1079001289 /nfs/dbraw/zinc/00/12/89/1079001289.db2.gz VXPCORZURPCUIB-KRWDZBQOSA-N 1 2 423.945 2.572 20 0 HFADLO CC[N@@H+]1CCO[C@H](C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000805470596 1079088971 /nfs/dbraw/zinc/08/89/71/1079088971.db2.gz ZJFMZOKHPJNSAX-QFIPXVFZSA-N 1 2 410.514 2.522 20 0 HFADLO CC[N@H+]1CCO[C@H](C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000805470596 1079088975 /nfs/dbraw/zinc/08/89/75/1079088975.db2.gz ZJFMZOKHPJNSAX-QFIPXVFZSA-N 1 2 410.514 2.522 20 0 HFADLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000805476808 1079092685 /nfs/dbraw/zinc/09/26/85/1079092685.db2.gz AASRKMQDHLUSAC-MRXNPFEDSA-N 1 2 406.280 2.670 20 0 HFADLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000805476808 1079092687 /nfs/dbraw/zinc/09/26/87/1079092687.db2.gz AASRKMQDHLUSAC-MRXNPFEDSA-N 1 2 406.280 2.670 20 0 HFADLO C[C@H](CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259350 1079147877 /nfs/dbraw/zinc/14/78/77/1079147877.db2.gz BJLMNUAWJAXTEI-MCIONIFRSA-N 1 2 411.428 2.514 20 0 HFADLO C[C@H](CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001130259350 1079147883 /nfs/dbraw/zinc/14/78/83/1079147883.db2.gz BJLMNUAWJAXTEI-MCIONIFRSA-N 1 2 411.428 2.514 20 0 HFADLO CC[C@H](C)C[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C(=O)OC ZINC001130360733 1079230379 /nfs/dbraw/zinc/23/03/79/1079230379.db2.gz YBOBKZBXSFGUNQ-YJBOKZPZSA-N 1 2 400.479 2.620 20 0 HFADLO C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805785438 1079252252 /nfs/dbraw/zinc/25/22/52/1079252252.db2.gz ISRQYUOISOZCNB-DOXZYTNZSA-N 1 2 411.468 2.955 20 0 HFADLO C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805785438 1079252260 /nfs/dbraw/zinc/25/22/60/1079252260.db2.gz ISRQYUOISOZCNB-DOXZYTNZSA-N 1 2 411.468 2.955 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000805761136 1079263037 /nfs/dbraw/zinc/26/30/37/1079263037.db2.gz PVQJLVLNMHMORT-FPOVZHCZSA-N 1 2 416.566 2.572 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000805761136 1079263045 /nfs/dbraw/zinc/26/30/45/1079263045.db2.gz PVQJLVLNMHMORT-FPOVZHCZSA-N 1 2 416.566 2.572 20 0 HFADLO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC001130370942 1079270789 /nfs/dbraw/zinc/27/07/89/1079270789.db2.gz XGIFSABPMOBOHQ-MGPQQGTHSA-N 1 2 417.369 2.552 20 0 HFADLO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC001130370942 1079270795 /nfs/dbraw/zinc/27/07/95/1079270795.db2.gz XGIFSABPMOBOHQ-MGPQQGTHSA-N 1 2 417.369 2.552 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1CCC1OCCO1 ZINC000805830173 1079299929 /nfs/dbraw/zinc/29/99/29/1079299929.db2.gz XKVRKNNZCGVIQF-YOEHRIQHSA-N 1 2 402.413 2.642 20 0 HFADLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1CCC1OCCO1 ZINC000805830173 1079299934 /nfs/dbraw/zinc/29/99/34/1079299934.db2.gz XKVRKNNZCGVIQF-YOEHRIQHSA-N 1 2 402.413 2.642 20 0 HFADLO CCCOC(=O)c1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000747285011 1079358042 /nfs/dbraw/zinc/35/80/42/1079358042.db2.gz YVXLMQWWNPLMSV-UHFFFAOYSA-N 1 2 401.488 2.731 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000805954889 1079372673 /nfs/dbraw/zinc/37/26/73/1079372673.db2.gz OJHNVLKHBJBKSN-IBGZPJMESA-N 1 2 420.557 2.684 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CSc4ccccc43)CC2)cc1 ZINC000806153275 1079469966 /nfs/dbraw/zinc/46/99/66/1079469966.db2.gz MAUOKENXJOESRD-HXUWFJFHSA-N 1 2 424.570 2.801 20 0 HFADLO CN(CC(F)(F)Br)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000806184545 1079478018 /nfs/dbraw/zinc/47/80/18/1079478018.db2.gz HNRCWXYOMJUJRK-UHFFFAOYSA-N 1 2 419.270 2.526 20 0 HFADLO CC[C@@H](C(=O)Nc1ccc(-c2nnc(CNC(=O)OC(C)(C)C)[nH]2)cc1)[NH+](C)C ZINC000772698754 1076752327 /nfs/dbraw/zinc/75/23/27/1076752327.db2.gz YWOPVGVRMIJPPE-HNNXBMFYSA-N 1 2 402.499 2.775 20 0 HFADLO CC[C@@H](C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1)[NH+](C)C ZINC000772698754 1076752332 /nfs/dbraw/zinc/75/23/32/1076752332.db2.gz YWOPVGVRMIJPPE-HNNXBMFYSA-N 1 2 402.499 2.775 20 0 HFADLO CCOc1cnc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cn1 ZINC000787390460 1076805714 /nfs/dbraw/zinc/80/57/14/1076805714.db2.gz SPWGMYOYBRAKNB-UHFFFAOYSA-N 1 2 420.311 2.642 20 0 HFADLO Cn1c(SCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nc2ccccc2c1=O ZINC000787488631 1076844631 /nfs/dbraw/zinc/84/46/31/1076844631.db2.gz SJLUMPRQIVKFDG-UHFFFAOYSA-N 1 2 404.536 2.578 20 0 HFADLO CCOC(=O)C1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CCC1 ZINC000787537816 1076853113 /nfs/dbraw/zinc/85/31/13/1076853113.db2.gz WBJYQONTUXVXLK-UHFFFAOYSA-N 1 2 424.339 2.873 20 0 HFADLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)OCc3cc[nH+]c(N)c3)c2)C1 ZINC000787593982 1076863668 /nfs/dbraw/zinc/86/36/68/1076863668.db2.gz YPPJHIPXSADJBW-GASCZTMLSA-N 1 2 403.504 2.687 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(=O)[nH]c3)cc2Br)CC1 ZINC000787577259 1076870078 /nfs/dbraw/zinc/87/00/78/1076870078.db2.gz UYSDRESGWZQXAP-UHFFFAOYSA-N 1 2 419.323 2.873 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(N)=O)s3)cc2Br)CC1 ZINC000787674259 1076889620 /nfs/dbraw/zinc/88/96/20/1076889620.db2.gz LWXVZLVCHWQYAX-UHFFFAOYSA-N 1 2 423.336 2.614 20 0 HFADLO CC1=C(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)C(=O)OC1(C)C ZINC000787676640 1076893107 /nfs/dbraw/zinc/89/31/07/1076893107.db2.gz YLOBJRDXZSGTAB-UHFFFAOYSA-N 1 2 422.323 2.791 20 0 HFADLO C[C@H]1CC[C@H](C)N1C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787903809 1076988917 /nfs/dbraw/zinc/98/89/17/1076988917.db2.gz YEGNSUFNWIBAQM-KBPBESRZSA-N 1 2 423.355 2.539 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000787997177 1077023280 /nfs/dbraw/zinc/02/32/80/1077023280.db2.gz QAYGNPYWYNYYPM-NRFANRHFSA-N 1 2 408.543 2.620 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000787997177 1077023284 /nfs/dbraw/zinc/02/32/84/1077023284.db2.gz QAYGNPYWYNYYPM-NRFANRHFSA-N 1 2 408.543 2.620 20 0 HFADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000788002678 1077024859 /nfs/dbraw/zinc/02/48/59/1077024859.db2.gz HDVDYXQUBXSYLH-KRWDZBQOSA-N 1 2 405.539 2.982 20 0 HFADLO COC(=O)NCCc1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000788062467 1077046368 /nfs/dbraw/zinc/04/63/68/1077046368.db2.gz XRKWSFUCYRJBMS-UHFFFAOYSA-N 1 2 407.473 2.600 20 0 HFADLO Cc1nn(C)c(Cl)c1CN(C)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000788236655 1077089984 /nfs/dbraw/zinc/08/99/84/1077089984.db2.gz PLEMNLGUBAVCDL-HNNXBMFYSA-N 1 2 407.921 2.690 20 0 HFADLO COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(C)cc1C ZINC000788328455 1077103101 /nfs/dbraw/zinc/10/31/01/1077103101.db2.gz QHPKJHQTIPGUPM-UHFFFAOYSA-N 1 2 406.442 2.531 20 0 HFADLO Cn1ccc2cccc(NC(=O)N3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c21 ZINC000788311684 1077115824 /nfs/dbraw/zinc/11/58/24/1077115824.db2.gz XYJZASLUGVSPOZ-INIZCTEOSA-N 1 2 401.511 2.851 20 0 HFADLO Cn1ccc2cccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c21 ZINC000788311684 1077115826 /nfs/dbraw/zinc/11/58/26/1077115826.db2.gz XYJZASLUGVSPOZ-INIZCTEOSA-N 1 2 401.511 2.851 20 0 HFADLO O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1CN1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788380514 1077136084 /nfs/dbraw/zinc/13/60/84/1077136084.db2.gz ZVAHGPDAEZHMKB-AUSIDOKSSA-N 1 2 406.486 2.666 20 0 HFADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000788381422 1077136807 /nfs/dbraw/zinc/13/68/07/1077136807.db2.gz WLRWCYOMGOYJSF-FOIQADDNSA-N 1 2 418.856 2.752 20 0 HFADLO Cc1cc(NC(=O)C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)ccc1Br ZINC000788470450 1077170400 /nfs/dbraw/zinc/17/04/00/1077170400.db2.gz HBQHRAIYASADRJ-KRWDZBQOSA-N 1 2 407.312 2.865 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+](CCN2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000788475167 1077171322 /nfs/dbraw/zinc/17/13/22/1077171322.db2.gz CSWMUNJSJLHELR-IBGZPJMESA-N 1 2 411.493 2.891 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 ZINC000788607415 1077205933 /nfs/dbraw/zinc/20/59/33/1077205933.db2.gz ZWXGIIBTABYEMY-QGZVFWFLSA-N 1 2 423.498 2.623 20 0 HFADLO COc1ccc(C(=O)[N-]C(=O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC001170086865 1077218303 /nfs/dbraw/zinc/21/83/03/1077218303.db2.gz YQWZJSOJWLKQAE-KRWDZBQOSA-N 1 2 415.559 2.775 20 0 HFADLO COc1ccc(C(=O)[N-]C(=O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC001170086865 1077218308 /nfs/dbraw/zinc/21/83/08/1077218308.db2.gz YQWZJSOJWLKQAE-KRWDZBQOSA-N 1 2 415.559 2.775 20 0 HFADLO COc1ccc(C(=O)[N-]C(=O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC001170086865 1077218311 /nfs/dbraw/zinc/21/83/11/1077218311.db2.gz YQWZJSOJWLKQAE-KRWDZBQOSA-N 1 2 415.559 2.775 20 0 HFADLO COc1ccc(C(=O)[N-]C(=O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC001170086865 1077218315 /nfs/dbraw/zinc/21/83/15/1077218315.db2.gz YQWZJSOJWLKQAE-KRWDZBQOSA-N 1 2 415.559 2.775 20 0 HFADLO COC(=O)c1sc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(C)c1Cl ZINC000788617291 1077229156 /nfs/dbraw/zinc/22/91/56/1077229156.db2.gz DNMXIYMWCLVSRE-LLVKDONJSA-N 1 2 403.913 2.719 20 0 HFADLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)c3ccc(C)nc3Cl)CC2)oc1C ZINC000788624831 1077233791 /nfs/dbraw/zinc/23/37/91/1077233791.db2.gz GDBZVHQTIRSPEG-UHFFFAOYSA-N 1 2 412.943 2.839 20 0 HFADLO CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000790987841 1077262085 /nfs/dbraw/zinc/26/20/85/1077262085.db2.gz IWGNWBITEVXUFH-RDJZCZTQSA-N 1 2 404.536 2.864 20 0 HFADLO COc1ccc(CCS(=O)(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000788701893 1077264156 /nfs/dbraw/zinc/26/41/56/1077264156.db2.gz FXMIGQUYNQZLKZ-UHFFFAOYSA-N 1 2 403.548 2.980 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000788696961 1077275241 /nfs/dbraw/zinc/27/52/41/1077275241.db2.gz CCXQMFRJULTKCT-GHXNOFRVSA-N 1 2 417.369 2.792 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000788696961 1077275247 /nfs/dbraw/zinc/27/52/47/1077275247.db2.gz CCXQMFRJULTKCT-GHXNOFRVSA-N 1 2 417.369 2.792 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)/C=C\c2ccccc2Br)C[C@H](C)O1 ZINC000788697476 1077275277 /nfs/dbraw/zinc/27/52/77/1077275277.db2.gz PFAIAARJZJJJCH-LDPUDYSASA-N 1 2 417.369 2.791 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)/C=C\c2ccccc2Br)C[C@H](C)O1 ZINC000788697476 1077275284 /nfs/dbraw/zinc/27/52/84/1077275284.db2.gz PFAIAARJZJJJCH-LDPUDYSASA-N 1 2 417.369 2.791 20 0 HFADLO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000788753918 1077277330 /nfs/dbraw/zinc/27/73/30/1077277330.db2.gz PRYLQJZRXLIMNI-KRWDZBQOSA-N 1 2 400.523 2.945 20 0 HFADLO COC(=O)/C(=C\c1c[nH+]c2c(C)cc(Br)cn12)CN1CCC(=O)CC1 ZINC000788738146 1077285689 /nfs/dbraw/zinc/28/56/89/1077285689.db2.gz HMLPXJAYBCHGRR-JYRVWZFOSA-N 1 2 406.280 2.627 20 0 HFADLO COC(=O)N1CCN(c2cc[nH+]cc2NS(=O)(=O)c2cccc(Cl)c2C)CC1 ZINC000791108455 1077300327 /nfs/dbraw/zinc/30/03/27/1077300327.db2.gz HBRWJJQKOKIDEW-UHFFFAOYSA-N 1 2 424.910 2.733 20 0 HFADLO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)CCN1C(=O)OC(C)(C)C ZINC000788786205 1077302684 /nfs/dbraw/zinc/30/26/84/1077302684.db2.gz WOPRUCGUCPPWSK-BARDWOONSA-N 1 2 409.531 2.910 20 0 HFADLO Cc1cc(C)c(N2CC[C@@H](NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2=O)c(C)c1 ZINC000788817477 1077307124 /nfs/dbraw/zinc/30/71/24/1077307124.db2.gz BPMKEOUVESRKPN-RBUKOAKNSA-N 1 2 407.518 2.690 20 0 HFADLO Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000788835373 1077314813 /nfs/dbraw/zinc/31/48/13/1077314813.db2.gz CDTMWCLARQLQKQ-UHFFFAOYSA-N 1 2 408.433 2.885 20 0 HFADLO Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000788835373 1077314815 /nfs/dbraw/zinc/31/48/15/1077314815.db2.gz CDTMWCLARQLQKQ-UHFFFAOYSA-N 1 2 408.433 2.885 20 0 HFADLO CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788835381 1077314835 /nfs/dbraw/zinc/31/48/35/1077314835.db2.gz SIYXUQLLLSBDGU-DOTOQJQBSA-N 1 2 407.536 2.804 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)/C=C/c3ccc(Br)o3)cc2C1 ZINC000788836758 1077315905 /nfs/dbraw/zinc/31/59/05/1077315905.db2.gz QOAQWRBEDMWQDG-GQCTYLIASA-N 1 2 404.264 2.537 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)/C=C/c3ccc(Br)o3)cc2C1 ZINC000788836758 1077315909 /nfs/dbraw/zinc/31/59/09/1077315909.db2.gz QOAQWRBEDMWQDG-GQCTYLIASA-N 1 2 404.264 2.537 20 0 HFADLO CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000788951176 1077359814 /nfs/dbraw/zinc/35/98/14/1077359814.db2.gz RKMPJZXIFWDFMH-FUHWJXTLSA-N 1 2 404.511 2.891 20 0 HFADLO Cc1cccn2cc(CCNC(=O)N3CCCN(C(=O)OCC(C)C)CC3)[nH+]c12 ZINC000746775543 1077363386 /nfs/dbraw/zinc/36/33/86/1077363386.db2.gz GQPXPLYXQDJNHP-UHFFFAOYSA-N 1 2 401.511 2.695 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cn1cc(Br)ccc1=O ZINC000791319892 1077372326 /nfs/dbraw/zinc/37/23/26/1077372326.db2.gz LKGPJNDABJDANH-UHFFFAOYSA-N 1 2 402.248 2.848 20 0 HFADLO Cc1ccc(C2(CNC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CCC2)cc1C ZINC000788992780 1077375180 /nfs/dbraw/zinc/37/51/80/1077375180.db2.gz KFLHESOCDSISBK-UHFFFAOYSA-N 1 2 421.607 2.533 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 ZINC000791362843 1077393669 /nfs/dbraw/zinc/39/36/69/1077393669.db2.gz DBNDLKJQHKBMSU-LEWJYISDSA-N 1 2 423.444 2.639 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000791455787 1077413504 /nfs/dbraw/zinc/41/35/04/1077413504.db2.gz TVLVCQCCEULJJH-SFTDATJTSA-N 1 2 409.486 2.665 20 0 HFADLO Cc1nc(CC2CC2)sc1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000789181058 1077427288 /nfs/dbraw/zinc/42/72/88/1077427288.db2.gz KHXCIRNLJBCJKN-UHFFFAOYSA-N 1 2 419.572 2.967 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3ccccc3Cn3cc[nH+]c3)C2)c1 ZINC000791488427 1077428398 /nfs/dbraw/zinc/42/83/98/1077428398.db2.gz OPSJIBLBJQBXHJ-QFIPXVFZSA-N 1 2 420.469 2.758 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C2)c1 ZINC000791489454 1077428982 /nfs/dbraw/zinc/42/89/82/1077428982.db2.gz BSKPYUTVSSKHKH-FQEVSTJZSA-N 1 2 410.474 2.508 20 0 HFADLO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000789293975 1077500976 /nfs/dbraw/zinc/50/09/76/1077500976.db2.gz NNWCJNKJJNCDRF-ZCNNSNEGSA-N 1 2 408.564 2.933 20 0 HFADLO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000789293975 1077500978 /nfs/dbraw/zinc/50/09/78/1077500978.db2.gz NNWCJNKJJNCDRF-ZCNNSNEGSA-N 1 2 408.564 2.933 20 0 HFADLO C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000789306473 1077508156 /nfs/dbraw/zinc/50/81/56/1077508156.db2.gz JSIIRYXJTLNPLS-FGTMMUONSA-N 1 2 406.502 2.532 20 0 HFADLO C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000789306473 1077508163 /nfs/dbraw/zinc/50/81/63/1077508163.db2.gz JSIIRYXJTLNPLS-FGTMMUONSA-N 1 2 406.502 2.532 20 0 HFADLO O=C(OCc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000791645671 1077509390 /nfs/dbraw/zinc/50/93/90/1077509390.db2.gz LQOYSEIIUMQWCD-AZUAARDMSA-N 1 2 413.470 2.753 20 0 HFADLO O=C(OCc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000791645671 1077509393 /nfs/dbraw/zinc/50/93/93/1077509393.db2.gz LQOYSEIIUMQWCD-AZUAARDMSA-N 1 2 413.470 2.753 20 0 HFADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001170101807 1077516156 /nfs/dbraw/zinc/51/61/56/1077516156.db2.gz MEYLPNXGQFVVAK-GOSISDBHSA-N 1 2 412.925 2.722 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000791662235 1077516388 /nfs/dbraw/zinc/51/63/88/1077516388.db2.gz ORLZUHGTHHPQMT-RVZJWNSFSA-N 1 2 415.317 2.777 20 0 HFADLO Cc1cc(N2C[C@@H](C(=O)OCc3cc[nH+]c(N)c3)CC2=O)ccc1Br ZINC000791686562 1077528648 /nfs/dbraw/zinc/52/86/48/1077528648.db2.gz HGROUMRZQQROQS-ZDUSSCGKSA-N 1 2 404.264 2.831 20 0 HFADLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789373895 1077544204 /nfs/dbraw/zinc/54/42/04/1077544204.db2.gz HPYMYEHZZODTIB-QFBILLFUSA-N 1 2 407.580 2.811 20 0 HFADLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789373895 1077544210 /nfs/dbraw/zinc/54/42/10/1077544210.db2.gz HPYMYEHZZODTIB-QFBILLFUSA-N 1 2 407.580 2.811 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C(=O)NCC(C)C)CC2)C1=O ZINC000789425856 1077555004 /nfs/dbraw/zinc/55/50/04/1077555004.db2.gz REWBVLUCFUWLGY-QFIPXVFZSA-N 1 2 406.571 2.565 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)C1=O ZINC000789439939 1077573402 /nfs/dbraw/zinc/57/34/02/1077573402.db2.gz DJLFLSSXWQFFRS-VXKWHMMOSA-N 1 2 403.498 2.813 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)C1=O ZINC000789439939 1077573405 /nfs/dbraw/zinc/57/34/05/1077573405.db2.gz DJLFLSSXWQFFRS-VXKWHMMOSA-N 1 2 403.498 2.813 20 0 HFADLO C[C@]12CC[N@H+](CN3C(=O)N[C@@]4(CCc5ccccc5C4)C3=O)C[C@H]1C2(Cl)Cl ZINC000789478488 1077609333 /nfs/dbraw/zinc/60/93/33/1077609333.db2.gz IQDRRZMMAQKZNM-AYOQOUSVSA-N 1 2 408.329 2.939 20 0 HFADLO C[C@]12CC[N@@H+](CN3C(=O)N[C@@]4(CCc5ccccc5C4)C3=O)C[C@H]1C2(Cl)Cl ZINC000789478488 1077609337 /nfs/dbraw/zinc/60/93/37/1077609337.db2.gz IQDRRZMMAQKZNM-AYOQOUSVSA-N 1 2 408.329 2.939 20 0 HFADLO COc1ccc(CN2C(=O)C(=O)N(C[N@@H+]3CCC=C(c4ccccc4)C3)C2=O)cc1 ZINC000789544800 1077637504 /nfs/dbraw/zinc/63/75/04/1077637504.db2.gz DISDFKRWCOFLSN-UHFFFAOYSA-N 1 2 405.454 2.733 20 0 HFADLO COc1ccc(CN2C(=O)C(=O)N(C[N@H+]3CCC=C(c4ccccc4)C3)C2=O)cc1 ZINC000789544800 1077637505 /nfs/dbraw/zinc/63/75/05/1077637505.db2.gz DISDFKRWCOFLSN-UHFFFAOYSA-N 1 2 405.454 2.733 20 0 HFADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[NH+](Cc4cccs4)CC3)C2)c1 ZINC000792031231 1077658420 /nfs/dbraw/zinc/65/84/20/1077658420.db2.gz SXOSEEUCKXAOCB-HXUWFJFHSA-N 1 2 415.515 2.603 20 0 HFADLO C[C@H](CC(=O)c1ccccc1)NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792221168 1077748125 /nfs/dbraw/zinc/74/81/25/1077748125.db2.gz MIIJHHKQJOEPHX-QGZVFWFLSA-N 1 2 403.523 2.707 20 0 HFADLO CC[NH+](CC)CCOC(=O)c1cccc(NS(=O)(=O)c2cccc3c2OCO3)c1 ZINC000789751139 1077782661 /nfs/dbraw/zinc/78/26/61/1077782661.db2.gz ZXJXQTWQVAMIFI-UHFFFAOYSA-N 1 2 420.487 2.715 20 0 HFADLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000789751671 1077783747 /nfs/dbraw/zinc/78/37/47/1077783747.db2.gz DCETVKLBKQWYJV-GDBMZVCRSA-N 1 2 420.945 2.566 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccccc1SC(F)F ZINC000789796045 1077801916 /nfs/dbraw/zinc/80/19/16/1077801916.db2.gz FRDAWEMCGGPRFC-UHFFFAOYSA-N 1 2 401.479 2.509 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccccc1SC(F)F ZINC000789796045 1077801921 /nfs/dbraw/zinc/80/19/21/1077801921.db2.gz FRDAWEMCGGPRFC-UHFFFAOYSA-N 1 2 401.479 2.509 20 0 HFADLO COc1ccc(NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(Cl)n1 ZINC000789797795 1077803483 /nfs/dbraw/zinc/80/34/83/1077803483.db2.gz URKAKXBOMDIDAR-UHFFFAOYSA-N 1 2 417.897 2.621 20 0 HFADLO CCc1ccc([C@H]2C[N@H+](CCCN3C(=O)CS/C3=C\C(=O)OC)CCO2)cc1 ZINC000792360195 1077814585 /nfs/dbraw/zinc/81/45/85/1077814585.db2.gz DPPVGSOBUXWHBR-RXWSAZGZSA-N 1 2 404.532 2.602 20 0 HFADLO CCc1ccc([C@H]2C[N@@H+](CCCN3C(=O)CS/C3=C\C(=O)OC)CCO2)cc1 ZINC000792360195 1077814593 /nfs/dbraw/zinc/81/45/93/1077814593.db2.gz DPPVGSOBUXWHBR-RXWSAZGZSA-N 1 2 404.532 2.602 20 0 HFADLO C[C@@H](NC(=O)c1nc(Br)cs1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000792344268 1077828085 /nfs/dbraw/zinc/82/80/85/1077828085.db2.gz KAJBRJRTSVITOI-TZMCWYRMSA-N 1 2 410.337 2.925 20 0 HFADLO C[C@@H](NC(=O)c1nc(Br)cs1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000792344268 1077828092 /nfs/dbraw/zinc/82/80/92/1077828092.db2.gz KAJBRJRTSVITOI-TZMCWYRMSA-N 1 2 410.337 2.925 20 0 HFADLO CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000789916452 1077846187 /nfs/dbraw/zinc/84/61/87/1077846187.db2.gz ZLZOQXGLOOEDDA-INIZCTEOSA-N 1 2 417.497 2.920 20 0 HFADLO COCC[N@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000792466607 1077859963 /nfs/dbraw/zinc/85/99/63/1077859963.db2.gz ZPXMSFGNQPOYQJ-UKRRQHHQSA-N 1 2 404.479 2.758 20 0 HFADLO COCC[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000792466607 1077859970 /nfs/dbraw/zinc/85/99/70/1077859970.db2.gz ZPXMSFGNQPOYQJ-UKRRQHHQSA-N 1 2 404.479 2.758 20 0 HFADLO COCC[N@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CC[C@@H](C)C1 ZINC000792466606 1077860105 /nfs/dbraw/zinc/86/01/05/1077860105.db2.gz ZPXMSFGNQPOYQJ-HIFRSBDPSA-N 1 2 404.479 2.758 20 0 HFADLO COCC[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CC[C@@H](C)C1 ZINC000792466606 1077860110 /nfs/dbraw/zinc/86/01/10/1077860110.db2.gz ZPXMSFGNQPOYQJ-HIFRSBDPSA-N 1 2 404.479 2.758 20 0 HFADLO C[C@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)N1CCc2ccccc21 ZINC000746865075 1077867358 /nfs/dbraw/zinc/86/73/58/1077867358.db2.gz YEDWSIYJROVRLG-GOSISDBHSA-N 1 2 406.530 2.657 20 0 HFADLO C[C@@H]([NH2+]CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1nnnn1C1CC1 ZINC000792473457 1077873270 /nfs/dbraw/zinc/87/32/70/1077873270.db2.gz MJFPPXMFFFFMGM-IERDGZPVSA-N 1 2 402.502 2.833 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cs1 ZINC000789994514 1077894041 /nfs/dbraw/zinc/89/40/41/1077894041.db2.gz PUSJYEDXHFWOOX-CQSZACIVSA-N 1 2 417.535 2.614 20 0 HFADLO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)c1 ZINC000792511162 1077897914 /nfs/dbraw/zinc/89/79/14/1077897914.db2.gz KPIJUZCZHAGPHQ-UHFFFAOYSA-N 1 2 412.515 2.837 20 0 HFADLO Brc1ncn(CC[NH+]2CCN(c3cccc(Br)c3)CC2)n1 ZINC001170185279 1077903849 /nfs/dbraw/zinc/90/38/49/1077903849.db2.gz WLXDAQCUNXWODZ-UHFFFAOYSA-N 1 2 415.133 2.625 20 0 HFADLO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001170257464 1077919908 /nfs/dbraw/zinc/91/99/08/1077919908.db2.gz CAVJSVOXSZIUSR-KRWDZBQOSA-N 1 2 418.950 2.754 20 0 HFADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790130670 1077952016 /nfs/dbraw/zinc/95/20/16/1077952016.db2.gz BTQMKPWXBUBKFD-CQSZACIVSA-N 1 2 408.905 2.825 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000790130693 1077952038 /nfs/dbraw/zinc/95/20/38/1077952038.db2.gz BWAUWQWWXYXXIR-VGSWGCGISA-N 1 2 405.539 2.606 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000790131747 1077952528 /nfs/dbraw/zinc/95/25/28/1077952528.db2.gz KGQFZTYAMXREFX-VGSWGCGISA-N 1 2 408.498 2.934 20 0 HFADLO CCOC(=O)c1ccc(-n2[nH]c(=O)c(CC[NH3+])c2C)nc1-c1ccc(F)cc1F ZINC001170339808 1077952618 /nfs/dbraw/zinc/95/26/18/1077952618.db2.gz GXRIUUBMKQNSFE-UHFFFAOYSA-N 1 2 402.401 2.904 20 0 HFADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000790132633 1077952663 /nfs/dbraw/zinc/95/26/63/1077952663.db2.gz PQUATYPIMPJVQU-QUCCMNQESA-N 1 2 405.539 2.507 20 0 HFADLO CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1 ZINC001170385401 1077956789 /nfs/dbraw/zinc/95/67/89/1077956789.db2.gz HIHQMLDYMPOLHL-HNNXBMFYSA-N 1 2 405.520 2.861 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000790122306 1077958207 /nfs/dbraw/zinc/95/82/07/1077958207.db2.gz QNVCARHUIMVFGI-UHFFFAOYSA-N 1 2 407.902 2.518 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000790122306 1077958209 /nfs/dbraw/zinc/95/82/09/1077958209.db2.gz QNVCARHUIMVFGI-UHFFFAOYSA-N 1 2 407.902 2.518 20 0 HFADLO C[C@@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1nnnn1C1CC1 ZINC000790154896 1077960212 /nfs/dbraw/zinc/96/02/12/1077960212.db2.gz YWQBXACOJFMBGZ-WBMJQRKESA-N 1 2 421.908 2.998 20 0 HFADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)C[C@H]1CCCOC1 ZINC000792765262 1077988462 /nfs/dbraw/zinc/98/84/62/1077988462.db2.gz KZTNIRLLCXZQQR-DZFGPLHGSA-N 1 2 409.596 2.679 20 0 HFADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)C[C@H]1CCCOC1 ZINC000792765262 1077988466 /nfs/dbraw/zinc/98/84/66/1077988466.db2.gz KZTNIRLLCXZQQR-DZFGPLHGSA-N 1 2 409.596 2.679 20 0 HFADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3C[C@@H](C)OC4(CCOCC4)C3)cc2)C[C@H](C)O1 ZINC000790368527 1078016051 /nfs/dbraw/zinc/01/60/51/1078016051.db2.gz JNFZFQVSTYHELZ-CEXWTWQISA-N 1 2 417.550 2.509 20 0 HFADLO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3C[C@@H](C)OC4(CCOCC4)C3)cc2)C[C@H](C)O1 ZINC000790368527 1078016056 /nfs/dbraw/zinc/01/60/56/1078016056.db2.gz JNFZFQVSTYHELZ-CEXWTWQISA-N 1 2 417.550 2.509 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)NCCCOc2ccccc2F)[C@@H]1c1c[nH+]cn1C ZINC000792892551 1078018062 /nfs/dbraw/zinc/01/80/62/1078018062.db2.gz ZNWYSVSFHSWHIK-IIBYNOLFSA-N 1 2 416.497 2.834 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N(CCO)Cc1cccnc1Cl ZINC000792918614 1078025465 /nfs/dbraw/zinc/02/54/65/1078025465.db2.gz UNEGGJYLQCSPQS-UHFFFAOYSA-N 1 2 403.845 2.764 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H](O)COc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000792922232 1078026500 /nfs/dbraw/zinc/02/65/00/1078026500.db2.gz RKMAJUYKAWOCER-YESZJQIVSA-N 1 2 400.466 2.845 20 0 HFADLO CN(C[C@@H]1C[C@H](F)C[N@H+]1C[C@@H](O)COc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000792922232 1078026506 /nfs/dbraw/zinc/02/65/06/1078026506.db2.gz RKMAJUYKAWOCER-YESZJQIVSA-N 1 2 400.466 2.845 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F ZINC000806219930 1079504717 /nfs/dbraw/zinc/50/47/17/1079504717.db2.gz QMGDQOWNPFZDNQ-DZGCQCFKSA-N 1 2 424.427 2.613 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000806259851 1079526257 /nfs/dbraw/zinc/52/62/57/1079526257.db2.gz HNBMLXSTMRNYST-LPHOPBHVSA-N 1 2 404.511 2.822 20 0 HFADLO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[N@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806297873 1079585718 /nfs/dbraw/zinc/58/57/18/1079585718.db2.gz BBADRRQIIRRWOI-NQIIRXRSSA-N 1 2 423.561 2.691 20 0 HFADLO CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806297873 1079585728 /nfs/dbraw/zinc/58/57/28/1079585728.db2.gz BBADRRQIIRRWOI-NQIIRXRSSA-N 1 2 423.561 2.691 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3ccc4c(c3)COC4)C2)CC1 ZINC000806382458 1079632510 /nfs/dbraw/zinc/63/25/10/1079632510.db2.gz LQYGHNZSEBAYOT-IBGZPJMESA-N 1 2 416.522 2.876 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)N[C@H]3CCCc4occc43)CC2)C1 ZINC000806427664 1079673239 /nfs/dbraw/zinc/67/32/39/1079673239.db2.gz MUEBTINCJJCUOW-WMZOPIPTSA-N 1 2 418.538 2.994 20 0 HFADLO CSc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)nc1 ZINC000806406105 1079694303 /nfs/dbraw/zinc/69/43/03/1079694303.db2.gz GGMFKNGMXCNVOY-OAHLLOKOSA-N 1 2 421.567 2.962 20 0 HFADLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000806482939 1079768969 /nfs/dbraw/zinc/76/89/69/1079768969.db2.gz VAXSIGWKKFAQBO-IERDGZPVSA-N 1 2 421.549 2.810 20 0 HFADLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)N=c1ccnc2n(C)[nH]cc1-2 ZINC000806482939 1079768973 /nfs/dbraw/zinc/76/89/73/1079768973.db2.gz VAXSIGWKKFAQBO-IERDGZPVSA-N 1 2 421.549 2.810 20 0 HFADLO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000806486538 1079772856 /nfs/dbraw/zinc/77/28/56/1079772856.db2.gz XGGBRHCBFOQSEM-OALUTQOASA-N 1 2 418.925 2.555 20 0 HFADLO Cc1noc(C)c1CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000806486538 1079772861 /nfs/dbraw/zinc/77/28/61/1079772861.db2.gz XGGBRHCBFOQSEM-OALUTQOASA-N 1 2 418.925 2.555 20 0 HFADLO Cc1cccn2cc(CCNC(=O)C(=O)N[C@@H](c3ccccc3)C3CCOCC3)[nH+]c12 ZINC000806536393 1079808876 /nfs/dbraw/zinc/80/88/76/1079808876.db2.gz CLYPCYXYEYGBOV-NRFANRHFSA-N 1 2 420.513 2.586 20 0 HFADLO COc1c(C)c[nH+]c(CNC(=O)NCc2ccncc2OC[C@@H]2CCOC2)c1C ZINC000806642253 1079898893 /nfs/dbraw/zinc/89/88/93/1079898893.db2.gz ZXXXVUSSWKPXSH-MRXNPFEDSA-N 1 2 400.479 2.517 20 0 HFADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000806743378 1079997521 /nfs/dbraw/zinc/99/75/21/1079997521.db2.gz QCJCPICUIVPVFG-MRXNPFEDSA-N 1 2 401.442 2.912 20 0 HFADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000806745312 1079999534 /nfs/dbraw/zinc/99/95/34/1079999534.db2.gz OSWRIKWAZWIWSC-UHFFFAOYSA-N 1 2 407.405 2.987 20 0 HFADLO NC(=O)c1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)nc1Cl ZINC000806788556 1080009688 /nfs/dbraw/zinc/00/96/88/1080009688.db2.gz FZLLLUVVEKWMHF-UHFFFAOYSA-N 1 2 423.864 2.723 20 0 HFADLO CCc1ccc([C@@H](O)CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000806789410 1080010459 /nfs/dbraw/zinc/01/04/59/1080010459.db2.gz LUNWGOUJKLSOTF-PKTZIBPZSA-N 1 2 411.546 2.525 20 0 HFADLO O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000806835166 1080048727 /nfs/dbraw/zinc/04/87/27/1080048727.db2.gz KNRFYZXJSMDZQV-MLGOLLRUSA-N 1 2 419.394 2.599 20 0 HFADLO O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000806835166 1080048736 /nfs/dbraw/zinc/04/87/36/1080048736.db2.gz KNRFYZXJSMDZQV-MLGOLLRUSA-N 1 2 419.394 2.599 20 0 HFADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000806842006 1080055122 /nfs/dbraw/zinc/05/51/22/1080055122.db2.gz DPPPSCANXFSZRB-GOSISDBHSA-N 1 2 412.490 2.797 20 0 HFADLO Cc1nc(C)c(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)s1 ZINC000806867420 1080068262 /nfs/dbraw/zinc/06/82/62/1080068262.db2.gz RUICKSLEEFDWAQ-MRXNPFEDSA-N 1 2 423.583 2.597 20 0 HFADLO COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000806881463 1080079352 /nfs/dbraw/zinc/07/93/52/1080079352.db2.gz NWSFBIOMMPLUTB-BEFAXECRSA-N 1 2 424.423 2.841 20 0 HFADLO CC[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)C1CCOCC1 ZINC000806896474 1080102602 /nfs/dbraw/zinc/10/26/02/1080102602.db2.gz ULLQWVUPUUFYON-RTBURBONSA-N 1 2 424.586 2.528 20 0 HFADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@@H](C)CCSC ZINC000807051413 1080236135 /nfs/dbraw/zinc/23/61/35/1080236135.db2.gz JGYFWPQZKZELML-XKGZKEIXSA-N 1 2 420.623 2.707 20 0 HFADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C(=O)N[C@@H](C)CCSC ZINC000807051413 1080236143 /nfs/dbraw/zinc/23/61/43/1080236143.db2.gz JGYFWPQZKZELML-XKGZKEIXSA-N 1 2 420.623 2.707 20 0 HFADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807103592 1080282526 /nfs/dbraw/zinc/28/25/26/1080282526.db2.gz OITHLQVBFSENPL-ZWKOTPCHSA-N 1 2 424.586 2.528 20 0 HFADLO O=C(NC1CCCCC1)OC[C@H]1CCCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000807150799 1080308297 /nfs/dbraw/zinc/30/82/97/1080308297.db2.gz XUMWNLRDOUXBKG-ZWKOTPCHSA-N 1 2 403.527 2.821 20 0 HFADLO CS[C@H]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000807205808 1080354775 /nfs/dbraw/zinc/35/47/75/1080354775.db2.gz QSLCCYQSZGBRKL-XLIONFOSSA-N 1 2 418.607 2.628 20 0 HFADLO Cc1cscc1CNC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807183730 1080377365 /nfs/dbraw/zinc/37/73/65/1080377365.db2.gz IUFMXJXLVWVUSH-QGZVFWFLSA-N 1 2 408.568 2.893 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(CSc2nc(C)cs2)cc1 ZINC000807281000 1080439359 /nfs/dbraw/zinc/43/93/59/1080439359.db2.gz NSVVUNFOSUWAQZ-INIZCTEOSA-N 1 2 416.528 2.912 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1 ZINC000807280464 1080439772 /nfs/dbraw/zinc/43/97/72/1080439772.db2.gz HCMDYRRVWOUQLB-INIZCTEOSA-N 1 2 423.498 2.872 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1 ZINC000807280467 1080439966 /nfs/dbraw/zinc/43/99/66/1080439966.db2.gz HCMDYRRVWOUQLB-MRXNPFEDSA-N 1 2 423.498 2.872 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000807281794 1080441014 /nfs/dbraw/zinc/44/10/14/1080441014.db2.gz WNMRYLUQGCNKJZ-HNNXBMFYSA-N 1 2 412.273 2.901 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000807283594 1080443099 /nfs/dbraw/zinc/44/30/99/1080443099.db2.gz CQHQOFKYPBKZAJ-INIZCTEOSA-N 1 2 420.897 2.883 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1sc(-c2ccc(F)c(F)c2)nc1C ZINC000807284743 1080445109 /nfs/dbraw/zinc/44/51/09/1080445109.db2.gz UAHYTEKTFRXEQB-AWEZNQCLSA-N 1 2 406.414 2.565 20 0 HFADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000747391784 1080541874 /nfs/dbraw/zinc/54/18/74/1080541874.db2.gz VEUWECXDKNREPM-UHFFFAOYSA-N 1 2 423.517 2.846 20 0 HFADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2nc(Br)sc2C2CC2)C[C@H](C)O1 ZINC000807435298 1080593431 /nfs/dbraw/zinc/59/34/31/1080593431.db2.gz FFFYTRUMRVKTPW-PHIMTYICSA-N 1 2 402.358 2.964 20 0 HFADLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2nc(Br)sc2C2CC2)C[C@H](C)O1 ZINC000807435298 1080593439 /nfs/dbraw/zinc/59/34/39/1080593439.db2.gz FFFYTRUMRVKTPW-PHIMTYICSA-N 1 2 402.358 2.964 20 0 HFADLO CCCCOc1cnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)c(Cl)c1 ZINC001164641211 719278530 /nfs/dbraw/zinc/27/85/30/719278530.db2.gz UOXXJPIBTOKFFF-UHFFFAOYSA-N 1 2 424.973 2.673 20 0 HFADLO CCCCOc1cnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)c(Cl)c1 ZINC001164641211 719278533 /nfs/dbraw/zinc/27/85/33/719278533.db2.gz UOXXJPIBTOKFFF-UHFFFAOYSA-N 1 2 424.973 2.673 20 0 HFADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)n1 ZINC001164644127 719284266 /nfs/dbraw/zinc/28/42/66/719284266.db2.gz DZCZCAVXTXNTHZ-HNNXBMFYSA-N 1 2 423.989 2.711 20 0 HFADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)n1 ZINC001164644127 719284269 /nfs/dbraw/zinc/28/42/69/719284269.db2.gz DZCZCAVXTXNTHZ-HNNXBMFYSA-N 1 2 423.989 2.711 20 0 HFADLO Cc1cn(-c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)cn1 ZINC001164669810 719518163 /nfs/dbraw/zinc/51/81/63/719518163.db2.gz ACRDNGABZWRCNO-UHFFFAOYSA-N 1 2 422.508 2.981 20 0 HFADLO Cc1cn(-c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)cn1 ZINC001164669810 719518177 /nfs/dbraw/zinc/51/81/77/719518177.db2.gz ACRDNGABZWRCNO-UHFFFAOYSA-N 1 2 422.508 2.981 20 0 HFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(SC)nc2ccsc21 ZINC001164697765 719851652 /nfs/dbraw/zinc/85/16/52/719851652.db2.gz AKBVJFGZMJFXNJ-ORAYPTAESA-N 1 2 422.576 2.646 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(Cl)cccc2n1 ZINC001164698704 719857404 /nfs/dbraw/zinc/85/74/04/719857404.db2.gz CVHZUCZGGIBGOC-XOBRGWDASA-N 1 2 404.898 2.516 20 0 HFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(C)C)nc(Cl)c1C ZINC001164708433 719876500 /nfs/dbraw/zinc/87/65/00/719876500.db2.gz ZDYXVCPLDMNNDB-YWZLYKJASA-N 1 2 410.946 2.795 20 0 HFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(Cl)cn4)CC3)C2=O)cs1 ZINC001164823166 720359576 /nfs/dbraw/zinc/35/95/76/720359576.db2.gz BLDFHKUEOPHIKZ-UHFFFAOYSA-N 1 2 405.955 2.813 20 0 HFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(Cl)cn4)CC3)C2=O)cs1 ZINC001164823166 720359582 /nfs/dbraw/zinc/35/95/82/720359582.db2.gz BLDFHKUEOPHIKZ-UHFFFAOYSA-N 1 2 405.955 2.813 20 0 HFADLO FC(F)(c1cnnc(Cl)c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164771094 721274281 /nfs/dbraw/zinc/27/42/81/721274281.db2.gz ZHYRBOCQVUKCDY-CYBMUJFWSA-N 1 2 406.824 2.982 20 0 HFADLO COC(=O)c1cc2ccccc2nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008152 721709068 /nfs/dbraw/zinc/70/90/68/721709068.db2.gz BOSCUZJHSRWPGZ-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO COC(=O)c1cc2ccccc2nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008152 721709072 /nfs/dbraw/zinc/70/90/72/721709072.db2.gz BOSCUZJHSRWPGZ-UHFFFAOYSA-N 1 2 408.506 2.863 20 0 HFADLO F[C@@H](c1ccnc(Cl)c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916589 721782745 /nfs/dbraw/zinc/78/27/45/721782745.db2.gz QZAGOJSAHHAOGA-WOJBJXKFSA-N 1 2 406.889 2.702 20 0 HFADLO F[C@@H](c1ccnc(Cl)c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916589 721782748 /nfs/dbraw/zinc/78/27/48/721782748.db2.gz QZAGOJSAHHAOGA-WOJBJXKFSA-N 1 2 406.889 2.702 20 0 HFADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053410 722011778 /nfs/dbraw/zinc/01/17/78/722011778.db2.gz FOWVOKKCSUMYKJ-UHFFFAOYSA-N 1 2 410.852 2.826 20 0 HFADLO C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(C[NH+]1CCC(Oc3ccc(F)nc3)CC1)C2=O ZINC000790466163 1078044604 /nfs/dbraw/zinc/04/46/04/1078044604.db2.gz RSLPYSIZQCYEIW-GJZGRUSLSA-N 1 2 404.486 2.768 20 0 HFADLO CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001170138836 1078048519 /nfs/dbraw/zinc/04/85/19/1078048519.db2.gz FWYKAAUFYJMDOS-ROUUACIJSA-N 1 2 405.543 2.746 20 0 HFADLO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3cnn(-c4ccccc4)n3)cc2)C1=O ZINC000790609293 1078074436 /nfs/dbraw/zinc/07/44/36/1078074436.db2.gz OHGWQWPFUXWSPM-HSZRJFAPSA-N 1 2 416.485 2.782 20 0 HFADLO O=C(NC[C@@H]1CCC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1)OCc1ccccc1 ZINC000793297462 1078121556 /nfs/dbraw/zinc/12/15/56/1078121556.db2.gz IHTAYLVGTRPRIT-NRFANRHFSA-N 1 2 420.517 2.860 20 0 HFADLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1)OCc1ccccc1 ZINC000793297462 1078121564 /nfs/dbraw/zinc/12/15/64/1078121564.db2.gz IHTAYLVGTRPRIT-NRFANRHFSA-N 1 2 420.517 2.860 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCCN(C(=O)OCC(C)C)CC1 ZINC000793330292 1078139873 /nfs/dbraw/zinc/13/98/73/1078139873.db2.gz VRMLIDDHFROPME-UHFFFAOYSA-N 1 2 408.449 2.950 20 0 HFADLO CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cs1 ZINC000793382072 1078160729 /nfs/dbraw/zinc/16/07/29/1078160729.db2.gz IRFCUJGGUNPAIX-UHFFFAOYSA-N 1 2 404.492 2.509 20 0 HFADLO O=C(c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000793416406 1078177125 /nfs/dbraw/zinc/17/71/25/1078177125.db2.gz LPNCUJIBPSLPEC-AQNXPRMDSA-N 1 2 419.485 2.639 20 0 HFADLO Cc1cc(CNC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)n(C)n1 ZINC000790864507 1078181460 /nfs/dbraw/zinc/18/14/60/1078181460.db2.gz BPCINEMAORESFZ-UHFFFAOYSA-N 1 2 411.428 2.655 20 0 HFADLO CCOC(=O)C1(COC)CC[NH+](CN2CC[C@H](CCc3ccccc3)C2=O)CC1 ZINC000793513579 1078196471 /nfs/dbraw/zinc/19/64/71/1078196471.db2.gz BKEQLLZAMKDPKD-FQEVSTJZSA-N 1 2 402.535 2.717 20 0 HFADLO C[N@H+](Cn1ccc(-c2cc(Cl)ccc2Cl)n1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793585918 1078215447 /nfs/dbraw/zinc/21/54/47/1078215447.db2.gz CRXLIXWGLHTCEM-CYBMUJFWSA-N 1 2 403.335 2.780 20 0 HFADLO C[N@@H+](Cn1ccc(-c2cc(Cl)ccc2Cl)n1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793585918 1078215449 /nfs/dbraw/zinc/21/54/49/1078215449.db2.gz CRXLIXWGLHTCEM-CYBMUJFWSA-N 1 2 403.335 2.780 20 0 HFADLO COCC1(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793652549 1078226264 /nfs/dbraw/zinc/22/62/64/1078226264.db2.gz UCAMNJKTCUHLMR-ZWKOTPCHSA-N 1 2 420.554 2.956 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CN3C(=O)CN(c4ccccc4)C3=O)CC[C@H]21 ZINC000793703576 1078275510 /nfs/dbraw/zinc/27/55/10/1078275510.db2.gz HHHJHWGMZKKCOD-SJLPKXTDSA-N 1 2 414.506 2.744 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CN3C(=O)CN(c4ccccc4)C3=O)CC[C@H]21 ZINC000793703576 1078275514 /nfs/dbraw/zinc/27/55/14/1078275514.db2.gz HHHJHWGMZKKCOD-SJLPKXTDSA-N 1 2 414.506 2.744 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@@H+]1CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C1)C2 ZINC000793708428 1078277308 /nfs/dbraw/zinc/27/73/08/1078277308.db2.gz PCRNXVUKJTYFMK-VQIMIIECSA-N 1 2 401.507 2.940 20 0 HFADLO COc1ccc2c(c1)C(=O)N(C[N@H+]1CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C1)C2 ZINC000793708428 1078277311 /nfs/dbraw/zinc/27/73/11/1078277311.db2.gz PCRNXVUKJTYFMK-VQIMIIECSA-N 1 2 401.507 2.940 20 0 HFADLO C[C@@H](SCC1CCC2(CC1)OCCO2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000793965424 1078348539 /nfs/dbraw/zinc/34/85/39/1078348539.db2.gz KBVUYJUHLDEDRC-QGZVFWFLSA-N 1 2 405.564 2.785 20 0 HFADLO O[C@H]1CCC[C@@H]1[NH+]1CCN(c2cc(Br)cnc2Br)CC1 ZINC000804429057 1078474504 /nfs/dbraw/zinc/47/45/04/1078474504.db2.gz CBSWHPVHXLXEPH-AAEUAGOBSA-N 1 2 405.134 2.642 20 0 HFADLO O[C@H]1CCC[C@H]1[NH+]1CCN(c2cc(Br)cnc2Br)CC1 ZINC000804429060 1078474534 /nfs/dbraw/zinc/47/45/34/1078474534.db2.gz CBSWHPVHXLXEPH-YPMHNXCESA-N 1 2 405.134 2.642 20 0 HFADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804437457 1078482278 /nfs/dbraw/zinc/48/22/78/1078482278.db2.gz YZLPTWGKXXDPPG-RDTXWAMCSA-N 1 2 420.916 2.968 20 0 HFADLO Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000804438196 1078483148 /nfs/dbraw/zinc/48/31/48/1078483148.db2.gz LGVZPUNBKMGHAO-RLLQIKCJSA-N 1 2 417.550 2.882 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000804440204 1078504771 /nfs/dbraw/zinc/50/47/71/1078504771.db2.gz VGELHELVXCDKGE-ZBFHGGJFSA-N 1 2 405.495 2.674 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)COC(c2ccccc2)c2ccccc2)CC1 ZINC001129822407 1078517134 /nfs/dbraw/zinc/51/71/34/1078517134.db2.gz AODNERGKNMXIPC-UHFFFAOYSA-N 1 2 412.530 2.598 20 0 HFADLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)CC1 ZINC001129822849 1078517512 /nfs/dbraw/zinc/51/75/12/1078517512.db2.gz NRKYMAKLUKJIBC-UHFFFAOYSA-N 1 2 419.909 2.947 20 0 HFADLO C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNc3cc(N4CCCC4)nc[nH+]3)cc2)C1=O ZINC000804703126 1078568408 /nfs/dbraw/zinc/56/84/08/1078568408.db2.gz SKRAUSFJJOGUPJ-QFIPXVFZSA-N 1 2 406.490 2.914 20 0 HFADLO C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNc3cc(N4CCCC4)[nH+]cn3)cc2)C1=O ZINC000804703126 1078568417 /nfs/dbraw/zinc/56/84/17/1078568417.db2.gz SKRAUSFJJOGUPJ-QFIPXVFZSA-N 1 2 406.490 2.914 20 0 HFADLO CO[C@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC001129940240 1078602318 /nfs/dbraw/zinc/60/23/18/1078602318.db2.gz XEBMXSKNHLIBJL-IRLDBZIGSA-N 1 2 404.470 2.954 20 0 HFADLO CC(C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccnc1 ZINC000804760790 1078613038 /nfs/dbraw/zinc/61/30/38/1078613038.db2.gz OQWZXGSJCIUVKL-UXHICEINSA-N 1 2 416.566 2.975 20 0 HFADLO CC(C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1cccnc1 ZINC000804760791 1078613117 /nfs/dbraw/zinc/61/31/17/1078613117.db2.gz OQWZXGSJCIUVKL-VQTJNVASSA-N 1 2 416.566 2.975 20 0 HFADLO CN(C)c1cccc(C(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804762888 1078617929 /nfs/dbraw/zinc/61/79/29/1078617929.db2.gz VGPTWGJKXVVAQU-IBGZPJMESA-N 1 2 402.539 2.520 20 0 HFADLO CN(C(=O)c1nc(NCc2ccco2)ncc1Cl)C(C)(C)C[NH+]1CCOCC1 ZINC001129658685 1078619966 /nfs/dbraw/zinc/61/99/66/1078619966.db2.gz LNSLYUQCMYCGRJ-UHFFFAOYSA-N 1 2 407.902 2.518 20 0 HFADLO COc1c[nH+]c(NC[C@@H]2COC3(CCCC3)O2)nc1NC[C@H]1COC2(CCCC2)O1 ZINC000804590516 1078624485 /nfs/dbraw/zinc/62/44/85/1078624485.db2.gz XVAWZPNBXGSAKA-JKSUJKDBSA-N 1 2 420.510 2.680 20 0 HFADLO CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C2)CC1 ZINC000804833722 1078673354 /nfs/dbraw/zinc/67/33/54/1078673354.db2.gz IMCNPEFYLWIXOJ-GOSISDBHSA-N 1 2 416.570 2.598 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(c3cc(N4CCCCC4)ncn3)C2)CC1 ZINC000804833722 1078673356 /nfs/dbraw/zinc/67/33/56/1078673356.db2.gz IMCNPEFYLWIXOJ-GOSISDBHSA-N 1 2 416.570 2.598 20 0 HFADLO COC[C@@]1(CNc2cc(N3CCSCC3)nc[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000804838699 1078679374 /nfs/dbraw/zinc/67/93/74/1078679374.db2.gz KILYGIDIEWSXJM-FQEVSTJZSA-N 1 2 423.583 2.858 20 0 HFADLO COC[C@@]1(CNc2cc(N3CCSCC3)[nH+]cn2)CCCN1C(=O)OC(C)(C)C ZINC000804838699 1078679378 /nfs/dbraw/zinc/67/93/78/1078679378.db2.gz KILYGIDIEWSXJM-FQEVSTJZSA-N 1 2 423.583 2.858 20 0 HFADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N(C)CCC[N@H+](C)Cc1ccco1 ZINC000804841239 1078681379 /nfs/dbraw/zinc/68/13/79/1078681379.db2.gz RIXAZGQNDILIMR-UHFFFAOYSA-N 1 2 414.959 2.788 20 0 HFADLO CCc1c(Cl)nc(CS(C)(=O)=O)nc1N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000804841239 1078681382 /nfs/dbraw/zinc/68/13/82/1078681382.db2.gz RIXAZGQNDILIMR-UHFFFAOYSA-N 1 2 414.959 2.788 20 0 HFADLO CC[C@@H](C(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000804876599 1078699799 /nfs/dbraw/zinc/69/97/99/1078699799.db2.gz IJXNZKFIENOIHN-AQNXPRMDSA-N 1 2 409.571 2.926 20 0 HFADLO CC[C@@H](C(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000804876599 1078699806 /nfs/dbraw/zinc/69/98/06/1078699806.db2.gz IJXNZKFIENOIHN-AQNXPRMDSA-N 1 2 409.571 2.926 20 0 HFADLO O=C(OC[C@H]1CCCO1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000804942209 1078769807 /nfs/dbraw/zinc/76/98/07/1078769807.db2.gz DQDCYTFEYXZZKI-OAHLLOKOSA-N 1 2 406.508 2.664 20 0 HFADLO CC(=O)OCCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805056071 1078869784 /nfs/dbraw/zinc/86/97/84/1078869784.db2.gz LYMBYLNFQASBQM-ZWKOTPCHSA-N 1 2 420.934 2.876 20 0 HFADLO CC(=O)OCCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000805056071 1078869791 /nfs/dbraw/zinc/86/97/91/1078869791.db2.gz LYMBYLNFQASBQM-ZWKOTPCHSA-N 1 2 420.934 2.876 20 0 HFADLO Cc1csc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000805057781 1078870586 /nfs/dbraw/zinc/87/05/86/1078870586.db2.gz HPIVLTDEGKUGDK-CVEARBPZSA-N 1 2 423.583 2.849 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(Br)cc1F ZINC000805102043 1078887448 /nfs/dbraw/zinc/88/74/48/1078887448.db2.gz KCDRZUDECXGZKA-WFASDCNBSA-N 1 2 400.292 2.593 20 0 HFADLO CCN(C)C(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000805106718 1078890264 /nfs/dbraw/zinc/89/02/64/1078890264.db2.gz IXKFUAFOSLLLKN-SFHVURJKSA-N 1 2 420.535 2.563 20 0 HFADLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000805162559 1078925715 /nfs/dbraw/zinc/92/57/15/1078925715.db2.gz DRWKKWOHSGEEHA-JKIFEVAISA-N 1 2 419.913 2.956 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC[C@]3(C)CCCS3)C2)CC1 ZINC000805199867 1078972066 /nfs/dbraw/zinc/97/20/66/1078972066.db2.gz GUQYCUSCKBRBDW-UZLBHIALSA-N 1 2 412.600 2.609 20 0 HFADLO CC(C)OCCCCNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805277976 1079005627 /nfs/dbraw/zinc/00/56/27/1079005627.db2.gz OTGVGPCBEDYLOP-GOSISDBHSA-N 1 2 412.575 2.528 20 0 HFADLO C[C@@H](CC(F)(F)F)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805292202 1079013842 /nfs/dbraw/zinc/01/38/42/1079013842.db2.gz JWLIFSBQGVHNSC-UONOGXRCSA-N 1 2 408.465 2.664 20 0 HFADLO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000747238503 1079028756 /nfs/dbraw/zinc/02/87/56/1079028756.db2.gz FGMLZMORJMIVBD-GTBONMDNSA-N 1 2 420.556 2.659 20 0 HFADLO COC(=O)/C=C\c1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000747238503 1079028762 /nfs/dbraw/zinc/02/87/62/1079028762.db2.gz FGMLZMORJMIVBD-GTBONMDNSA-N 1 2 420.556 2.659 20 0 HFADLO COC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)c(Cl)cc1Cl ZINC000747237445 1079031926 /nfs/dbraw/zinc/03/19/26/1079031926.db2.gz KFYRVZZJOIXURF-UHFFFAOYSA-N 1 2 409.335 2.742 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000805424382 1079056353 /nfs/dbraw/zinc/05/63/53/1079056353.db2.gz ZEJFYLRAEDEEKL-CVEARBPZSA-N 1 2 416.513 2.758 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000805424384 1079056705 /nfs/dbraw/zinc/05/67/05/1079056705.db2.gz ZEJFYLRAEDEEKL-HZPDHXFCSA-N 1 2 416.513 2.758 20 0 HFADLO O=C([C@@H]1[C@@H]2CCC(=O)[C@@H]21)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001130210947 1079088193 /nfs/dbraw/zinc/08/81/93/1079088193.db2.gz QCLNLHRVBAMQAN-KBRIMQKVSA-N 1 2 403.280 2.689 20 0 HFADLO CO[C@H](C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1)[C@H]1CCOC1 ZINC001130213364 1079090023 /nfs/dbraw/zinc/09/00/23/1079090023.db2.gz FEOYJXKCGCDCTH-YOEHRIQHSA-N 1 2 423.311 2.515 20 0 HFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCCOc1ccc(S(C)(=O)=O)cc1 ZINC000805549862 1079136927 /nfs/dbraw/zinc/13/69/27/1079136927.db2.gz PTJYALUOQPJZEU-UHFFFAOYSA-N 1 2 424.425 2.649 20 0 HFADLO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000747265611 1079221770 /nfs/dbraw/zinc/22/17/70/1079221770.db2.gz ARMGORGVQFOUFC-ADYSOMBNSA-N 1 2 414.527 2.768 20 0 HFADLO COC(=O)/C=C\c1ccc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000747265611 1079221781 /nfs/dbraw/zinc/22/17/81/1079221781.db2.gz ARMGORGVQFOUFC-ADYSOMBNSA-N 1 2 414.527 2.768 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cc(Cl)ccc1OC ZINC000805774273 1079247016 /nfs/dbraw/zinc/24/70/16/1079247016.db2.gz FYHMGEKLFWDGJP-KRWDZBQOSA-N 1 2 411.930 2.956 20 0 HFADLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NCc1cc(Cl)ccc1OC ZINC000805774273 1079247021 /nfs/dbraw/zinc/24/70/21/1079247021.db2.gz FYHMGEKLFWDGJP-KRWDZBQOSA-N 1 2 411.930 2.956 20 0 HFADLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000805826468 1079296658 /nfs/dbraw/zinc/29/66/58/1079296658.db2.gz ATZWXZYBWVMAKR-MRXNPFEDSA-N 1 2 403.479 2.877 20 0 HFADLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000805826468 1079296663 /nfs/dbraw/zinc/29/66/63/1079296663.db2.gz ATZWXZYBWVMAKR-MRXNPFEDSA-N 1 2 403.479 2.877 20 0 HFADLO O=C(Cc1c(F)cccc1Cl)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000806173638 1079463597 /nfs/dbraw/zinc/46/35/97/1079463597.db2.gz KSOHLPFPUUBATH-UHFFFAOYSA-N 1 2 410.898 2.971 20 0 HFADLO COc1cc(F)ccc1NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806189591 1079481076 /nfs/dbraw/zinc/48/10/76/1079481076.db2.gz LYSPLVIWZYOCIM-MRXNPFEDSA-N 1 2 422.501 2.993 20 0 HFADLO CC(=O)[C@@H]1CC(C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)=NN1c1ccccc1 ZINC001130551124 1079487789 /nfs/dbraw/zinc/48/77/89/1079487789.db2.gz VSGWIEPXRGNPPY-GMAHTHKFSA-N 1 2 404.514 2.596 20 0 HFADLO CC(=O)[C@@H]1CC(C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)=NN1c1ccccc1 ZINC001130551124 1079487790 /nfs/dbraw/zinc/48/77/90/1079487790.db2.gz VSGWIEPXRGNPPY-GMAHTHKFSA-N 1 2 404.514 2.596 20 0 HFADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+](C)Cc2cc3ccccc3o2)C1=O ZINC000746676562 1076751240 /nfs/dbraw/zinc/75/12/40/1076751240.db2.gz LHPGFXURDVFOJE-HSZRJFAPSA-N 1 2 420.469 2.753 20 0 HFADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)Cc2cc3ccccc3o2)C1=O ZINC000746676562 1076751246 /nfs/dbraw/zinc/75/12/46/1076751246.db2.gz LHPGFXURDVFOJE-HSZRJFAPSA-N 1 2 420.469 2.753 20 0 HFADLO C[C@@H]1C[C@@H]1c1ccc(CNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)o1 ZINC000787322849 1076764808 /nfs/dbraw/zinc/76/48/08/1076764808.db2.gz BCEKDSUMJBZPQO-IERDGZPVSA-N 1 2 424.545 2.870 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)NCCCNc3cccc[nH+]3)[nH]n2)C1 ZINC000787378877 1076779664 /nfs/dbraw/zinc/77/96/64/1076779664.db2.gz VAKKHXXTZYSXEA-HNNXBMFYSA-N 1 2 414.510 2.761 20 0 HFADLO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787357065 1076795369 /nfs/dbraw/zinc/79/53/69/1076795369.db2.gz HIKLOSDOTISGLI-ZWKOTPCHSA-N 1 2 405.539 2.868 20 0 HFADLO Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000787357065 1076795370 /nfs/dbraw/zinc/79/53/70/1076795370.db2.gz HIKLOSDOTISGLI-ZWKOTPCHSA-N 1 2 405.539 2.868 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCc4n[nH]cc4C3)cc2Br)CC1 ZINC000787389926 1076805388 /nfs/dbraw/zinc/80/53/88/1076805388.db2.gz PFSKBYYGMSDSEZ-ZDUSSCGKSA-N 1 2 418.339 2.668 20 0 HFADLO CCNC(=O)Nc1ccc(C)c(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000787454261 1076817812 /nfs/dbraw/zinc/81/78/12/1076817812.db2.gz XTWYYNFZGLLPBW-KRWDZBQOSA-N 1 2 414.510 2.503 20 0 HFADLO Cc1cc(Br)cn2cc(CCNC(=O)Cc3ccccc3CO)[nH+]c12 ZINC000787515375 1076832715 /nfs/dbraw/zinc/83/27/15/1076832715.db2.gz PKXVYMDILXOSJA-UHFFFAOYSA-N 1 2 402.292 2.799 20 0 HFADLO Nc1cc(COC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)cc[nH+]1 ZINC000787586566 1076860740 /nfs/dbraw/zinc/86/07/40/1076860740.db2.gz UQOVHRBAWKCOJU-UHFFFAOYSA-N 1 2 416.286 2.768 20 0 HFADLO COc1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000787564061 1076865552 /nfs/dbraw/zinc/86/55/52/1076865552.db2.gz OENILWDCQRRLGP-UHFFFAOYSA-N 1 2 419.503 2.594 20 0 HFADLO Nc1cc(COC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc[nH+]1 ZINC000787585983 1076874474 /nfs/dbraw/zinc/87/44/74/1076874474.db2.gz RFJFOWTYJNYPDC-UHFFFAOYSA-N 1 2 417.531 2.905 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)COc3cccnc3)cc2Br)CC1 ZINC000787676150 1076890264 /nfs/dbraw/zinc/89/02/64/1076890264.db2.gz WMFQPNZSWXDFMT-UHFFFAOYSA-N 1 2 405.296 2.613 20 0 HFADLO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC34CCOCC4)cc2Br)CC1 ZINC000787668442 1076904918 /nfs/dbraw/zinc/90/49/18/1076904918.db2.gz UTJQUMHGWVMSMZ-OAHLLOKOSA-N 1 2 408.340 2.956 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCN(C(=O)CC3CCCCC3)CC2)C1 ZINC000787711236 1076922330 /nfs/dbraw/zinc/92/23/30/1076922330.db2.gz NYULHDPWSLHTKY-CVDCTZTESA-N 1 2 423.598 2.861 20 0 HFADLO Cc1nc(NCc2cccc(C(=O)NCc3cnc(N4CCOCC4)s3)c2)cc[nH+]1 ZINC000787752083 1076927075 /nfs/dbraw/zinc/92/70/75/1076927075.db2.gz VKUPTFIIOXPBSH-UHFFFAOYSA-N 1 2 424.530 2.620 20 0 HFADLO C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787736030 1076935491 /nfs/dbraw/zinc/93/54/91/1076935491.db2.gz FZZFUHOHCZBBFW-JHVJFLLYSA-N 1 2 414.527 2.744 20 0 HFADLO COc1ccc(CC[C@@H](C)NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000787870451 1076967060 /nfs/dbraw/zinc/96/70/60/1076967060.db2.gz GIDXZXATOQODJJ-QGZVFWFLSA-N 1 2 406.486 2.635 20 0 HFADLO COc1ccc(CN2C(=O)C(=O)N(C[N@H+](Cc3ccccc3C)C3CC3)C2=O)cc1 ZINC000746708710 1076983884 /nfs/dbraw/zinc/98/38/84/1076983884.db2.gz KLIISRXNIUYEMW-UHFFFAOYSA-N 1 2 407.470 2.917 20 0 HFADLO COc1ccc(CN2C(=O)C(=O)N(C[N@@H+](Cc3ccccc3C)C3CC3)C2=O)cc1 ZINC000746708710 1076983888 /nfs/dbraw/zinc/98/38/88/1076983888.db2.gz KLIISRXNIUYEMW-UHFFFAOYSA-N 1 2 407.470 2.917 20 0 HFADLO CCN(CC)C(=O)C1CC[NH+](CN2C(=O)N[C@](C)(c3cccc(Cl)c3)C2=O)CC1 ZINC000746712085 1077003784 /nfs/dbraw/zinc/00/37/84/1077003784.db2.gz MBIPWTGTLHKZHV-OAQYLSRUSA-N 1 2 420.941 2.645 20 0 HFADLO COCN1C(=O)CCc2cc(NC(=O)[C@H](C(C)C)[NH+]3C[C@H](C)O[C@@H](C)C3)ccc21 ZINC000787944017 1077004961 /nfs/dbraw/zinc/00/49/61/1077004961.db2.gz DDUVPNGTTYYJFB-QYWGDWMGSA-N 1 2 403.523 2.642 20 0 HFADLO C[C@H](Cc1ccco1)NC(=O)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000787942446 1077018933 /nfs/dbraw/zinc/01/89/33/1077018933.db2.gz SMHPPYJOUNXMKR-MRXNPFEDSA-N 1 2 414.893 2.906 20 0 HFADLO CC(C)(C)OC(=O)NC1(CO)CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000788002281 1077024940 /nfs/dbraw/zinc/02/49/40/1077024940.db2.gz AKHDEFJVFGULDL-FQEVSTJZSA-N 1 2 417.550 2.606 20 0 HFADLO CC1(c2nccc(NC(=O)NCc3cccc(OCC[NH+]4CCOCC4)c3)n2)CC1 ZINC000788029180 1077034884 /nfs/dbraw/zinc/03/48/84/1077034884.db2.gz OXLPYOBUTHCMCO-UHFFFAOYSA-N 1 2 411.506 2.561 20 0 HFADLO COC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C[NH+](C)C)s1 ZINC000788090122 1077056009 /nfs/dbraw/zinc/05/60/09/1077056009.db2.gz HTZSNFIUOKOEKQ-UHFFFAOYSA-N 1 2 411.549 2.817 20 0 HFADLO O=C(CNC(=O)Cc1cccc(F)c1)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788245243 1077086075 /nfs/dbraw/zinc/08/60/75/1077086075.db2.gz FBCJBQAJEODFDK-GOSISDBHSA-N 1 2 412.509 2.929 20 0 HFADLO O=C(CNC(=O)Cc1cccc(F)c1)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788245243 1077086081 /nfs/dbraw/zinc/08/60/81/1077086081.db2.gz FBCJBQAJEODFDK-GOSISDBHSA-N 1 2 412.509 2.929 20 0 HFADLO CC1=C(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[C@@H](C)n2ncnc2N1C ZINC000788271872 1077094697 /nfs/dbraw/zinc/09/46/97/1077094697.db2.gz YLRCUPUREWGWAY-TZMCWYRMSA-N 1 2 401.540 2.890 20 0 HFADLO CC1=C(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[C@@H](C)n2ncnc2N1C ZINC000788271872 1077094702 /nfs/dbraw/zinc/09/47/02/1077094702.db2.gz YLRCUPUREWGWAY-TZMCWYRMSA-N 1 2 401.540 2.890 20 0 HFADLO CCCN1CCC[N@H+](Cc2cc(=O)oc3cc(NC(=O)OCC)ccc23)CC1=O ZINC000788279341 1077096586 /nfs/dbraw/zinc/09/65/86/1077096586.db2.gz QMISQYHWTRJVGY-UHFFFAOYSA-N 1 2 401.463 2.806 20 0 HFADLO CCCN1CCC[N@@H+](Cc2cc(=O)oc3cc(NC(=O)OCC)ccc23)CC1=O ZINC000788279341 1077096591 /nfs/dbraw/zinc/09/65/91/1077096591.db2.gz QMISQYHWTRJVGY-UHFFFAOYSA-N 1 2 401.463 2.806 20 0 HFADLO O=C1c2ccc(OC(F)(F)F)cc2N(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000788380713 1077135651 /nfs/dbraw/zinc/13/56/51/1077135651.db2.gz MHKBHNZMHAGWNU-CQSZACIVSA-N 1 2 407.348 2.620 20 0 HFADLO O[C@H](Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1)c1ccc(Cl)c(F)c1 ZINC000788426032 1077142504 /nfs/dbraw/zinc/14/25/04/1077142504.db2.gz NFVJFVICBRRSHS-RTBURBONSA-N 1 2 417.872 2.773 20 0 HFADLO O[C@H](Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)c1ccc(Cl)c(F)c1 ZINC000788426032 1077142507 /nfs/dbraw/zinc/14/25/07/1077142507.db2.gz NFVJFVICBRRSHS-RTBURBONSA-N 1 2 417.872 2.773 20 0 HFADLO Cc1cc(NC(=O)C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)ccc1Br ZINC000788470454 1077170310 /nfs/dbraw/zinc/17/03/10/1077170310.db2.gz HBQHRAIYASADRJ-QGZVFWFLSA-N 1 2 407.312 2.865 20 0 HFADLO Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c(Cl)n1 ZINC000788635685 1077240539 /nfs/dbraw/zinc/24/05/39/1077240539.db2.gz VWOZMNBXCXXRLF-INIZCTEOSA-N 1 2 408.955 2.532 20 0 HFADLO Cc1cccn2cc(CCNC(=O)NCCN(C(=O)OC(C)(C)C)C3CC3)[nH+]c12 ZINC000746760242 1077272649 /nfs/dbraw/zinc/27/26/49/1077272649.db2.gz CVNLQNVSUXIYNX-UHFFFAOYSA-N 1 2 401.511 2.884 20 0 HFADLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000788697458 1077275225 /nfs/dbraw/zinc/27/52/25/1077275225.db2.gz OKANJJFWKQHOIM-MDWZMJQESA-N 1 2 417.369 2.792 20 0 HFADLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000788697458 1077275230 /nfs/dbraw/zinc/27/52/30/1077275230.db2.gz OKANJJFWKQHOIM-MDWZMJQESA-N 1 2 417.369 2.792 20 0 HFADLO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788840519 1077316564 /nfs/dbraw/zinc/31/65/64/1077316564.db2.gz HPBBFUODWUTPOL-SFHVURJKSA-N 1 2 420.554 2.855 20 0 HFADLO C[C@@H](NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc(OC(F)(F)F)c1 ZINC000788852113 1077320581 /nfs/dbraw/zinc/32/05/81/1077320581.db2.gz DOXAAIUYDCXNNT-CYBMUJFWSA-N 1 2 424.423 2.654 20 0 HFADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788858239 1077335546 /nfs/dbraw/zinc/33/55/46/1077335546.db2.gz BKOOJZXLWZXAQD-SJLPKXTDSA-N 1 2 400.523 2.544 20 0 HFADLO O=C(c1cccnc1F)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000791209346 1077345086 /nfs/dbraw/zinc/34/50/86/1077345086.db2.gz NNYMBVSHIJXVEK-UHFFFAOYSA-N 1 2 401.467 2.723 20 0 HFADLO Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1C ZINC000791243231 1077357000 /nfs/dbraw/zinc/35/70/00/1077357000.db2.gz ZGSXJTMXAYIXCM-UHFFFAOYSA-N 1 2 413.499 2.819 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000789051014 1077401775 /nfs/dbraw/zinc/40/17/75/1077401775.db2.gz AHOWMVZZSNWOQA-KGLIPLIRSA-N 1 2 407.902 2.813 20 0 HFADLO C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000789051017 1077401797 /nfs/dbraw/zinc/40/17/97/1077401797.db2.gz AHOWMVZZSNWOQA-UONOGXRCSA-N 1 2 407.902 2.813 20 0 HFADLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000791412705 1077402595 /nfs/dbraw/zinc/40/25/95/1077402595.db2.gz PPBZSMYTGDXWOW-SFHVURJKSA-N 1 2 401.463 2.860 20 0 HFADLO Nc1c(Cl)cc(F)cc1C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000791478419 1077420609 /nfs/dbraw/zinc/42/06/09/1077420609.db2.gz HGUSFCPNRZMHSG-UHFFFAOYSA-N 1 2 421.856 2.689 20 0 HFADLO Cc1ccc(C(=O)NC2CC[NH+](CCS(=O)(=O)Cc3ccccc3)CC2)s1 ZINC000791479642 1077420819 /nfs/dbraw/zinc/42/08/19/1077420819.db2.gz UJSFXAUVHIBNKM-UHFFFAOYSA-N 1 2 406.573 2.866 20 0 HFADLO Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000746789438 1077434490 /nfs/dbraw/zinc/43/44/90/1077434490.db2.gz MSJKENXBUIKLEL-NRFANRHFSA-N 1 2 407.514 2.924 20 0 HFADLO CC(C)(C)OC(=O)NC[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000791461494 1077435435 /nfs/dbraw/zinc/43/54/35/1077435435.db2.gz WDOFBKJRPIQIIZ-GOSISDBHSA-N 1 2 423.529 2.661 20 0 HFADLO COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000789206817 1077462076 /nfs/dbraw/zinc/46/20/76/1077462076.db2.gz PORBQBMYZFPIGU-FUHWJXTLSA-N 1 2 417.554 2.975 20 0 HFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCCOc3ncccc3F)CC2)cc1 ZINC000746796679 1077479759 /nfs/dbraw/zinc/47/97/59/1077479759.db2.gz SXNLHJRMJJCKBV-UHFFFAOYSA-N 1 2 401.486 2.634 20 0 HFADLO C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000789306475 1077508077 /nfs/dbraw/zinc/50/80/77/1077508077.db2.gz JSIIRYXJTLNPLS-OKZBNKHCSA-N 1 2 406.502 2.532 20 0 HFADLO C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000789306475 1077508081 /nfs/dbraw/zinc/50/80/81/1077508081.db2.gz JSIIRYXJTLNPLS-OKZBNKHCSA-N 1 2 406.502 2.532 20 0 HFADLO CC[C@H](C)n1ncc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1C ZINC000791663231 1077516964 /nfs/dbraw/zinc/51/69/64/1077516964.db2.gz KMQOCQFGFIIYFJ-HNNXBMFYSA-N 1 2 404.536 2.725 20 0 HFADLO Nc1cc(COC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc[nH+]1 ZINC000791703192 1077533179 /nfs/dbraw/zinc/53/31/79/1077533179.db2.gz QLWVRXCOEGBMTJ-CQSZACIVSA-N 1 2 405.401 2.861 20 0 HFADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789369690 1077541527 /nfs/dbraw/zinc/54/15/27/1077541527.db2.gz AOJDCGSYXOBRBK-OXQOHEQNSA-N 1 2 401.532 2.667 20 0 HFADLO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789369690 1077541529 /nfs/dbraw/zinc/54/15/29/1077541529.db2.gz AOJDCGSYXOBRBK-OXQOHEQNSA-N 1 2 401.532 2.667 20 0 HFADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(N(C)C(C)C)c(F)c3)[nH+]c12 ZINC000746810904 1077552869 /nfs/dbraw/zinc/55/28/69/1077552869.db2.gz DPEJGBYEXOWRIU-UHFFFAOYSA-N 1 2 411.481 2.924 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)C1=O ZINC000789425831 1077555063 /nfs/dbraw/zinc/55/50/63/1077555063.db2.gz QUIXKASFFSMZJL-VGOFRKELSA-N 1 2 406.571 2.565 20 0 HFADLO CC(C)CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)C1=O ZINC000789425831 1077555068 /nfs/dbraw/zinc/55/50/68/1077555068.db2.gz QUIXKASFFSMZJL-VGOFRKELSA-N 1 2 406.571 2.565 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1=O ZINC000789425895 1077555521 /nfs/dbraw/zinc/55/55/21/1077555521.db2.gz RIZJIPGOVWHVOX-SBUREZEXSA-N 1 2 420.598 2.955 20 0 HFADLO CC(C)CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1=O ZINC000789425895 1077555524 /nfs/dbraw/zinc/55/55/24/1077555524.db2.gz RIZJIPGOVWHVOX-SBUREZEXSA-N 1 2 420.598 2.955 20 0 HFADLO O=C1C(=O)N(C2CCCCC2)C(=O)N1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789442329 1077575264 /nfs/dbraw/zinc/57/52/64/1077575264.db2.gz LGCCTFJPSXHPTQ-UHFFFAOYSA-N 1 2 420.460 2.558 20 0 HFADLO O=C1C(=O)N(C2CCCCC2)C(=O)N1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789442329 1077575272 /nfs/dbraw/zinc/57/52/72/1077575272.db2.gz LGCCTFJPSXHPTQ-UHFFFAOYSA-N 1 2 420.460 2.558 20 0 HFADLO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000789518900 1077612573 /nfs/dbraw/zinc/61/25/73/1077612573.db2.gz HRGUJYRUNAPPHG-NSHDSACASA-N 1 2 414.275 2.834 20 0 HFADLO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000789518900 1077612575 /nfs/dbraw/zinc/61/25/75/1077612575.db2.gz HRGUJYRUNAPPHG-NSHDSACASA-N 1 2 414.275 2.834 20 0 HFADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789596116 1077701933 /nfs/dbraw/zinc/70/19/33/1077701933.db2.gz GCDOOVGDCCTHQS-NRFANRHFSA-N 1 2 412.534 2.684 20 0 HFADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789596116 1077701937 /nfs/dbraw/zinc/70/19/37/1077701937.db2.gz GCDOOVGDCCTHQS-NRFANRHFSA-N 1 2 412.534 2.684 20 0 HFADLO NNc1cc(Cl)nc(NC(=O)C(=O)Nc2ccccc2COc2ccccc2)[nH+]1 ZINC000789600028 1077703848 /nfs/dbraw/zinc/70/38/48/1077703848.db2.gz MCZNNYLPMFYWMF-UHFFFAOYSA-N 1 2 412.837 2.572 20 0 HFADLO CCCOc1ccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)cc1OCCC ZINC000789601753 1077705248 /nfs/dbraw/zinc/70/52/48/1077705248.db2.gz VFCIXPPPZKVPSZ-UHFFFAOYSA-N 1 2 422.873 2.570 20 0 HFADLO COc1ccc(S(C)(=O)=O)cc1COC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000789685949 1077726590 /nfs/dbraw/zinc/72/65/90/1077726590.db2.gz RTDIYZMOPLYBBV-UHFFFAOYSA-N 1 2 400.456 2.701 20 0 HFADLO Nc1cc(COC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)cc[nH+]1 ZINC000792187036 1077738660 /nfs/dbraw/zinc/73/86/60/1077738660.db2.gz SCZIPDVHSGZOPB-HNNXBMFYSA-N 1 2 404.264 2.661 20 0 HFADLO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000746853058 1077786698 /nfs/dbraw/zinc/78/66/98/1077786698.db2.gz SBXDLVFZJOLGTF-AZUAARDMSA-N 1 2 419.566 2.549 20 0 HFADLO CC(C)(C)[C@@H]1CCc2nc(NC(=O)C(=O)Nc3nc(Cl)cc(NN)[nH+]3)sc2C1 ZINC000789779907 1077789607 /nfs/dbraw/zinc/78/96/07/1077789607.db2.gz RLEZXKPOJRDOJK-MRVPVSSYSA-N 1 2 423.930 2.600 20 0 HFADLO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000792309506 1077800516 /nfs/dbraw/zinc/80/05/16/1077800516.db2.gz ZSVHZDGNBFTXLZ-UHFFFAOYSA-N 1 2 408.321 2.996 20 0 HFADLO NC(=O)c1ccsc1NC(=O)CC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000792309506 1077800525 /nfs/dbraw/zinc/80/05/25/1077800525.db2.gz ZSVHZDGNBFTXLZ-UHFFFAOYSA-N 1 2 408.321 2.996 20 0 HFADLO Cc1cn2cc(NC(=O)C(=O)N(C)[C@H](C)c3cccc(N4CCOC4=O)c3)ccc2[nH+]1 ZINC000789809752 1077821126 /nfs/dbraw/zinc/82/11/26/1077821126.db2.gz HRJKWUCFKNEZHV-OAHLLOKOSA-N 1 2 421.457 2.757 20 0 HFADLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000792379341 1077844900 /nfs/dbraw/zinc/84/49/00/1077844900.db2.gz IPYAJEAFOUCMJO-UHFFFAOYSA-N 1 2 412.465 2.828 20 0 HFADLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1 ZINC000792484790 1077878368 /nfs/dbraw/zinc/87/83/68/1077878368.db2.gz JBSCGSZCLPGTFZ-HXUWFJFHSA-N 1 2 414.506 2.895 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CCc3cc[nH+]c(N)c3C2)(C(F)(F)F)C1 ZINC001170269545 1077923583 /nfs/dbraw/zinc/92/35/83/1077923583.db2.gz YBMIGPZIWCUCDF-GOSISDBHSA-N 1 2 414.428 2.738 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000790132962 1077953162 /nfs/dbraw/zinc/95/31/62/1077953162.db2.gz SHOHYMRPLRGECL-FXAWDEMLSA-N 1 2 417.550 2.528 20 0 HFADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000790134361 1077953356 /nfs/dbraw/zinc/95/33/56/1077953356.db2.gz BPAMVZKWHDNSAQ-MJGOQNOKSA-N 1 2 405.539 2.822 20 0 HFADLO COc1ccc(C(=O)Nc2ccccc2C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000790137731 1077954073 /nfs/dbraw/zinc/95/40/73/1077954073.db2.gz WPYRCTSZNOTOBX-QGZVFWFLSA-N 1 2 411.502 2.740 20 0 HFADLO NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2C1 ZINC000790154607 1077960221 /nfs/dbraw/zinc/96/02/21/1077960221.db2.gz IYFRZZKPHZFZSU-UHFFFAOYSA-N 1 2 423.698 2.593 20 0 HFADLO NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cc(Br)cnc3Cl)cc2C1 ZINC000790154607 1077960222 /nfs/dbraw/zinc/96/02/22/1077960222.db2.gz IYFRZZKPHZFZSU-UHFFFAOYSA-N 1 2 423.698 2.593 20 0 HFADLO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000790155776 1077960745 /nfs/dbraw/zinc/96/07/45/1077960745.db2.gz TZQNWDWXCPFDCL-USXIJHARSA-N 1 2 405.495 2.822 20 0 HFADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000790162907 1077963219 /nfs/dbraw/zinc/96/32/19/1077963219.db2.gz YTUKWRPYHACXLA-SFHVURJKSA-N 1 2 424.586 2.530 20 0 HFADLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792765265 1077988444 /nfs/dbraw/zinc/98/84/44/1077988444.db2.gz KZTNIRLLCXZQQR-IOMROCGXSA-N 1 2 409.596 2.679 20 0 HFADLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1S(=O)(=O)C[C@@H]1CCCOC1 ZINC000792765265 1077988447 /nfs/dbraw/zinc/98/84/47/1077988447.db2.gz KZTNIRLLCXZQQR-IOMROCGXSA-N 1 2 409.596 2.679 20 0 HFADLO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000790320478 1077996534 /nfs/dbraw/zinc/99/65/34/1077996534.db2.gz RSRFOIYDFHEVHC-GJZGRUSLSA-N 1 2 400.516 2.835 20 0 HFADLO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000790320478 1077996537 /nfs/dbraw/zinc/99/65/37/1077996537.db2.gz RSRFOIYDFHEVHC-GJZGRUSLSA-N 1 2 400.516 2.835 20 0 HFADLO COc1ccc(-c2cc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)c3ccccc3n2)cc1 ZINC000746905001 1078013146 /nfs/dbraw/zinc/01/31/46/1078013146.db2.gz BWEUVRCFWAJMJJ-GOSISDBHSA-N 1 2 402.498 2.640 20 0 HFADLO CCCN1C(=O)CC[C@@H](C(=O)Oc2ccc(C(=O)OCC)cc2)[C@@H]1c1c[nH+]cn1C ZINC000792875887 1078015649 /nfs/dbraw/zinc/01/56/49/1078015649.db2.gz KDLNSMBBJMRIHY-YLJYHZDGSA-N 1 2 413.474 2.892 20 0 HFADLO C[C@@]12CC[N@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]1C2(Cl)Cl ZINC000792906379 1078020458 /nfs/dbraw/zinc/02/04/58/1078020458.db2.gz JSXLMFKWAGSQGS-XJKSGUPXSA-N 1 2 400.262 2.579 20 0 HFADLO C[C@@]12CC[N@@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]1C2(Cl)Cl ZINC000792906379 1078020463 /nfs/dbraw/zinc/02/04/63/1078020463.db2.gz JSXLMFKWAGSQGS-XJKSGUPXSA-N 1 2 400.262 2.579 20 0 HFADLO CNS(=O)(=O)c1cccc2c1CC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000792921330 1078026186 /nfs/dbraw/zinc/02/61/86/1078026186.db2.gz JWAYBBUJTVNGMH-KRWDZBQOSA-N 1 2 415.342 2.993 20 0 HFADLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000792921330 1078026191 /nfs/dbraw/zinc/02/61/91/1078026191.db2.gz JWAYBBUJTVNGMH-KRWDZBQOSA-N 1 2 415.342 2.993 20 0 HFADLO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790434639 1078029772 /nfs/dbraw/zinc/02/97/72/1078029772.db2.gz RXBCPABORBROKZ-AMKSKSKJSA-N 1 2 407.881 2.606 20 0 HFADLO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790434639 1078029780 /nfs/dbraw/zinc/02/97/80/1078029780.db2.gz RXBCPABORBROKZ-AMKSKSKJSA-N 1 2 407.881 2.606 20 0 HFADLO CCOC(=O)c1cnn(C[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)c1 ZINC000790455690 1078036863 /nfs/dbraw/zinc/03/68/63/1078036863.db2.gz KECRNIMRLLJSDY-UHFFFAOYSA-N 1 2 411.462 2.956 20 0 HFADLO COc1ccccc1-c1nc(C2CC[NH+](Cn3cc4[nH]cccc-4c3=O)CC2)no1 ZINC000790456453 1078037226 /nfs/dbraw/zinc/03/72/26/1078037226.db2.gz WLPWCBFOFDURJA-UHFFFAOYSA-N 1 2 405.458 2.933 20 0 HFADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000806246156 1079520970 /nfs/dbraw/zinc/52/09/70/1079520970.db2.gz SEDBUZPXBZPLKQ-DCXXXQMHSA-N 1 2 402.539 2.627 20 0 HFADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)Nc3cnc(C4CC4)nc3)C2)CC1 ZINC000806256210 1079523906 /nfs/dbraw/zinc/52/39/06/1079523906.db2.gz IFHUOBLLQMEDDJ-KRWDZBQOSA-N 1 2 416.526 2.513 20 0 HFADLO CNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000806261340 1079527283 /nfs/dbraw/zinc/52/72/83/1079527283.db2.gz JFNFHHFWLPWKJH-INIZCTEOSA-N 1 2 401.467 2.705 20 0 HFADLO O=C(CCc1[nH]cc[nH+]1)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000806272457 1079535506 /nfs/dbraw/zinc/53/55/06/1079535506.db2.gz FCGVPYXBBQYMRW-SDNWHVSQSA-N 1 2 404.879 2.848 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@@H]3CC3(Cl)Cl)CC2)C1 ZINC000806314302 1079566405 /nfs/dbraw/zinc/56/64/05/1079566405.db2.gz UAHJJTLLZVEQCV-KBPBESRZSA-N 1 2 421.369 2.517 20 0 HFADLO C[C@H](CCc1ccco1)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806317646 1079571695 /nfs/dbraw/zinc/57/16/95/1079571695.db2.gz LQUCHAWZLXKBKC-QZTJIDSGSA-N 1 2 420.554 2.937 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NCc3ccccc3F)CC2)C1 ZINC000806291768 1079578663 /nfs/dbraw/zinc/57/86/63/1079578663.db2.gz VYRUGBRODBLTRJ-KRWDZBQOSA-N 1 2 406.502 2.662 20 0 HFADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000806332240 1079602672 /nfs/dbraw/zinc/60/26/72/1079602672.db2.gz LLOFQFATLIONAF-AWNXRPDDSA-N 1 2 405.442 2.641 20 0 HFADLO Cc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1F ZINC000806350112 1079621920 /nfs/dbraw/zinc/62/19/20/1079621920.db2.gz ZVTZWDQXPHIRJK-SFHVURJKSA-N 1 2 420.529 2.971 20 0 HFADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000806419041 1079662616 /nfs/dbraw/zinc/66/26/16/1079662616.db2.gz KQXSMAZERKEVBF-JQWIXIFHSA-N 1 2 403.708 2.824 20 0 HFADLO COc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1F ZINC000806430159 1079675410 /nfs/dbraw/zinc/67/54/10/1079675410.db2.gz HOEUYNURDVIGOF-OAHLLOKOSA-N 1 2 422.501 2.993 20 0 HFADLO COc1cc(NC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1F ZINC000806444153 1079714173 /nfs/dbraw/zinc/71/41/73/1079714173.db2.gz MFXJZHYBDHVFSI-MRXNPFEDSA-N 1 2 422.501 2.993 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)NCCOC3CCCCC3)CC2)C1 ZINC000806499110 1079749542 /nfs/dbraw/zinc/74/95/42/1079749542.db2.gz BGEGJXROPPSUSA-GOSISDBHSA-N 1 2 424.586 2.672 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N[C@H]3CCC[N@H+](Cc4ccc(F)cc4Cl)C3)ccnc1-2 ZINC000806487657 1079774064 /nfs/dbraw/zinc/77/40/64/1079774064.db2.gz CEVCCNVNECZANA-HNNXBMFYSA-N 1 2 416.888 2.920 20 0 HFADLO Cn1[nH]cc2c(=NC(=O)N[C@H]3CCC[N@@H+](Cc4ccc(F)cc4Cl)C3)ccnc1-2 ZINC000806487657 1079774069 /nfs/dbraw/zinc/77/40/69/1079774069.db2.gz CEVCCNVNECZANA-HNNXBMFYSA-N 1 2 416.888 2.920 20 0 HFADLO C[C@@H]1CN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001130668037 1079818579 /nfs/dbraw/zinc/81/85/79/1079818579.db2.gz AYZPXFRTURIARI-AJYBTWMASA-N 1 2 404.576 2.711 20 0 HFADLO C[C@@H]1CN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001130668037 1079818590 /nfs/dbraw/zinc/81/85/90/1079818590.db2.gz AYZPXFRTURIARI-AJYBTWMASA-N 1 2 404.576 2.711 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=S)NCc3cccs3)CC2)C1 ZINC000806609562 1079851568 /nfs/dbraw/zinc/85/15/68/1079851568.db2.gz RBYDKKRDKSYFLF-HNNXBMFYSA-N 1 2 410.609 2.750 20 0 HFADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000806627261 1079884610 /nfs/dbraw/zinc/88/46/10/1079884610.db2.gz OXDDWECKPGPZEU-INIZCTEOSA-N 1 2 417.955 2.940 20 0 HFADLO CC(C)(C)OC(=O)CS(=O)(=O)CC[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000806627261 1079884624 /nfs/dbraw/zinc/88/46/24/1079884624.db2.gz OXDDWECKPGPZEU-INIZCTEOSA-N 1 2 417.955 2.940 20 0 HFADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000806753664 1079968848 /nfs/dbraw/zinc/96/88/48/1079968848.db2.gz XHNLFPSNUVFETG-OFNKIYASSA-N 1 2 410.562 2.568 20 0 HFADLO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)c1ccccc1Cl ZINC000806830073 1080044215 /nfs/dbraw/zinc/04/42/15/1080044215.db2.gz BDVMXEPXXHSWIY-GOSISDBHSA-N 1 2 403.910 2.925 20 0 HFADLO CCCC[C@H](COC)NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806833992 1080048055 /nfs/dbraw/zinc/04/80/55/1080048055.db2.gz RNOVNGBWQKTWOK-QZTJIDSGSA-N 1 2 412.575 2.528 20 0 HFADLO CC[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)c1ccncc1 ZINC000806855103 1080060038 /nfs/dbraw/zinc/06/00/38/1080060038.db2.gz YZWYRYZWZWHNLD-RTBURBONSA-N 1 2 417.554 2.869 20 0 HFADLO CC(=O)NCC[C@H]1CCCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000806867801 1080067935 /nfs/dbraw/zinc/06/79/35/1080067935.db2.gz PORLAMYCGOOSRJ-LJQANCHMSA-N 1 2 415.582 2.669 20 0 HFADLO CN(C)C(=O)OC[C@H]1CCCCN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000806880909 1080079706 /nfs/dbraw/zinc/07/97/06/1080079706.db2.gz BMMOTNZPGHGBPX-RTBURBONSA-N 1 2 413.522 2.966 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000806886394 1080083514 /nfs/dbraw/zinc/08/35/14/1080083514.db2.gz NXIRBUWDHRBLFG-UHFFFAOYSA-N 1 2 409.571 2.900 20 0 HFADLO CSCCCCCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000806886394 1080083522 /nfs/dbraw/zinc/08/35/22/1080083522.db2.gz NXIRBUWDHRBLFG-UHFFFAOYSA-N 1 2 409.571 2.900 20 0 HFADLO CC[C@H](NC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCOCC1 ZINC000806895693 1080101373 /nfs/dbraw/zinc/10/13/73/1080101373.db2.gz INVLFNMZSPNLQN-OALUTQOASA-N 1 2 424.586 2.528 20 0 HFADLO CC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCOCC1 ZINC000806895692 1080101437 /nfs/dbraw/zinc/10/14/37/1080101437.db2.gz INVLFNMZSPNLQN-MOPGFXCFSA-N 1 2 424.586 2.528 20 0 HFADLO CCC1(CNC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCOCC1 ZINC000806893977 1080101461 /nfs/dbraw/zinc/10/14/61/1080101461.db2.gz HSXYMZSOAFFKDT-GOSISDBHSA-N 1 2 424.586 2.530 20 0 HFADLO COc1ccc2cc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)ccc2c1 ZINC000806942168 1080151704 /nfs/dbraw/zinc/15/17/04/1080151704.db2.gz OIKHDFPGRKWEJX-RTWAWAEBSA-N 1 2 411.502 2.547 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)N[C@H]3CCCC(F)(F)C3)CC2)C1 ZINC000806992467 1080170924 /nfs/dbraw/zinc/17/09/24/1080170924.db2.gz GRXSARKNWQNUGC-JKSUJKDBSA-N 1 2 416.513 2.901 20 0 HFADLO CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000807020430 1080215764 /nfs/dbraw/zinc/21/57/64/1080215764.db2.gz WTVWLOLZEICYSA-MSOLQXFVSA-N 1 2 403.527 2.751 20 0 HFADLO COc1ccc([C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c2ccccc2)cc1 ZINC001130827002 1080238215 /nfs/dbraw/zinc/23/82/15/1080238215.db2.gz PPHCHBSGDVWOSJ-XPWALMASSA-N 1 2 410.514 2.781 20 0 HFADLO Cc1ccncc1[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000807066417 1080248374 /nfs/dbraw/zinc/24/83/74/1080248374.db2.gz WUXHIHDKANTQST-QZTJIDSGSA-N 1 2 417.554 2.788 20 0 HFADLO CC(C)(O)c1cccc(NC(=O)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000807075920 1080257021 /nfs/dbraw/zinc/25/70/21/1080257021.db2.gz MADBUGOOIQHIIO-INIZCTEOSA-N 1 2 410.518 2.792 20 0 HFADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)NC[C@@H]3CCCCS3)CC2)C1 ZINC000807096388 1080275330 /nfs/dbraw/zinc/27/53/30/1080275330.db2.gz GJNRCTXKLGOIQU-IRXDYDNUSA-N 1 2 412.600 2.609 20 0 HFADLO C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CCO1 ZINC000807103548 1080282871 /nfs/dbraw/zinc/28/28/71/1080282871.db2.gz NMBIVOWJBLSMRZ-QYZOEREBSA-N 1 2 424.586 2.528 20 0 HFADLO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)c1nccs1 ZINC000805278959 1080402001 /nfs/dbraw/zinc/40/20/01/1080402001.db2.gz LKJNUURMFPNHPU-JKSUJKDBSA-N 1 2 423.583 2.583 20 0 HFADLO O=C([C@@H](c1cccc(Br)c1)[NH+]1CCCC1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC001130894633 1080425861 /nfs/dbraw/zinc/42/58/61/1080425861.db2.gz RNBGATAXKDROFG-SZVBFZGTSA-N 1 2 420.351 2.713 20 0 HFADLO CCCc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(=O)OC)c12 ZINC000807282128 1080440116 /nfs/dbraw/zinc/44/01/16/1080440116.db2.gz DWDZLJOOCNKBHD-INIZCTEOSA-N 1 2 423.429 2.603 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1coc2c1cc(Br)cc2C ZINC000807283467 1080443766 /nfs/dbraw/zinc/44/37/66/1080443766.db2.gz IDTZKUICBAHDEJ-AWEZNQCLSA-N 1 2 406.236 2.672 20 0 HFADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cccc(OCc2cccc(C)c2)c1 ZINC000807284734 1080445095 /nfs/dbraw/zinc/44/50/95/1080445095.db2.gz SYQOWJBJTKPJQC-OAQYLSRUSA-N 1 2 407.470 2.671 20 0 HFADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C ZINC000807284406 1080445565 /nfs/dbraw/zinc/44/55/65/1080445565.db2.gz QAHNCCZGRPCLMS-IBGZPJMESA-N 1 2 417.469 2.810 20 0 HFADLO CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000747388194 1080464056 /nfs/dbraw/zinc/46/40/56/1080464056.db2.gz FFBIYEYIMVOPDN-DLBZAZTESA-N 1 2 415.431 2.802 20 0 HFADLO CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000747388194 1080464065 /nfs/dbraw/zinc/46/40/65/1080464065.db2.gz FFBIYEYIMVOPDN-DLBZAZTESA-N 1 2 415.431 2.802 20 0 HFADLO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CC(=O)N1CCO[C@@H](C)C1)CC2 ZINC000807259028 1080465315 /nfs/dbraw/zinc/46/53/15/1080465315.db2.gz FVTZYOWZNLNUEO-NYHFZMIOSA-N 1 2 416.543 2.960 20 0 HFADLO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CC(=O)N1CCO[C@@H](C)C1)CC2 ZINC000807259028 1080465319 /nfs/dbraw/zinc/46/53/19/1080465319.db2.gz FVTZYOWZNLNUEO-NYHFZMIOSA-N 1 2 416.543 2.960 20 0 HFADLO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1cnc(C2OCCO2)s1 ZINC000807410978 1080606038 /nfs/dbraw/zinc/60/60/38/1080606038.db2.gz BEZIDUGXHLNFLV-OAHLLOKOSA-N 1 2 405.545 2.536 20 0 HFADLO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1cnc(C2OCCO2)s1 ZINC000807410978 1080606047 /nfs/dbraw/zinc/60/60/47/1080606047.db2.gz BEZIDUGXHLNFLV-OAHLLOKOSA-N 1 2 405.545 2.536 20 0 HFADLO COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000747401164 1080776854 /nfs/dbraw/zinc/77/68/54/1080776854.db2.gz SBMHXFJVWNOVBF-MAUKXSAKSA-N 1 2 402.495 2.910 20 0 HFADLO COc1cc(NC(=O)c2ccco2)c(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000747400798 1080779052 /nfs/dbraw/zinc/77/90/52/1080779052.db2.gz OWHFGQLJWIYOPE-AWEZNQCLSA-N 1 2 412.446 2.812 20 0 HFADLO