smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH+](CC(C)(C)C)CCO3)C1 ZINC000012149167 845856095 /nfs/dbraw/zinc/85/60/95/845856095.db2.gz DTHDHEICRBWURC-OAQYLSRUSA-N 2 1 415.622 4.008 50 0 HIAAMP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc3c(c2)C[N@@H+](CC(C)(C)C)CCO3)C1 ZINC000012149167 845856100 /nfs/dbraw/zinc/85/61/00/845856100.db2.gz DTHDHEICRBWURC-OAQYLSRUSA-N 2 1 415.622 4.008 50 0 HIAAMP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc3c(c2)C[N@H+](CC(C)(C)C)CCO3)C1 ZINC000012149167 845856102 /nfs/dbraw/zinc/85/61/02/845856102.db2.gz DTHDHEICRBWURC-OAQYLSRUSA-N 2 1 415.622 4.008 50 0 HIAAMP Cc1cccc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000012449444 845871445 /nfs/dbraw/zinc/87/14/45/845871445.db2.gz AIZTVZTTXBRUDY-UHFFFAOYSA-N 2 1 406.618 4.198 50 0 HIAAMP Cc1ccc(F)cc1C[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000014954970 845994890 /nfs/dbraw/zinc/99/48/90/845994890.db2.gz HLLFVAQJJRZLRK-VWLOTQADSA-N 2 1 422.544 4.296 50 0 HIAAMP COc1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1F ZINC000014974002 845995876 /nfs/dbraw/zinc/99/58/76/845995876.db2.gz CBMSABBBJIWILF-QFIPXVFZSA-N 2 1 404.570 4.470 50 0 HIAAMP Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000020118409 846381091 /nfs/dbraw/zinc/38/10/91/846381091.db2.gz BXGIZXMCWIZONF-VWLOTQADSA-N 2 1 424.564 4.416 50 0 HIAAMP CC(C)Oc1ccc(C[NH+]2CCC3(C[N@@H+](C)C[C@@H]3c3nnc(C(C)C)o3)CC2)cc1 ZINC000257174385 854233138 /nfs/dbraw/zinc/23/31/38/854233138.db2.gz GGJADLQDKGEJAP-OAQYLSRUSA-N 2 1 412.578 4.292 50 0 HIAAMP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cccn3-c3nccs3)C2)cc1 ZINC000020540518 523949059 /nfs/dbraw/zinc/94/90/59/523949059.db2.gz OYSYPWFNKAZTSN-NRFANRHFSA-N 2 1 424.614 4.329 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cccn3-c3nccs3)C2)cc1 ZINC000020540518 523949063 /nfs/dbraw/zinc/94/90/63/523949063.db2.gz OYSYPWFNKAZTSN-NRFANRHFSA-N 2 1 424.614 4.329 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cccn3-c3nccs3)C2)cc1 ZINC000020540518 523949068 /nfs/dbraw/zinc/94/90/68/523949068.db2.gz OYSYPWFNKAZTSN-NRFANRHFSA-N 2 1 424.614 4.329 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cccn3-c3nccs3)C2)cc1 ZINC000020540518 523949073 /nfs/dbraw/zinc/94/90/73/523949073.db2.gz OYSYPWFNKAZTSN-NRFANRHFSA-N 2 1 424.614 4.329 50 0 HIAAMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072448242 527232837 /nfs/dbraw/zinc/23/28/37/527232837.db2.gz BZAQCYFGZVLSFU-OAHLLOKOSA-N 2 1 409.917 4.455 50 0 HIAAMP C[N@@H+](C[C@H](O)COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1)C1CCCCC1 ZINC000011814829 558279038 /nfs/dbraw/zinc/27/90/38/558279038.db2.gz JQDOZRMJVOELKK-DEOSSOPVSA-N 2 1 414.565 4.162 50 0 HIAAMP C[N@@H+](Cc1cccn1-c1ncccn1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011842534 558287625 /nfs/dbraw/zinc/28/76/25/558287625.db2.gz DQEAZIKXOQCWBC-NRFANRHFSA-N 2 1 423.992 4.307 50 0 HIAAMP C[N@H+](Cc1cccn1-c1ncccn1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011842534 558287629 /nfs/dbraw/zinc/28/76/29/558287629.db2.gz DQEAZIKXOQCWBC-NRFANRHFSA-N 2 1 423.992 4.307 50 0 HIAAMP C[NH+](Cc1cccn1-c1ncccn1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011842534 558287633 /nfs/dbraw/zinc/28/76/33/558287633.db2.gz DQEAZIKXOQCWBC-NRFANRHFSA-N 2 1 423.992 4.307 50 0 HIAAMP C[NH+](Cc1cccn1-c1ncccn1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011842534 558287636 /nfs/dbraw/zinc/28/76/36/558287636.db2.gz DQEAZIKXOQCWBC-NRFANRHFSA-N 2 1 423.992 4.307 50 0 HIAAMP OC[C@]1(Cc2ccc(F)cc2)CCC[N@@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000012594429 558437214 /nfs/dbraw/zinc/43/72/14/558437214.db2.gz SVFKDWLFORJZLO-QHCPKHFHSA-N 2 1 402.579 4.300 50 0 HIAAMP Fc1cccc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1 ZINC000014887038 558677599 /nfs/dbraw/zinc/67/75/99/558677599.db2.gz KBUPEMBXGWSAFS-IBGZPJMESA-N 2 1 400.567 4.183 50 0 HIAAMP CCOc1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088934 558871859 /nfs/dbraw/zinc/87/18/59/558871859.db2.gz VSRGWTIECIMDKK-JOCHJYFZSA-N 2 1 412.574 4.186 50 0 HIAAMP CCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088934 558871860 /nfs/dbraw/zinc/87/18/60/558871860.db2.gz VSRGWTIECIMDKK-JOCHJYFZSA-N 2 1 412.574 4.186 50 0 HIAAMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088934 558871863 /nfs/dbraw/zinc/87/18/63/558871863.db2.gz VSRGWTIECIMDKK-JOCHJYFZSA-N 2 1 412.574 4.186 50 0 HIAAMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088934 558871867 /nfs/dbraw/zinc/87/18/67/558871867.db2.gz VSRGWTIECIMDKK-JOCHJYFZSA-N 2 1 412.574 4.186 50 0 HIAAMP C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCC([NH+]5CCCCC5)CC4)[C@H]3C=C12 ZINC000004084602 568939969 /nfs/dbraw/zinc/93/99/69/568939969.db2.gz JHZIHHYUBZAJMF-FSIRCMOZSA-N 2 1 400.607 4.251 50 0 biogenic HIAAMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000170639711 569281384 /nfs/dbraw/zinc/28/13/84/569281384.db2.gz WZOZSPVNJGEACT-JOCHJYFZSA-N 2 1 401.595 4.087 50 0 HIAAMP c1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc2nsnc12 ZINC000011956493 845842805 /nfs/dbraw/zinc/84/28/05/845842805.db2.gz LXFQAGCGSJDVPF-NRFANRHFSA-N 2 1 414.619 4.327 50 0 HIAAMP Fc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(F)c1 ZINC000011982715 845845508 /nfs/dbraw/zinc/84/55/08/845845508.db2.gz PIWSIDGLSKJGQY-SFHVURJKSA-N 2 1 418.557 4.322 50 0 HIAAMP Fc1ccc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(F)c1 ZINC000011982715 845845518 /nfs/dbraw/zinc/84/55/18/845845518.db2.gz PIWSIDGLSKJGQY-SFHVURJKSA-N 2 1 418.557 4.322 50 0 HIAAMP O=C(CCC1CC[NH+](Cc2ccsc2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012315772 845866811 /nfs/dbraw/zinc/86/68/11/845866811.db2.gz MCBCCLBUWGFXCE-QHCPKHFHSA-N 2 1 411.615 4.131 50 0 HIAAMP COc1ccccc1-n1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cn1 ZINC000015074981 846006819 /nfs/dbraw/zinc/00/68/19/846006819.db2.gz BUKSXJMXKIMALG-UHFFFAOYSA-N 2 1 408.546 4.126 50 0 HIAAMP C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000252672158 854204724 /nfs/dbraw/zinc/20/47/24/854204724.db2.gz PJRMFQGLSRNIKD-RDGATRHJSA-N 2 1 405.586 4.024 50 0 HIAAMP C[NH+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252672158 854204735 /nfs/dbraw/zinc/20/47/35/854204735.db2.gz PJRMFQGLSRNIKD-RDGATRHJSA-N 2 1 405.586 4.024 50 0 HIAAMP C[NH+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000252672158 854204744 /nfs/dbraw/zinc/20/47/44/854204744.db2.gz PJRMFQGLSRNIKD-RDGATRHJSA-N 2 1 405.586 4.024 50 0 HIAAMP C[NH+]1CCC(N2CC[N@@H+](Cc3cccc4c5ccccc5sc43)C[C@@H]2CCO)CC1 ZINC000020540704 523772122 /nfs/dbraw/zinc/77/21/22/523772122.db2.gz NNUZFYUESKQPDN-NRFANRHFSA-N 2 1 423.626 4.017 50 0 HIAAMP Cc1ccc(NC(=O)COc2ccc3ccccc3c2C[NH2+]CCC[NH+](C)C)cc1 ZINC000040720181 525070751 /nfs/dbraw/zinc/07/07/51/525070751.db2.gz YQNTXUFOUQMJFV-UHFFFAOYSA-N 2 1 405.542 4.207 50 0 HIAAMP O=C(CCC1CC[NH+](Cc2ccccc2F)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000011878911 558293412 /nfs/dbraw/zinc/29/34/12/558293412.db2.gz MNAWKCDGDLOPET-XMMPIXPASA-N 2 1 423.576 4.209 50 0 HIAAMP Cc1ccc(C[NH+](C)Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)o1 ZINC000011997737 558307224 /nfs/dbraw/zinc/30/72/24/558307224.db2.gz MRVWJWWZOXIDKV-HSZRJFAPSA-N 2 1 408.542 4.092 50 0 HIAAMP Cc1ccc(C[N@@H+](C)Cc2ccc(OC[C@H](O)C[NH+](C)Cc3ccccc3)cc2)o1 ZINC000011997737 558307227 /nfs/dbraw/zinc/30/72/27/558307227.db2.gz MRVWJWWZOXIDKV-HSZRJFAPSA-N 2 1 408.542 4.092 50 0 HIAAMP Cc1ccc(C[N@H+](C)Cc2ccc(OC[C@H](O)C[NH+](C)Cc3ccccc3)cc2)o1 ZINC000011997737 558307231 /nfs/dbraw/zinc/30/72/31/558307231.db2.gz MRVWJWWZOXIDKV-HSZRJFAPSA-N 2 1 408.542 4.092 50 0 HIAAMP OC[C@]1(Cc2ccc(F)cc2)CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012049383 558313581 /nfs/dbraw/zinc/31/35/81/558313581.db2.gz CESVNUOWKPJCMA-SANMLTNESA-N 2 1 410.577 4.150 50 0 HIAAMP OC[C@]1(Cc2ccc(F)cc2)CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012049383 558313583 /nfs/dbraw/zinc/31/35/83/558313583.db2.gz CESVNUOWKPJCMA-SANMLTNESA-N 2 1 410.577 4.150 50 0 HIAAMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873862 558418289 /nfs/dbraw/zinc/41/82/89/558418289.db2.gz COSBGQFVJCNMEB-UHFFFAOYSA-N 2 1 421.379 4.386 50 0 HIAAMP COc1ccc(C[N@@H+](C)CCCC2CCCC2)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012574896 558430699 /nfs/dbraw/zinc/43/06/99/558430699.db2.gz UGQJHZRQYZJXFJ-JOCHJYFZSA-N 2 1 406.611 4.177 50 0 HIAAMP COc1ccc(C[NH+](C)CCCC2CCCC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012574896 558430701 /nfs/dbraw/zinc/43/07/01/558430701.db2.gz UGQJHZRQYZJXFJ-JOCHJYFZSA-N 2 1 406.611 4.177 50 0 HIAAMP COc1ccc(C[NH+](C)CCCC2CCCC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012574896 558430705 /nfs/dbraw/zinc/43/07/05/558430705.db2.gz UGQJHZRQYZJXFJ-JOCHJYFZSA-N 2 1 406.611 4.177 50 0 HIAAMP COc1ccc(-c2noc(C[N@@H+](C)CC3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000012597422 558438372 /nfs/dbraw/zinc/43/83/72/558438372.db2.gz BWNOVXXUHGDEFN-UHFFFAOYSA-N 2 1 406.530 4.089 50 0 HIAAMP COc1cc(C[N@@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)c(Cl)cc1O ZINC000012705750 558449901 /nfs/dbraw/zinc/44/99/01/558449901.db2.gz MABNDKKJINQMPL-UHFFFAOYSA-N 2 1 402.966 4.441 50 0 HIAAMP CCCn1ncc(C[N@H+](CC)C[C@@H]2CCC[NH+](CCc3cccc(OC)c3)C2)c1C ZINC000012706935 558450285 /nfs/dbraw/zinc/45/02/85/558450285.db2.gz RKUVYMPYKSXAIG-QHCPKHFHSA-N 2 1 412.622 4.387 50 0 HIAAMP CCCn1ncc(C[N@@H+](CC)C[C@@H]2CCC[NH+](CCc3cccc(OC)c3)C2)c1C ZINC000012706935 558450293 /nfs/dbraw/zinc/45/02/93/558450293.db2.gz RKUVYMPYKSXAIG-QHCPKHFHSA-N 2 1 412.622 4.387 50 0 HIAAMP CCCn1ncc(C[NH+](CC)C[C@@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)c1C ZINC000012706935 558450295 /nfs/dbraw/zinc/45/02/95/558450295.db2.gz RKUVYMPYKSXAIG-QHCPKHFHSA-N 2 1 412.622 4.387 50 0 HIAAMP CCCn1ncc(C[NH+](CC)C[C@@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c1C ZINC000012706935 558450297 /nfs/dbraw/zinc/45/02/97/558450297.db2.gz RKUVYMPYKSXAIG-QHCPKHFHSA-N 2 1 412.622 4.387 50 0 HIAAMP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000055100156 558872634 /nfs/dbraw/zinc/87/26/34/558872634.db2.gz WYBXFRSISJFJKN-OAQYLSRUSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000055100156 558872636 /nfs/dbraw/zinc/87/26/36/558872636.db2.gz WYBXFRSISJFJKN-OAQYLSRUSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000055100156 558872639 /nfs/dbraw/zinc/87/26/39/558872639.db2.gz WYBXFRSISJFJKN-OAQYLSRUSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000055100156 558872642 /nfs/dbraw/zinc/87/26/42/558872642.db2.gz WYBXFRSISJFJKN-OAQYLSRUSA-N 2 1 400.538 4.229 50 0 HIAAMP CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055182668 558875004 /nfs/dbraw/zinc/87/50/04/558875004.db2.gz WGTOKSTYOXVGFL-DEOSSOPVSA-N 2 1 423.601 4.430 50 0 HIAAMP CC[NH+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055182668 558875006 /nfs/dbraw/zinc/87/50/06/558875006.db2.gz WGTOKSTYOXVGFL-DEOSSOPVSA-N 2 1 423.601 4.430 50 0 HIAAMP CC[NH+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055182668 558875008 /nfs/dbraw/zinc/87/50/08/558875008.db2.gz WGTOKSTYOXVGFL-DEOSSOPVSA-N 2 1 423.601 4.430 50 0 HIAAMP Cc1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)on1 ZINC000095502634 559082646 /nfs/dbraw/zinc/08/26/46/559082646.db2.gz HBHAXFXWADODLQ-NRFANRHFSA-N 2 1 401.526 4.015 50 0 HIAAMP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000047778198 568431325 /nfs/dbraw/zinc/43/13/25/568431325.db2.gz XLBCONRHQVJWON-KDURUIRLSA-N 2 1 412.574 4.480 50 0 HIAAMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc2)C1 ZINC000230114684 568847633 /nfs/dbraw/zinc/84/76/33/568847633.db2.gz NRUMFMLCAIUGMB-NZQKXSOJSA-N 2 1 424.589 4.148 50 0 HIAAMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2)C1 ZINC000089929810 569268956 /nfs/dbraw/zinc/26/89/56/569268956.db2.gz JOTUMZQZYDQGNL-RXVVDRJESA-N 2 1 414.619 4.082 50 0 HIAAMP Cc1c(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)[nH]c2c1cccc2C ZINC000011813381 845836042 /nfs/dbraw/zinc/83/60/42/845836042.db2.gz ZKLGSBKHDVEKDH-OAQYLSRUSA-N 2 1 424.633 4.330 50 0 HIAAMP CCN1CCC([N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000012747614 845888695 /nfs/dbraw/zinc/88/86/95/845888695.db2.gz BCCRVAFQAMCAQG-AREMUKBSSA-N 2 1 413.650 4.172 50 0 HIAAMP CC[NH+]1CCC([N@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000012747614 845888697 /nfs/dbraw/zinc/88/86/97/845888697.db2.gz BCCRVAFQAMCAQG-AREMUKBSSA-N 3 1 413.650 4.172 50 0 HIAAMP CC[NH+]1CCC([N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000012747614 845888703 /nfs/dbraw/zinc/88/87/03/845888703.db2.gz BCCRVAFQAMCAQG-AREMUKBSSA-N 3 1 413.650 4.172 50 0 HIAAMP CN1CCC([NH+]2CCC(C[N@@H+](Cc3ccncc3)Cc3ccccc3F)CC2)CC1 ZINC000019222219 846359168 /nfs/dbraw/zinc/35/91/68/846359168.db2.gz DDLZVMGIRGTZHC-UHFFFAOYSA-N 2 1 410.581 4.029 50 0 HIAAMP COCC[N@@H+](Cc1cccc(OC)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055099417 849969291 /nfs/dbraw/zinc/96/92/91/849969291.db2.gz TVMLANAORKDGJP-JOCHJYFZSA-N 2 1 408.586 4.023 50 0 HIAAMP COCC[N@H+](Cc1cccc(OC)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055099417 849969301 /nfs/dbraw/zinc/96/93/01/849969301.db2.gz TVMLANAORKDGJP-JOCHJYFZSA-N 2 1 408.586 4.023 50 0 HIAAMP COCC[NH+](Cc1cccc(OC)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055099417 849969307 /nfs/dbraw/zinc/96/93/07/849969307.db2.gz TVMLANAORKDGJP-JOCHJYFZSA-N 2 1 408.586 4.023 50 0 HIAAMP COCC[NH+](Cc1cccc(OC)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055099417 849969313 /nfs/dbraw/zinc/96/93/13/849969313.db2.gz TVMLANAORKDGJP-JOCHJYFZSA-N 2 1 408.586 4.023 50 0 HIAAMP C[NH2+]CCC[NH2+]Cc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000040719966 521998674 /nfs/dbraw/zinc/99/86/74/521998674.db2.gz KHBWOJHNPABNPJ-UHFFFAOYSA-N 2 1 407.352 4.044 50 0 HIAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)Cc2cccc(-n3cccn3)c2)CC1 ZINC000011934151 558298673 /nfs/dbraw/zinc/29/86/73/558298673.db2.gz LKHGUNAJAANNFP-UHFFFAOYSA-N 2 1 418.585 4.267 50 0 HIAAMP C[N@@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCc1cccc(F)c1)C1CCCCC1 ZINC000012052394 558314622 /nfs/dbraw/zinc/31/46/22/558314622.db2.gz DOBKVKURJCPNQV-XMMPIXPASA-N 2 1 414.565 4.162 50 0 HIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012112286 558326577 /nfs/dbraw/zinc/32/65/77/558326577.db2.gz RRYVGVCQXXSDGG-IZJILKLZSA-N 2 1 401.639 4.048 50 0 HIAAMP C[N@H+](Cc1cccn1-c1nccs1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012373718 558391028 /nfs/dbraw/zinc/39/10/28/558391028.db2.gz FSRDUIZSVZTHIB-UHFFFAOYSA-N 2 1 412.578 4.459 50 0 HIAAMP CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1ccc(C[NH+](C)C)o1 ZINC000012431595 558406178 /nfs/dbraw/zinc/40/61/78/558406178.db2.gz VJSJHLJCHGXHIE-UHFFFAOYSA-N 2 1 411.590 4.066 50 0 HIAAMP C[N@@H+](Cc1ccco1)Cc1cc2cc3c(cc2n(CC[NH+]2CCCCC2)c1=O)CCC3 ZINC000012457124 558417516 /nfs/dbraw/zinc/41/75/16/558417516.db2.gz KKRDAENCJLAMCC-UHFFFAOYSA-N 2 1 419.569 4.201 50 0 HIAAMP CCOc1cccc(C[N@H+](CCOC)C[C@H]2CCC[NH+](C3Cc4ccccc4C3)C2)c1 ZINC000012711603 558452652 /nfs/dbraw/zinc/45/26/52/558452652.db2.gz WEVGBHZELZUWHP-HSZRJFAPSA-N 2 1 422.613 4.413 50 0 HIAAMP CCOc1cccc(C[N@@H+](CCOC)C[C@H]2CCC[NH+](C3Cc4ccccc4C3)C2)c1 ZINC000012711603 558452654 /nfs/dbraw/zinc/45/26/54/558452654.db2.gz WEVGBHZELZUWHP-HSZRJFAPSA-N 2 1 422.613 4.413 50 0 HIAAMP CCOc1cccc(C[NH+](CCOC)C[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012711603 558452656 /nfs/dbraw/zinc/45/26/56/558452656.db2.gz WEVGBHZELZUWHP-HSZRJFAPSA-N 2 1 422.613 4.413 50 0 HIAAMP CCOc1cccc(C[NH+](CCOC)C[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012711603 558452658 /nfs/dbraw/zinc/45/26/58/558452658.db2.gz WEVGBHZELZUWHP-HSZRJFAPSA-N 2 1 422.613 4.413 50 0 HIAAMP O=C(CCC(F)(F)F)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014951127 558681032 /nfs/dbraw/zinc/68/10/32/558681032.db2.gz KCLVBRUYZNKTBT-IBGZPJMESA-N 2 1 417.560 4.298 50 0 HIAAMP COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000014954868 558682038 /nfs/dbraw/zinc/68/20/38/558682038.db2.gz CMXPLLKRJSRDNL-IBGZPJMESA-N 2 1 422.548 4.461 50 0 HIAAMP COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000014954868 558682040 /nfs/dbraw/zinc/68/20/40/558682040.db2.gz CMXPLLKRJSRDNL-IBGZPJMESA-N 2 1 422.548 4.461 50 0 HIAAMP COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000014954868 558682043 /nfs/dbraw/zinc/68/20/43/558682043.db2.gz CMXPLLKRJSRDNL-IBGZPJMESA-N 2 1 422.548 4.461 50 0 HIAAMP COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000014954868 558682046 /nfs/dbraw/zinc/68/20/46/558682046.db2.gz CMXPLLKRJSRDNL-IBGZPJMESA-N 2 1 422.548 4.461 50 0 HIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(SC)c2)CC1 ZINC000015061747 558704805 /nfs/dbraw/zinc/70/48/05/558704805.db2.gz QVTIXPVCBGHYAY-OAQYLSRUSA-N 2 1 403.636 4.001 50 0 HIAAMP Cc1cccc(N2CCC([NH2+][C@@H](C)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000095972257 568671859 /nfs/dbraw/zinc/67/18/59/568671859.db2.gz CSVJAVPREICFQF-ICSRJNTNSA-N 2 1 402.583 4.127 50 0 HIAAMP Cc1ccc([C@@H]([NH2+]CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547265 568852764 /nfs/dbraw/zinc/85/27/64/568852764.db2.gz HEDPYSADSXQTFP-VPUSJEBWSA-N 2 1 413.565 4.065 50 0 HIAAMP Cc1ccc([C@@H]([NH2+]CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547265 568852766 /nfs/dbraw/zinc/85/27/66/568852766.db2.gz HEDPYSADSXQTFP-VPUSJEBWSA-N 2 1 413.565 4.065 50 0 HIAAMP O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012980727 569046395 /nfs/dbraw/zinc/04/63/95/569046395.db2.gz GYLAMDLZXUIPRA-RUZDIDTESA-N 2 1 419.594 4.208 50 0 HIAAMP O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000079192064 569429344 /nfs/dbraw/zinc/42/93/44/569429344.db2.gz ZFWMBYGLLMRXMA-UKILVPOCSA-N 2 1 417.597 4.089 50 0 HIAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000055271517 571315293 /nfs/dbraw/zinc/31/52/93/571315293.db2.gz FXUDEACXROXIBT-UHFFFAOYSA-N 2 1 421.507 4.461 50 0 HIAAMP CCn1nc(C)c(C[N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)c1C ZINC000011998330 845846547 /nfs/dbraw/zinc/84/65/47/845846547.db2.gz SLXVFGDPIWOHEV-UHFFFAOYSA-N 2 1 416.585 4.020 50 0 HIAAMP COc1cc(C[N@H+](C)Cc2ccccc2Cl)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012094441 845853114 /nfs/dbraw/zinc/85/31/14/845853114.db2.gz ZDURQBIHZMSMEJ-HXUWFJFHSA-N 2 1 420.981 4.061 50 0 HIAAMP COc1cc(C[N@@H+](C)Cc2ccccc2Cl)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012094441 845853119 /nfs/dbraw/zinc/85/31/19/845853119.db2.gz ZDURQBIHZMSMEJ-HXUWFJFHSA-N 2 1 420.981 4.061 50 0 HIAAMP COc1cc(C[NH+](C)Cc2ccccc2Cl)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012094441 845853122 /nfs/dbraw/zinc/85/31/22/845853122.db2.gz ZDURQBIHZMSMEJ-HXUWFJFHSA-N 2 1 420.981 4.061 50 0 HIAAMP COc1cc(C[NH+](C)Cc2ccccc2Cl)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012094441 845853124 /nfs/dbraw/zinc/85/31/24/845853124.db2.gz ZDURQBIHZMSMEJ-HXUWFJFHSA-N 2 1 420.981 4.061 50 0 HIAAMP COCc1cc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)ccc1OC ZINC000012457024 845872677 /nfs/dbraw/zinc/87/26/77/845872677.db2.gz XUZLXYZWGZHIOT-UHFFFAOYSA-N 2 1 414.565 4.367 50 0 HIAAMP CC(C)c1nnc([C@@H]2C[N@H+](C)CC23CC[NH+](Cc2cc(Cl)ccc2F)CC3)o1 ZINC000409419759 855483365 /nfs/dbraw/zinc/48/33/65/855483365.db2.gz ZVQMXTSGLFICQS-KRWDZBQOSA-N 2 1 406.933 4.297 50 0 HIAAMP CC(C)c1nnc([C@@H]2C[N@@H+](C)CC23CC[NH+](Cc2cc(Cl)ccc2F)CC3)o1 ZINC000409419759 855483366 /nfs/dbraw/zinc/48/33/66/855483366.db2.gz ZVQMXTSGLFICQS-KRWDZBQOSA-N 2 1 406.933 4.297 50 0 HIAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874780 558418871 /nfs/dbraw/zinc/41/88/71/558418871.db2.gz XELUHQVLAYANQM-UHFFFAOYSA-N 2 1 421.379 4.434 50 0 HIAAMP COc1ccc(C[N@@H+](C)CCCC2CCCC2)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012574891 558430563 /nfs/dbraw/zinc/43/05/63/558430563.db2.gz UGQJHZRQYZJXFJ-QFIPXVFZSA-N 2 1 406.611 4.177 50 0 HIAAMP COc1ccc(C[NH+](C)CCCC2CCCC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012574891 558430565 /nfs/dbraw/zinc/43/05/65/558430565.db2.gz UGQJHZRQYZJXFJ-QFIPXVFZSA-N 2 1 406.611 4.177 50 0 HIAAMP COc1ccc(C[NH+](C)CCCC2CCCC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012574891 558430567 /nfs/dbraw/zinc/43/05/67/558430567.db2.gz UGQJHZRQYZJXFJ-QFIPXVFZSA-N 2 1 406.611 4.177 50 0 HIAAMP CC[N@H+](Cc1ccccc1OCCO)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012590710 558435551 /nfs/dbraw/zinc/43/55/51/558435551.db2.gz PJTMOBXVVIAEPY-UHFFFAOYSA-N 2 1 410.602 4.143 50 0 HIAAMP C[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000012717690 558455751 /nfs/dbraw/zinc/45/57/51/558455751.db2.gz PLZZPCCUMMIKDK-UHFFFAOYSA-N 2 1 408.521 4.144 50 0 HIAAMP C[N@H+](Cc1nc(Cc2cccc(F)c2)no1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000012717690 558455753 /nfs/dbraw/zinc/45/57/53/558455753.db2.gz PLZZPCCUMMIKDK-UHFFFAOYSA-N 2 1 408.521 4.144 50 0 HIAAMP Cc1ncc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000022925774 558523202 /nfs/dbraw/zinc/52/32/02/558523202.db2.gz ISMVFGRJHQUPSD-OAQYLSRUSA-N 2 1 404.668 4.394 50 0 HIAAMP OCC[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000013732976 558587625 /nfs/dbraw/zinc/58/76/25/558587625.db2.gz PKXKQYQKYDVKQT-UHFFFAOYSA-N 2 1 417.764 4.287 50 0 HIAAMP O=C(CCC(F)(F)F)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014951121 558680944 /nfs/dbraw/zinc/68/09/44/558680944.db2.gz KCLVBRUYZNKTBT-LJQANCHMSA-N 2 1 417.560 4.298 50 0 HIAAMP COCC[N@@H+](Cc1cc2ccccc2[nH]1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014981352 558691988 /nfs/dbraw/zinc/69/19/88/558691988.db2.gz DCOVMMIZWHFJPM-OAQYLSRUSA-N 2 1 417.597 4.496 50 0 HIAAMP COCC[N@H+](Cc1cc2ccccc2[nH]1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014981352 558691993 /nfs/dbraw/zinc/69/19/93/558691993.db2.gz DCOVMMIZWHFJPM-OAQYLSRUSA-N 2 1 417.597 4.496 50 0 HIAAMP COCC[NH+](Cc1cc2ccccc2[nH]1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014981352 558691996 /nfs/dbraw/zinc/69/19/96/558691996.db2.gz DCOVMMIZWHFJPM-OAQYLSRUSA-N 2 1 417.597 4.496 50 0 HIAAMP COCC[NH+](Cc1cc2ccccc2[nH]1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014981352 558691999 /nfs/dbraw/zinc/69/19/99/558691999.db2.gz DCOVMMIZWHFJPM-OAQYLSRUSA-N 2 1 417.597 4.496 50 0 HIAAMP COc1ccc(C[NH2+]Cc2cccc3ccccc32)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012057276 845851205 /nfs/dbraw/zinc/85/12/05/845851205.db2.gz GPODTEDHBROAMS-QHCPKHFHSA-N 2 1 422.569 4.218 50 0 HIAAMP COc1ccc(CC[N@H+](Cc2nc3c(s2)CCCC3)CC2CC[NH+](C)CC2)cc1 ZINC000012589941 845878572 /nfs/dbraw/zinc/87/85/72/845878572.db2.gz ABRXWOYGLGZIOP-UHFFFAOYSA-N 2 1 413.631 4.417 50 0 HIAAMP C[N@@H+](Cc1ccccc1OC[C@@H](O)C[NH+]1CCc2ccccc2C1)C(C1CC1)C1CC1 ZINC000019228946 846359903 /nfs/dbraw/zinc/35/99/03/846359903.db2.gz UVDSIRRLJPLJQW-VWLOTQADSA-N 2 1 420.597 4.105 50 0 HIAAMP C[NH+](Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C(C1CC1)C1CC1 ZINC000019228946 846359914 /nfs/dbraw/zinc/35/99/14/846359914.db2.gz UVDSIRRLJPLJQW-VWLOTQADSA-N 2 1 420.597 4.105 50 0 HIAAMP C[NH+](Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C(C1CC1)C1CC1 ZINC000019228946 846359928 /nfs/dbraw/zinc/35/99/28/846359928.db2.gz UVDSIRRLJPLJQW-VWLOTQADSA-N 2 1 420.597 4.105 50 0 HIAAMP CC[N@H+](Cc1nc(-c2ccccc2)cs1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000011662904 558266455 /nfs/dbraw/zinc/26/64/55/558266455.db2.gz SXLGFFKWAAGNHY-UHFFFAOYSA-N 2 1 412.647 4.438 50 0 HIAAMP C[N@@H+](Cc1cccn1-c1ccccn1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000011667795 558269548 /nfs/dbraw/zinc/26/95/48/558269548.db2.gz RRUWYLIPENHBIU-JOCHJYFZSA-N 2 1 406.549 4.398 50 0 HIAAMP C[N@H+](Cc1cccn1-c1ccccn1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000011667795 558269549 /nfs/dbraw/zinc/26/95/49/558269549.db2.gz RRUWYLIPENHBIU-JOCHJYFZSA-N 2 1 406.549 4.398 50 0 HIAAMP C[NH+](Cc1cccn1-c1ccccn1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011667795 558269550 /nfs/dbraw/zinc/26/95/50/558269550.db2.gz RRUWYLIPENHBIU-JOCHJYFZSA-N 2 1 406.549 4.398 50 0 HIAAMP C[NH+](Cc1cccn1-c1ccccn1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011667795 558269552 /nfs/dbraw/zinc/26/95/52/558269552.db2.gz RRUWYLIPENHBIU-JOCHJYFZSA-N 2 1 406.549 4.398 50 0 HIAAMP Cc1nn(C)c(Cl)c1C[N@H+](C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012298051 558367936 /nfs/dbraw/zinc/36/79/36/558367936.db2.gz JZKRCFHLKKIWAL-UHFFFAOYSA-N 2 1 409.405 4.422 50 0 HIAAMP Cc1nn(C)c(Cl)c1C[N@@H+](C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012298051 558367938 /nfs/dbraw/zinc/36/79/38/558367938.db2.gz JZKRCFHLKKIWAL-UHFFFAOYSA-N 2 1 409.405 4.422 50 0 HIAAMP Cc1ccc(C[N@H+](C)Cc2cccc(OC[C@H](O)C[NH+](C)C3CCCCC3)c2)o1 ZINC000012313805 558377168 /nfs/dbraw/zinc/37/71/68/558377168.db2.gz WDLUYEZDSBROSU-JOCHJYFZSA-N 2 1 400.563 4.224 50 0 HIAAMP Cc1ccc(C[NH+](C)Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)o1 ZINC000012313805 558377170 /nfs/dbraw/zinc/37/71/70/558377170.db2.gz WDLUYEZDSBROSU-JOCHJYFZSA-N 2 1 400.563 4.224 50 0 HIAAMP Cc1ccc(C[NH+](C)Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)o1 ZINC000012313805 558377173 /nfs/dbraw/zinc/37/71/73/558377173.db2.gz WDLUYEZDSBROSU-JOCHJYFZSA-N 2 1 400.563 4.224 50 0 HIAAMP OC[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000012594425 558436921 /nfs/dbraw/zinc/43/69/21/558436921.db2.gz SVFKDWLFORJZLO-HSZRJFAPSA-N 2 1 402.579 4.300 50 0 HIAAMP COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000014954864 558681930 /nfs/dbraw/zinc/68/19/30/558681930.db2.gz CMXPLLKRJSRDNL-LJQANCHMSA-N 2 1 422.548 4.461 50 0 HIAAMP COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000014954864 558681933 /nfs/dbraw/zinc/68/19/33/558681933.db2.gz CMXPLLKRJSRDNL-LJQANCHMSA-N 2 1 422.548 4.461 50 0 HIAAMP COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000014954864 558681938 /nfs/dbraw/zinc/68/19/38/558681938.db2.gz CMXPLLKRJSRDNL-LJQANCHMSA-N 2 1 422.548 4.461 50 0 HIAAMP COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000014954864 558681940 /nfs/dbraw/zinc/68/19/40/558681940.db2.gz CMXPLLKRJSRDNL-LJQANCHMSA-N 2 1 422.548 4.461 50 0 HIAAMP COc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066050 558708808 /nfs/dbraw/zinc/70/88/08/558708808.db2.gz NWGPXLIELLEAPT-QFIPXVFZSA-N 2 1 409.574 4.040 50 0 HIAAMP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066050 558708811 /nfs/dbraw/zinc/70/88/11/558708811.db2.gz NWGPXLIELLEAPT-QFIPXVFZSA-N 2 1 409.574 4.040 50 0 HIAAMP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066050 558708814 /nfs/dbraw/zinc/70/88/14/558708814.db2.gz NWGPXLIELLEAPT-QFIPXVFZSA-N 2 1 409.574 4.040 50 0 HIAAMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2)C1 ZINC000078480225 571313459 /nfs/dbraw/zinc/31/34/59/571313459.db2.gz NRUMFMLCAIUGMB-REWPJTCUSA-N 2 1 424.589 4.148 50 0 HIAAMP Cc1cnccc1C[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000011661455 845823426 /nfs/dbraw/zinc/82/34/26/845823426.db2.gz LJKWUHZWJJNQKJ-DEOSSOPVSA-N 2 1 411.590 4.026 50 0 HIAAMP Cc1cnccc1C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000011661455 845823427 /nfs/dbraw/zinc/82/34/27/845823427.db2.gz LJKWUHZWJJNQKJ-DEOSSOPVSA-N 2 1 411.590 4.026 50 0 HIAAMP Cc1cnccc1C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000011661455 845823434 /nfs/dbraw/zinc/82/34/34/845823434.db2.gz LJKWUHZWJJNQKJ-DEOSSOPVSA-N 2 1 411.590 4.026 50 0 HIAAMP COc1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1F ZINC000014974005 845995809 /nfs/dbraw/zinc/99/58/09/845995809.db2.gz CBMSABBBJIWILF-JOCHJYFZSA-N 2 1 404.570 4.470 50 0 HIAAMP Cc1nn(C)cc1C[N@@H+](C)[C@H](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000020118411 846381463 /nfs/dbraw/zinc/38/14/63/846381463.db2.gz BXGIZXMCWIZONF-RUZDIDTESA-N 2 1 424.564 4.416 50 0 HIAAMP CC(C)Oc1c(Br)cc(C[NH2+]CCC[NH+](C)C)cc1Br ZINC000040719675 519777485 /nfs/dbraw/zinc/77/74/85/519777485.db2.gz HGZMEEIWLDXMHE-UHFFFAOYSA-N 2 1 408.178 4.040 50 0 HIAAMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Br)c1OCc1cccc(C)c1 ZINC000040719971 522447622 /nfs/dbraw/zinc/44/76/22/522447622.db2.gz NOPVEGVBVCCYAO-UHFFFAOYSA-N 2 1 421.379 4.386 50 0 HIAAMP C[N@@H+](Cc1cccn1-c1ccccn1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000011667794 558269525 /nfs/dbraw/zinc/26/95/25/558269525.db2.gz RRUWYLIPENHBIU-QFIPXVFZSA-N 2 1 406.549 4.398 50 0 HIAAMP C[N@H+](Cc1cccn1-c1ccccn1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000011667794 558269526 /nfs/dbraw/zinc/26/95/26/558269526.db2.gz RRUWYLIPENHBIU-QFIPXVFZSA-N 2 1 406.549 4.398 50 0 HIAAMP C[NH+](Cc1cccn1-c1ccccn1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011667794 558269527 /nfs/dbraw/zinc/26/95/27/558269527.db2.gz RRUWYLIPENHBIU-QFIPXVFZSA-N 2 1 406.549 4.398 50 0 HIAAMP C[NH+](Cc1cccn1-c1ccccn1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011667794 558269528 /nfs/dbraw/zinc/26/95/28/558269528.db2.gz RRUWYLIPENHBIU-QFIPXVFZSA-N 2 1 406.549 4.398 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817254 558280595 /nfs/dbraw/zinc/28/05/95/558280595.db2.gz PKHZGEUENIKUKH-QHCPKHFHSA-N 2 1 409.574 4.040 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817254 558280597 /nfs/dbraw/zinc/28/05/97/558280597.db2.gz PKHZGEUENIKUKH-QHCPKHFHSA-N 2 1 409.574 4.040 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817254 558280600 /nfs/dbraw/zinc/28/06/00/558280600.db2.gz PKHZGEUENIKUKH-QHCPKHFHSA-N 2 1 409.574 4.040 50 0 HIAAMP COc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000011838844 558285598 /nfs/dbraw/zinc/28/55/98/558285598.db2.gz FDHNEKDPDDRGRC-HSZRJFAPSA-N 2 1 404.570 4.470 50 0 HIAAMP CCn1cc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000011937197 558301105 /nfs/dbraw/zinc/30/11/05/558301105.db2.gz JLXNDINUQOSVFY-NRFANRHFSA-N 2 1 424.633 4.206 50 0 HIAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccnc2)C2CCN(C)CC2)CC1 ZINC000020212011 558347862 /nfs/dbraw/zinc/34/78/62/558347862.db2.gz RMYDAQGCLZLKMM-UHFFFAOYSA-N 2 1 406.618 4.198 50 0 HIAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)Cc2cccn2-c2nccs2)CC1 ZINC000012716540 558455491 /nfs/dbraw/zinc/45/54/91/558455491.db2.gz CUTJVAJYDCJOMR-UHFFFAOYSA-N 2 1 424.614 4.329 50 0 HIAAMP COc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066051 558708777 /nfs/dbraw/zinc/70/87/77/558708777.db2.gz NWGPXLIELLEAPT-JOCHJYFZSA-N 2 1 409.574 4.040 50 0 HIAAMP COc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066051 558708779 /nfs/dbraw/zinc/70/87/79/558708779.db2.gz NWGPXLIELLEAPT-JOCHJYFZSA-N 2 1 409.574 4.040 50 0 HIAAMP COc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066051 558708782 /nfs/dbraw/zinc/70/87/82/558708782.db2.gz NWGPXLIELLEAPT-JOCHJYFZSA-N 2 1 409.574 4.040 50 0 HIAAMP C[N@H+](C[C@H](O)COc1cccc(C[NH2+]Cc2c(F)cccc2F)c1)C1CCCCC1 ZINC000015071659 558713307 /nfs/dbraw/zinc/71/33/07/558713307.db2.gz PGBQUNUGLIJDOY-FQEVSTJZSA-N 2 1 418.528 4.259 50 0 HIAAMP C[N@@H+](C[C@H](O)COc1cccc(C[NH2+]Cc2c(F)cccc2F)c1)C1CCCCC1 ZINC000015071659 558713309 /nfs/dbraw/zinc/71/33/09/558713309.db2.gz PGBQUNUGLIJDOY-FQEVSTJZSA-N 2 1 418.528 4.259 50 0 HIAAMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2)C1 ZINC000230068516 568805782 /nfs/dbraw/zinc/80/57/82/568805782.db2.gz JOTUMZQZYDQGNL-WIYYLYMNSA-N 2 1 414.619 4.082 50 0 HIAAMP CN(C1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000020914608 846395078 /nfs/dbraw/zinc/39/50/78/846395078.db2.gz SVQNZGNDCLMEGY-SANMLTNESA-N 2 1 406.618 4.075 50 0 HIAAMP CN(C1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000020914608 846395090 /nfs/dbraw/zinc/39/50/90/846395090.db2.gz SVQNZGNDCLMEGY-SANMLTNESA-N 2 1 406.618 4.075 50 0 HIAAMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226299 849989092 /nfs/dbraw/zinc/98/90/92/849989092.db2.gz DAVPVVFUANJKSV-HXUWFJFHSA-N 2 1 402.966 4.441 50 0 HIAAMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226299 849989101 /nfs/dbraw/zinc/98/91/01/849989101.db2.gz DAVPVVFUANJKSV-HXUWFJFHSA-N 2 1 402.966 4.441 50 0 HIAAMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226299 849989111 /nfs/dbraw/zinc/98/91/11/849989111.db2.gz DAVPVVFUANJKSV-HXUWFJFHSA-N 2 1 402.966 4.441 50 0 HIAAMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226299 849989116 /nfs/dbraw/zinc/98/91/16/849989116.db2.gz DAVPVVFUANJKSV-HXUWFJFHSA-N 2 1 402.966 4.441 50 0 HIAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccco3)cc2)C1)C1CC[NH+](C)CC1 ZINC000011842907 558287915 /nfs/dbraw/zinc/28/79/15/558287915.db2.gz OORXKGNSWLECSR-OAQYLSRUSA-N 2 1 423.601 4.491 50 0 HIAAMP CCCCc1ncc(C[N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)[nH]1 ZINC000011935745 558299722 /nfs/dbraw/zinc/29/97/22/558299722.db2.gz RAAKCQMZQHMIID-UHFFFAOYSA-N 2 1 416.585 4.252 50 0 HIAAMP Cn1cc(C[N@@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000012385355 558394253 /nfs/dbraw/zinc/39/42/53/558394253.db2.gz MFNWZIBVYYOMJV-UHFFFAOYSA-N 2 1 402.586 4.474 50 0 HIAAMP c1cc2c(c(C[N@@H+](C[C@@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)c1)OCO2 ZINC000012439454 558410901 /nfs/dbraw/zinc/41/09/01/558410901.db2.gz MYAHPKWXQVCGBS-QFIPXVFZSA-N 2 1 400.563 4.051 50 0 HIAAMP CCn1ccnc1C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012446693 558414348 /nfs/dbraw/zinc/41/43/48/558414348.db2.gz QLZITJNDTBHYIJ-XMMPIXPASA-N 2 1 410.606 4.105 50 0 HIAAMP CCn1ccnc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012446693 558414351 /nfs/dbraw/zinc/41/43/51/558414351.db2.gz QLZITJNDTBHYIJ-XMMPIXPASA-N 2 1 410.606 4.105 50 0 HIAAMP CCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)cc1CO ZINC000012711601 558452633 /nfs/dbraw/zinc/45/26/33/558452633.db2.gz VEUPSVIUFRUMNQ-OAQYLSRUSA-N 2 1 414.565 4.103 50 0 HIAAMP CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)cc1CO ZINC000012711601 558452636 /nfs/dbraw/zinc/45/26/36/558452636.db2.gz VEUPSVIUFRUMNQ-OAQYLSRUSA-N 2 1 414.565 4.103 50 0 HIAAMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1CO ZINC000012711601 558452637 /nfs/dbraw/zinc/45/26/37/558452637.db2.gz VEUPSVIUFRUMNQ-OAQYLSRUSA-N 2 1 414.565 4.103 50 0 HIAAMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc1CO ZINC000012711601 558452640 /nfs/dbraw/zinc/45/26/40/558452640.db2.gz VEUPSVIUFRUMNQ-OAQYLSRUSA-N 2 1 414.565 4.103 50 0 HIAAMP CC[N@H+](Cc1cnc(N(C)C)s1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000014948244 558680318 /nfs/dbraw/zinc/68/03/18/558680318.db2.gz LCSHVDKTUUEFMT-UHFFFAOYSA-N 2 1 400.636 4.294 50 0 HIAAMP C[NH+](Cc1ccc(F)cc1)Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000014955112 558682165 /nfs/dbraw/zinc/68/21/65/558682165.db2.gz VZOKEQMUMMCKDI-RUZDIDTESA-N 2 1 422.544 4.329 50 0 HIAAMP C[NH+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000014955112 558682167 /nfs/dbraw/zinc/68/21/67/558682167.db2.gz VZOKEQMUMMCKDI-RUZDIDTESA-N 2 1 422.544 4.329 50 0 HIAAMP C[NH+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000014955112 558682170 /nfs/dbraw/zinc/68/21/70/558682170.db2.gz VZOKEQMUMMCKDI-RUZDIDTESA-N 2 1 422.544 4.329 50 0 HIAAMP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971649 558687446 /nfs/dbraw/zinc/68/74/46/558687446.db2.gz QOFXMZAVCRDHRM-JOCHJYFZSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971649 558687449 /nfs/dbraw/zinc/68/74/49/558687449.db2.gz QOFXMZAVCRDHRM-JOCHJYFZSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971649 558687451 /nfs/dbraw/zinc/68/74/51/558687451.db2.gz QOFXMZAVCRDHRM-JOCHJYFZSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971649 558687454 /nfs/dbraw/zinc/68/74/54/558687454.db2.gz QOFXMZAVCRDHRM-JOCHJYFZSA-N 2 1 412.574 4.099 50 0 HIAAMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072448243 558982666 /nfs/dbraw/zinc/98/26/66/558982666.db2.gz BZAQCYFGZVLSFU-HNNXBMFYSA-N 2 1 409.917 4.455 50 0 HIAAMP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1OC ZINC000047778185 568431224 /nfs/dbraw/zinc/43/12/24/568431224.db2.gz ZXLRCTJXPOCDSK-RTBURBONSA-N 2 1 412.574 4.480 50 0 HIAAMP COc1ccc(CC[N@H+](Cc2cccn2-c2nccs2)CC2CC[NH+](C)CC2)cc1 ZINC000020203367 568594229 /nfs/dbraw/zinc/59/42/29/568594229.db2.gz OHTQICSEGACSJU-UHFFFAOYSA-N 2 1 424.614 4.329 50 0 HIAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2ccc(Cl)c(F)c2)CC1 ZINC000012308862 569381012 /nfs/dbraw/zinc/38/10/12/569381012.db2.gz HTIUCVRDCVBNPJ-UHFFFAOYSA-N 2 1 405.945 4.235 50 0 HIAAMP C[N@H+](Cc1ccc(OCCO)cc1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000012298459 845866090 /nfs/dbraw/zinc/86/60/90/845866090.db2.gz IXDXDXQWJKJMMA-JOCHJYFZSA-N 2 1 416.993 4.098 50 0 HIAAMP C[NH+](Cc1ccc(OCCO)cc1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012298459 845866097 /nfs/dbraw/zinc/86/60/97/845866097.db2.gz IXDXDXQWJKJMMA-JOCHJYFZSA-N 2 1 416.993 4.098 50 0 HIAAMP C[NH+](Cc1ccc(OCCO)cc1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012298459 845866102 /nfs/dbraw/zinc/86/61/02/845866102.db2.gz IXDXDXQWJKJMMA-JOCHJYFZSA-N 2 1 416.993 4.098 50 0 HIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cc(OC)ccc3F)CC2)cc1 ZINC000011661423 558265328 /nfs/dbraw/zinc/26/53/28/558265328.db2.gz XWRPSPNLIBUGSQ-UHFFFAOYSA-N 2 1 400.538 4.229 50 0 HIAAMP C[N@@H+](Cc1ccccc1OCCO)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011843125 558288262 /nfs/dbraw/zinc/28/82/62/558288262.db2.gz MSZGFHZFGMOLRF-NRFANRHFSA-N 2 1 416.993 4.098 50 0 HIAAMP C[N@H+](Cc1ccccc1OCCO)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011843125 558288265 /nfs/dbraw/zinc/28/82/65/558288265.db2.gz MSZGFHZFGMOLRF-NRFANRHFSA-N 2 1 416.993 4.098 50 0 HIAAMP C[NH+](Cc1ccccc1OCCO)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011843125 558288268 /nfs/dbraw/zinc/28/82/68/558288268.db2.gz MSZGFHZFGMOLRF-NRFANRHFSA-N 2 1 416.993 4.098 50 0 HIAAMP C[NH+](Cc1ccccc1OCCO)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011843125 558288271 /nfs/dbraw/zinc/28/82/71/558288271.db2.gz MSZGFHZFGMOLRF-NRFANRHFSA-N 2 1 416.993 4.098 50 0 HIAAMP C[N@@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCN(Cc2ccco2)CC1 ZINC000011878365 558292821 /nfs/dbraw/zinc/29/28/21/558292821.db2.gz DDPORRHCVNNWTD-UHFFFAOYSA-N 2 1 413.581 4.270 50 0 HIAAMP CC[N@H+](Cc1ccc(OCCO)cc1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000011933968 558298378 /nfs/dbraw/zinc/29/83/78/558298378.db2.gz SJJRXLYTMXSKKX-UHFFFAOYSA-N 2 1 410.602 4.143 50 0 HIAAMP C[C@H]1CN(C(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)CC[N@@H+]1C ZINC000012430349 558405280 /nfs/dbraw/zinc/40/52/80/558405280.db2.gz TYTBOWWQOASXJK-KRWDZBQOSA-N 2 1 422.013 4.005 50 0 HIAAMP C[C@H]1CN(C(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)CC[N@H+]1C ZINC000012430349 558405282 /nfs/dbraw/zinc/40/52/82/558405282.db2.gz TYTBOWWQOASXJK-KRWDZBQOSA-N 2 1 422.013 4.005 50 0 HIAAMP COc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(OC)c1 ZINC000012439234 558410918 /nfs/dbraw/zinc/41/09/18/558410918.db2.gz MOHBXLGPACCMNK-UHFFFAOYSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1OC ZINC000012576745 558431097 /nfs/dbraw/zinc/43/10/97/558431097.db2.gz SRTLGOIHMRKSDN-HSZRJFAPSA-N 2 1 416.606 4.339 50 0 HIAAMP O=C(CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012712485 558453235 /nfs/dbraw/zinc/45/32/35/558453235.db2.gz MHUJYIJVELJSLS-HSZRJFAPSA-N 2 1 423.576 4.162 50 0 HIAAMP O=C(CC[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012712485 558453238 /nfs/dbraw/zinc/45/32/38/558453238.db2.gz MHUJYIJVELJSLS-HSZRJFAPSA-N 2 1 423.576 4.162 50 0 HIAAMP Fc1cccc(F)c1C[N@@H+]1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000014996368 558696345 /nfs/dbraw/zinc/69/63/45/558696345.db2.gz PAMYUFXFTLNVCZ-QGZVFWFLSA-N 2 1 418.557 4.322 50 0 HIAAMP Fc1cccc(F)c1C[N@H+]1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000014996368 558696346 /nfs/dbraw/zinc/69/63/46/558696346.db2.gz PAMYUFXFTLNVCZ-QGZVFWFLSA-N 2 1 418.557 4.322 50 0 HIAAMP Fc1cccc(F)c1C[N@@H+]1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000014996371 558696392 /nfs/dbraw/zinc/69/63/92/558696392.db2.gz PAMYUFXFTLNVCZ-KRWDZBQOSA-N 2 1 418.557 4.322 50 0 HIAAMP Fc1cccc(F)c1C[N@H+]1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000014996371 558696395 /nfs/dbraw/zinc/69/63/95/558696395.db2.gz PAMYUFXFTLNVCZ-KRWDZBQOSA-N 2 1 418.557 4.322 50 0 HIAAMP Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4[nH]cc(C[NH+]5CCCC5)c43)CC2)cc1 ZINC000065135805 569184125 /nfs/dbraw/zinc/18/41/25/569184125.db2.gz BJFFZNXJQINBPK-UHFFFAOYSA-N 2 1 416.569 4.030 50 0 HIAAMP C[N@H+](CCC[NH2+]Cc1cccn1-c1nnc(N2CCCCC2)s1)C1CCCCC1 ZINC000007002148 569198938 /nfs/dbraw/zinc/19/89/38/569198938.db2.gz DSBIMTGIBQLRFK-UHFFFAOYSA-N 2 1 416.639 4.063 50 0 HIAAMP C[N@@H+](CCC[NH2+]Cc1cccn1-c1nnc(N2CCCCC2)s1)C1CCCCC1 ZINC000007002148 569198939 /nfs/dbraw/zinc/19/89/39/569198939.db2.gz DSBIMTGIBQLRFK-UHFFFAOYSA-N 2 1 416.639 4.063 50 0 HIAAMP Fc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(F)c1 ZINC000011982707 845845743 /nfs/dbraw/zinc/84/57/43/845845743.db2.gz PIWSIDGLSKJGQY-GOSISDBHSA-N 2 1 418.557 4.322 50 0 HIAAMP Fc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(F)c1 ZINC000011982707 845845750 /nfs/dbraw/zinc/84/57/50/845845750.db2.gz PIWSIDGLSKJGQY-GOSISDBHSA-N 2 1 418.557 4.322 50 0 HIAAMP OCC[NH2+]CCC[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 ZINC000040720776 527553676 /nfs/dbraw/zinc/55/36/76/527553676.db2.gz NXJHREPXMONWPK-UHFFFAOYSA-N 2 1 416.924 4.273 50 0 HIAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](CCCn2cccn2)Cc2cccnc2)CC1 ZINC000011754004 558272885 /nfs/dbraw/zinc/27/28/85/558272885.db2.gz IUBUBWYCHQVJRL-UHFFFAOYSA-N 2 1 417.601 4.391 50 0 HIAAMP C[N@@H+](C[C@H](O)COc1ccccc1C[NH2+]C1(c2ccccc2)CC1)C1CCCCC1 ZINC000011951737 558302995 /nfs/dbraw/zinc/30/29/95/558302995.db2.gz RRZXLYPNCCUACW-DEOSSOPVSA-N 2 1 408.586 4.470 50 0 HIAAMP CCOc1cc(C[N@@H+](CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)ccc1O ZINC000012073480 558318379 /nfs/dbraw/zinc/31/83/79/558318379.db2.gz IKBKPVLHCIZNDC-UHFFFAOYSA-N 2 1 412.574 4.186 50 0 HIAAMP Cn1c2ccccc2nc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012298070 558368154 /nfs/dbraw/zinc/36/81/54/558368154.db2.gz WWOXUUAFLMBYHZ-JOCHJYFZSA-N 2 1 410.606 4.209 50 0 HIAAMP COc1cc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc(OC)c1 ZINC000012432887 558406997 /nfs/dbraw/zinc/40/69/97/558406997.db2.gz AOYDAMABWOPKHX-UHFFFAOYSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(CC[N@H+](Cc2ccc(OC)cc2F)CC2CC[NH+](C)CC2)cc1 ZINC000012705843 558449762 /nfs/dbraw/zinc/44/97/62/558449762.db2.gz VNSPDEFOLOQGHC-UHFFFAOYSA-N 2 1 400.538 4.229 50 0 HIAAMP C[N@@H+](CCCn1cccn1)C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000015074196 558715046 /nfs/dbraw/zinc/71/50/46/558715046.db2.gz ZODQHVYLUBVBCI-FQEVSTJZSA-N 2 1 408.512 4.179 50 0 HIAAMP C[NH+](CCCn1cccn1)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000015074196 558715048 /nfs/dbraw/zinc/71/50/48/558715048.db2.gz ZODQHVYLUBVBCI-FQEVSTJZSA-N 2 1 408.512 4.179 50 0 HIAAMP C[NH+](CCCn1cccn1)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000015074196 558715053 /nfs/dbraw/zinc/71/50/53/558715053.db2.gz ZODQHVYLUBVBCI-FQEVSTJZSA-N 2 1 408.512 4.179 50 0 HIAAMP O=c1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]c2ccccc12 ZINC000015076508 558716502 /nfs/dbraw/zinc/71/65/02/558716502.db2.gz HRRFAXKTAFEXRP-QHCPKHFHSA-N 2 1 423.601 4.164 50 0 HIAAMP O=c1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]c2ccccc12 ZINC000015076510 558716630 /nfs/dbraw/zinc/71/66/30/558716630.db2.gz HRRFAXKTAFEXRP-HSZRJFAPSA-N 2 1 423.601 4.164 50 0 HIAAMP C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000106920751 560894438 /nfs/dbraw/zinc/89/44/38/560894438.db2.gz PJRMFQGLSRNIKD-RCZVLFRGSA-N 2 1 405.586 4.024 50 0 HIAAMP C[NH+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000106920751 560894440 /nfs/dbraw/zinc/89/44/40/560894440.db2.gz PJRMFQGLSRNIKD-RCZVLFRGSA-N 2 1 405.586 4.024 50 0 HIAAMP C[NH+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000106920751 560894442 /nfs/dbraw/zinc/89/44/42/560894442.db2.gz PJRMFQGLSRNIKD-RCZVLFRGSA-N 2 1 405.586 4.024 50 0 HIAAMP CCn1cc(C[NH+]2CCC(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)CC2)c2ccccc21 ZINC000035457875 569037962 /nfs/dbraw/zinc/03/79/62/569037962.db2.gz QRAZROIKKFGALG-OAQYLSRUSA-N 2 1 424.633 4.111 50 0 HIAAMP Cc1cccnc1C[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012434972 845871602 /nfs/dbraw/zinc/87/16/02/845871602.db2.gz ILEIPNYTIJVEIO-QHCPKHFHSA-N 2 1 411.590 4.026 50 0 HIAAMP Cc1cccnc1C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012434972 845871608 /nfs/dbraw/zinc/87/16/08/845871608.db2.gz ILEIPNYTIJVEIO-QHCPKHFHSA-N 2 1 411.590 4.026 50 0 HIAAMP Cc1cccnc1C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012434972 845871612 /nfs/dbraw/zinc/87/16/12/845871612.db2.gz ILEIPNYTIJVEIO-QHCPKHFHSA-N 2 1 411.590 4.026 50 0 HIAAMP COC(=O)c1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012714847 845884959 /nfs/dbraw/zinc/88/49/59/845884959.db2.gz GWDHIOCZLKJBLZ-DEOSSOPVSA-N 2 1 414.590 4.109 50 0 HIAAMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)ccc1O ZINC000014955866 845994359 /nfs/dbraw/zinc/99/43/59/845994359.db2.gz YMYZPPLSNSBBDV-UHFFFAOYSA-N 2 1 400.538 4.317 50 0 HIAAMP Cc1c(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c2ccccc2n1C ZINC000011934341 558298589 /nfs/dbraw/zinc/29/85/89/558298589.db2.gz TVHACCXRIFSJOA-OAQYLSRUSA-N 2 1 424.633 4.032 50 0 HIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2[nH]c3ccc(C)cc3c2C)CC1 ZINC000012074017 558318940 /nfs/dbraw/zinc/31/89/40/558318940.db2.gz OUJICUPNIZKXJC-QFIPXVFZSA-N 2 1 424.633 4.377 50 0 HIAAMP COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000020454129 558368104 /nfs/dbraw/zinc/36/81/04/558368104.db2.gz BCGRJZJAJGFDOF-HXUWFJFHSA-N 2 1 404.558 4.322 50 0 HIAAMP COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000020454129 558368105 /nfs/dbraw/zinc/36/81/05/558368105.db2.gz BCGRJZJAJGFDOF-HXUWFJFHSA-N 2 1 404.558 4.322 50 0 HIAAMP COc1cccc(-c2nn(-c3ccccc3)cc2C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000020454129 558368106 /nfs/dbraw/zinc/36/81/06/558368106.db2.gz BCGRJZJAJGFDOF-HXUWFJFHSA-N 2 1 404.558 4.322 50 0 HIAAMP COc1cccc(-c2nn(-c3ccccc3)cc2C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000020454129 558368107 /nfs/dbraw/zinc/36/81/07/558368107.db2.gz BCGRJZJAJGFDOF-HXUWFJFHSA-N 2 1 404.558 4.322 50 0 HIAAMP COCc1ccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)o1 ZINC000020877899 558419726 /nfs/dbraw/zinc/41/97/26/558419726.db2.gz VRAFUDIFISRQAZ-QFIPXVFZSA-N 2 1 417.638 4.369 50 0 HIAAMP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000014242561 558645120 /nfs/dbraw/zinc/64/51/20/558645120.db2.gz AEPLNOSEDSRMRQ-HXUWFJFHSA-N 2 1 419.594 4.333 50 0 HIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000014972059 558687834 /nfs/dbraw/zinc/68/78/34/558687834.db2.gz YFIYTHQHGPNAMJ-OAQYLSRUSA-N 2 1 403.636 4.001 50 0 HIAAMP Cc1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000019301053 558866527 /nfs/dbraw/zinc/86/65/27/558866527.db2.gz ZFDCVTKHWPRCNB-RUZDIDTESA-N 2 1 408.590 4.220 50 0 HIAAMP Cc1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000019301053 558866529 /nfs/dbraw/zinc/86/65/29/558866529.db2.gz ZFDCVTKHWPRCNB-RUZDIDTESA-N 2 1 408.590 4.220 50 0 HIAAMP CCNc1ncc(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)cn1 ZINC000072434305 558979826 /nfs/dbraw/zinc/97/98/26/558979826.db2.gz DOTKZZMNBFOFIX-UHFFFAOYSA-N 2 1 416.573 4.400 50 0 HIAAMP Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)C1 ZINC000670455445 568930658 /nfs/dbraw/zinc/93/06/58/568930658.db2.gz WBVTWGCWNFSJLJ-NRFANRHFSA-N 2 1 409.574 4.039 50 0 HIAAMP CCn1cc(C[NH+]2CCC(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)CC2)c2ccccc21 ZINC000035457871 569037924 /nfs/dbraw/zinc/03/79/24/569037924.db2.gz QRAZROIKKFGALG-NRFANRHFSA-N 2 1 424.633 4.111 50 0 HIAAMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ccnc(O[C@@H]5CCOC5)c4)[C@H]3C2)cc1 ZINC000252539711 569293230 /nfs/dbraw/zinc/29/32/30/569293230.db2.gz OKLILQZBYPVCSW-NDBXHCKUSA-N 2 1 421.585 4.030 50 0 HIAAMP COCC[N@@H+](CCCC(F)(F)F)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011753768 845830808 /nfs/dbraw/zinc/83/08/08/845830808.db2.gz STDCPMITOBOUBT-UHFFFAOYSA-N 2 1 402.501 4.198 50 0 HIAAMP COc1cc(O)ccc1C[N@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011937531 845841903 /nfs/dbraw/zinc/84/19/03/845841903.db2.gz FQMGZNFGDJQMJK-UHFFFAOYSA-N 2 1 409.574 4.453 50 0 HIAAMP CC(C)CC[N@H+]1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012134963 845855669 /nfs/dbraw/zinc/85/56/69/845855669.db2.gz QMJMRHFZBTYLFM-UHFFFAOYSA-N 2 1 409.574 4.366 50 0 HIAAMP C[N@H+](Cc1cccn1-c1cccnc1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012308313 845867372 /nfs/dbraw/zinc/86/73/72/845867372.db2.gz ZTBKFGFZZROVIB-UHFFFAOYSA-N 2 1 406.549 4.398 50 0 HIAAMP C[N@H+](Cc1cccn1-c1ncccn1)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000015064892 846005195 /nfs/dbraw/zinc/00/51/95/846005195.db2.gz NVXXZTCSQXVUEM-UHFFFAOYSA-N 2 1 423.992 4.307 50 0 HIAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)Cc2ccccc2OC(F)F)CC1 ZINC000055182896 849984356 /nfs/dbraw/zinc/98/43/56/849984356.db2.gz CEPQSRYWLCOYNB-UHFFFAOYSA-N 2 1 419.516 4.044 50 0 HIAAMP CC(C)c1nnc([C@@H]2C[N@H+](C)CC23CC[NH+](Cc2ccc(F)cc2Cl)CC3)o1 ZINC000257174446 854232991 /nfs/dbraw/zinc/23/29/91/854232991.db2.gz HBVAZQXZLVCJBJ-KRWDZBQOSA-N 2 1 406.933 4.297 50 0 HIAAMP CC(C)c1nnc([C@@H]2C[N@@H+](C)CC23CC[NH+](Cc2ccc(F)cc2Cl)CC3)o1 ZINC000257174446 854232999 /nfs/dbraw/zinc/23/29/99/854232999.db2.gz HBVAZQXZLVCJBJ-KRWDZBQOSA-N 2 1 406.933 4.297 50 0 HIAAMP C[NH2+]CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2C)c(OC)c1 ZINC000040719981 521998028 /nfs/dbraw/zinc/99/80/28/521998028.db2.gz SLJMTZLRXRILQM-UHFFFAOYSA-N 2 1 407.352 4.044 50 0 HIAAMP COCC[N@@H+](Cc1c(F)cccc1F)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011763454 558273574 /nfs/dbraw/zinc/27/35/74/558273574.db2.gz IETMYCRIYJBUPT-UHFFFAOYSA-N 2 1 406.492 4.465 50 0 HIAAMP COCC[N@H+](Cc1c(F)cccc1F)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011763454 558273578 /nfs/dbraw/zinc/27/35/78/558273578.db2.gz IETMYCRIYJBUPT-UHFFFAOYSA-N 2 1 406.492 4.465 50 0 HIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012112285 558326611 /nfs/dbraw/zinc/32/66/11/558326611.db2.gz RRYVGVCQXXSDGG-XOTIMPRHSA-N 2 1 401.639 4.048 50 0 HIAAMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cc1OC ZINC000012441085 558412129 /nfs/dbraw/zinc/41/21/29/558412129.db2.gz WCRABKVSJIARSP-OAQYLSRUSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cc1OC ZINC000012441085 558412131 /nfs/dbraw/zinc/41/21/31/558412131.db2.gz WCRABKVSJIARSP-OAQYLSRUSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc1OC ZINC000012441085 558412134 /nfs/dbraw/zinc/41/21/34/558412134.db2.gz WCRABKVSJIARSP-OAQYLSRUSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cc1OC ZINC000012441085 558412137 /nfs/dbraw/zinc/41/21/37/558412137.db2.gz WCRABKVSJIARSP-OAQYLSRUSA-N 2 1 400.538 4.229 50 0 HIAAMP Oc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000012468897 558421259 /nfs/dbraw/zinc/42/12/59/558421259.db2.gz TZBHUTCVEKGOIN-XMMPIXPASA-N 2 1 412.549 4.425 50 0 HIAAMP C[NH+](Cc1ccccc1)Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012594994 558437133 /nfs/dbraw/zinc/43/71/33/558437133.db2.gz VNHQXCQKZLFNDZ-VWLOTQADSA-N 2 1 404.554 4.190 50 0 HIAAMP C[NH+](Cc1ccccc1)C[C@H](O)COc1ccc(C[N@H+](C)Cc2ccccc2)cc1 ZINC000012594994 558437135 /nfs/dbraw/zinc/43/71/35/558437135.db2.gz VNHQXCQKZLFNDZ-VWLOTQADSA-N 2 1 404.554 4.190 50 0 HIAAMP C[NH+](Cc1ccccc1)C[C@H](O)COc1ccc(C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012594994 558437138 /nfs/dbraw/zinc/43/71/38/558437138.db2.gz VNHQXCQKZLFNDZ-VWLOTQADSA-N 2 1 404.554 4.190 50 0 HIAAMP CCCn1ncc(C[N@H+](CC)C[C@H]2CCC[NH+](CCc3cccc(OC)c3)C2)c1C ZINC000012706940 558450351 /nfs/dbraw/zinc/45/03/51/558450351.db2.gz RKUVYMPYKSXAIG-HSZRJFAPSA-N 2 1 412.622 4.387 50 0 HIAAMP CCCn1ncc(C[N@@H+](CC)C[C@H]2CCC[NH+](CCc3cccc(OC)c3)C2)c1C ZINC000012706940 558450354 /nfs/dbraw/zinc/45/03/54/558450354.db2.gz RKUVYMPYKSXAIG-HSZRJFAPSA-N 2 1 412.622 4.387 50 0 HIAAMP CCCn1ncc(C[NH+](CC)C[C@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)c1C ZINC000012706940 558450356 /nfs/dbraw/zinc/45/03/56/558450356.db2.gz RKUVYMPYKSXAIG-HSZRJFAPSA-N 2 1 412.622 4.387 50 0 HIAAMP CCCn1ncc(C[NH+](CC)C[C@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c1C ZINC000012706940 558450359 /nfs/dbraw/zinc/45/03/59/558450359.db2.gz RKUVYMPYKSXAIG-HSZRJFAPSA-N 2 1 412.622 4.387 50 0 HIAAMP CCOc1cccc(C[N@H+](CCOC)C[C@@H]2CCC[NH+](C3Cc4ccccc4C3)C2)c1 ZINC000012711600 558452668 /nfs/dbraw/zinc/45/26/68/558452668.db2.gz WEVGBHZELZUWHP-QHCPKHFHSA-N 2 1 422.613 4.413 50 0 HIAAMP CCOc1cccc(C[N@@H+](CCOC)C[C@@H]2CCC[NH+](C3Cc4ccccc4C3)C2)c1 ZINC000012711600 558452669 /nfs/dbraw/zinc/45/26/69/558452669.db2.gz WEVGBHZELZUWHP-QHCPKHFHSA-N 2 1 422.613 4.413 50 0 HIAAMP CCOc1cccc(C[NH+](CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012711600 558452672 /nfs/dbraw/zinc/45/26/72/558452672.db2.gz WEVGBHZELZUWHP-QHCPKHFHSA-N 2 1 422.613 4.413 50 0 HIAAMP CCOc1cccc(C[NH+](CCOC)C[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012711600 558452674 /nfs/dbraw/zinc/45/26/74/558452674.db2.gz WEVGBHZELZUWHP-QHCPKHFHSA-N 2 1 422.613 4.413 50 0 HIAAMP COCC[N@H+](Cc1ccccc1OC)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012748539 558458592 /nfs/dbraw/zinc/45/85/92/558458592.db2.gz DGLNSQKUSKHRLD-UHFFFAOYSA-N 2 1 400.538 4.195 50 0 HIAAMP CCCOc1cccc(C(=O)NCCC[N@H+](C)CCC[NH+](C)Cc2ccccc2)c1 ZINC000004664887 558876721 /nfs/dbraw/zinc/87/67/21/558876721.db2.gz ROGJNAULEKEUGJ-UHFFFAOYSA-N 2 1 411.590 4.049 50 0 HIAAMP CCCOc1cccc(C(=O)NCCC[N@@H+](C)CCC[NH+](C)Cc2ccccc2)c1 ZINC000004664887 558876726 /nfs/dbraw/zinc/87/67/26/558876726.db2.gz ROGJNAULEKEUGJ-UHFFFAOYSA-N 2 1 411.590 4.049 50 0 HIAAMP CCCOc1cccc(C(=O)NCCC[NH+](C)CCC[N@H+](C)Cc2ccccc2)c1 ZINC000004664887 558876727 /nfs/dbraw/zinc/87/67/27/558876727.db2.gz ROGJNAULEKEUGJ-UHFFFAOYSA-N 2 1 411.590 4.049 50 0 HIAAMP CCCOc1cccc(C(=O)NCCC[NH+](C)CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000004664887 558876731 /nfs/dbraw/zinc/87/67/31/558876731.db2.gz ROGJNAULEKEUGJ-UHFFFAOYSA-N 2 1 411.590 4.049 50 0 HIAAMP CN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000091643352 559072620 /nfs/dbraw/zinc/07/26/20/559072620.db2.gz PPUFVBYTZIPHNY-DEOSSOPVSA-N 2 1 411.634 4.054 50 0 HIAAMP CN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000091643352 559072621 /nfs/dbraw/zinc/07/26/21/559072621.db2.gz PPUFVBYTZIPHNY-DEOSSOPVSA-N 2 1 411.634 4.054 50 0 HIAAMP CN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000091643351 559072637 /nfs/dbraw/zinc/07/26/37/559072637.db2.gz PPUFVBYTZIPHNY-XMMPIXPASA-N 2 1 411.634 4.054 50 0 HIAAMP CN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000091643351 559072638 /nfs/dbraw/zinc/07/26/38/559072638.db2.gz PPUFVBYTZIPHNY-XMMPIXPASA-N 2 1 411.634 4.054 50 0 HIAAMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc2)C1 ZINC000061142416 559218667 /nfs/dbraw/zinc/21/86/67/559218667.db2.gz NRUMFMLCAIUGMB-OFNKIYASSA-N 2 1 424.589 4.148 50 0 HIAAMP Cc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000011816856 559260385 /nfs/dbraw/zinc/26/03/85/559260385.db2.gz ZSBJLVRGUGVYKB-DEOSSOPVSA-N 2 1 411.565 4.422 50 0 HIAAMP COCC[N@H+](Cc1cc(C)c(C)o1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011840354 559261492 /nfs/dbraw/zinc/26/14/92/559261492.db2.gz RIWULYQCLSHBDQ-UHFFFAOYSA-N 2 1 400.563 4.266 50 0 HIAAMP COC(=O)c1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012714852 845885235 /nfs/dbraw/zinc/88/52/35/845885235.db2.gz GWDHIOCZLKJBLZ-XMMPIXPASA-N 2 1 414.590 4.109 50 0 HIAAMP CC[N@H+](Cc1cccc(OCCO)c1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000014957952 845994800 /nfs/dbraw/zinc/99/48/00/845994800.db2.gz ZCUFIBHTZZXFKH-UHFFFAOYSA-N 2 1 410.602 4.143 50 0 HIAAMP COc1ccccc1C[NH+]1CCC(C[N@H+](Cc2ccc(CO)o2)CC(C)C)CC1 ZINC000014980328 845995672 /nfs/dbraw/zinc/99/56/72/845995672.db2.gz HECRMAALBZFWDS-UHFFFAOYSA-N 2 1 400.563 4.151 50 0 HIAAMP c1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)sc1C[NH+]1CCCC1 ZINC000023361301 846690447 /nfs/dbraw/zinc/69/04/47/846690447.db2.gz OWDYJYBJYKQFRW-QHCPKHFHSA-N 2 1 424.658 4.131 50 0 HIAAMP c1cc(C[NH+]2CCCC2)sc1CN1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000023361301 846690451 /nfs/dbraw/zinc/69/04/51/846690451.db2.gz OWDYJYBJYKQFRW-QHCPKHFHSA-N 2 1 424.658 4.131 50 0 HIAAMP Cc1cccc2cc(C[NH2+]CCc3cccc(F)c3)c(N3CC[N@H+]4CCC[C@H]4C3)nc12 ZINC000248329231 854189703 /nfs/dbraw/zinc/18/97/03/854189703.db2.gz DAGRCJSTBHFJDE-DEOSSOPVSA-N 2 1 418.560 4.299 50 0 HIAAMP CC(C)Oc1ccc(C[NH+]2CCC3(C[N@@H+](C)C[C@H]3c3nnc(C(C)C)o3)CC2)cc1 ZINC000257174384 854232620 /nfs/dbraw/zinc/23/26/20/854232620.db2.gz GGJADLQDKGEJAP-NRFANRHFSA-N 2 1 412.578 4.292 50 0 HIAAMP COCCn1c(C)c[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000575317178 948644654 /nfs/dbraw/zinc/64/46/54/948644654.db2.gz DJJBXSVGBCKEDB-GOSISDBHSA-N 2 1 411.468 4.191 50 0 HIAAMP COCCn1c(C)c[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000575317178 948644661 /nfs/dbraw/zinc/64/46/61/948644661.db2.gz DJJBXSVGBCKEDB-GOSISDBHSA-N 2 1 411.468 4.191 50 0 HIAAMP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H]4C[C@@H]3CCC4)CC2)CC1 ZINC000020540616 525138333 /nfs/dbraw/zinc/13/83/33/525138333.db2.gz BOYNBWVZRBJUDI-BWKNWUBXSA-N 2 1 409.618 4.072 50 0 HIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000011818968 558282194 /nfs/dbraw/zinc/28/21/94/558282194.db2.gz KKMJTFJMNONCSE-QFIPXVFZSA-N 2 1 402.542 4.464 50 0 HIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1 ZINC000011818968 558282196 /nfs/dbraw/zinc/28/21/96/558282196.db2.gz KKMJTFJMNONCSE-QFIPXVFZSA-N 2 1 402.542 4.464 50 0 HIAAMP CC(C)[NH+]1CCC(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)CC1 ZINC000011935036 558299235 /nfs/dbraw/zinc/29/92/35/558299235.db2.gz OVILWPNISHCPFT-VWLOTQADSA-N 2 1 403.655 4.392 50 0 HIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2[nH]c3ccc(C)cc3c2C)CC1 ZINC000012074012 558318843 /nfs/dbraw/zinc/31/88/43/558318843.db2.gz OUJICUPNIZKXJC-JOCHJYFZSA-N 2 1 424.633 4.377 50 0 HIAAMP COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000020454132 558368084 /nfs/dbraw/zinc/36/80/84/558368084.db2.gz BCGRJZJAJGFDOF-FQEVSTJZSA-N 2 1 404.558 4.322 50 0 HIAAMP COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000020454132 558368085 /nfs/dbraw/zinc/36/80/85/558368085.db2.gz BCGRJZJAJGFDOF-FQEVSTJZSA-N 2 1 404.558 4.322 50 0 HIAAMP COc1cccc(-c2nn(-c3ccccc3)cc2C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000020454132 558368086 /nfs/dbraw/zinc/36/80/86/558368086.db2.gz BCGRJZJAJGFDOF-FQEVSTJZSA-N 2 1 404.558 4.322 50 0 HIAAMP COc1cccc(-c2nn(-c3ccccc3)cc2C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000020454132 558368087 /nfs/dbraw/zinc/36/80/87/558368087.db2.gz BCGRJZJAJGFDOF-FQEVSTJZSA-N 2 1 404.558 4.322 50 0 HIAAMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cc1OC ZINC000012441083 558412045 /nfs/dbraw/zinc/41/20/45/558412045.db2.gz WCRABKVSJIARSP-NRFANRHFSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cc1OC ZINC000012441083 558412046 /nfs/dbraw/zinc/41/20/46/558412046.db2.gz WCRABKVSJIARSP-NRFANRHFSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc1OC ZINC000012441083 558412050 /nfs/dbraw/zinc/41/20/50/558412050.db2.gz WCRABKVSJIARSP-NRFANRHFSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cc1OC ZINC000012441083 558412053 /nfs/dbraw/zinc/41/20/53/558412053.db2.gz WCRABKVSJIARSP-NRFANRHFSA-N 2 1 400.538 4.229 50 0 HIAAMP CCc1ccc(C[N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)o1 ZINC000012456833 558417526 /nfs/dbraw/zinc/41/75/26/558417526.db2.gz PJEGWOSLOMFUSE-UHFFFAOYSA-N 2 1 400.563 4.211 50 0 HIAAMP CCCn1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000012711397 558452718 /nfs/dbraw/zinc/45/27/18/558452718.db2.gz WYYJHSSROOWZPR-DEOSSOPVSA-N 2 1 402.627 4.237 50 0 HIAAMP Cc1ccccc1C[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012716499 558455406 /nfs/dbraw/zinc/45/54/06/558455406.db2.gz CZHSDDFPHJLLQV-VWLOTQADSA-N 2 1 404.554 4.157 50 0 HIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000014972064 558687873 /nfs/dbraw/zinc/68/78/73/558687873.db2.gz YFIYTHQHGPNAMJ-NRFANRHFSA-N 2 1 403.636 4.001 50 0 HIAAMP C[N@@H+](CCCn1cccn1)C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000015074197 558715156 /nfs/dbraw/zinc/71/51/56/558715156.db2.gz ZODQHVYLUBVBCI-HXUWFJFHSA-N 2 1 408.512 4.179 50 0 HIAAMP C[NH+](CCCn1cccn1)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000015074197 558715159 /nfs/dbraw/zinc/71/51/59/558715159.db2.gz ZODQHVYLUBVBCI-HXUWFJFHSA-N 2 1 408.512 4.179 50 0 HIAAMP C[NH+](CCCn1cccn1)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000015074197 558715161 /nfs/dbraw/zinc/71/51/61/558715161.db2.gz ZODQHVYLUBVBCI-HXUWFJFHSA-N 2 1 408.512 4.179 50 0 HIAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnn(C)c2)Cc2cccnc2)CC1 ZINC000055154407 558874479 /nfs/dbraw/zinc/87/44/79/558874479.db2.gz GSJURLMKVBHUPU-UHFFFAOYSA-N 2 1 403.574 4.038 50 0 HIAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cnn(C)c2)Cc2cccnc2)CC1 ZINC000055154407 558874480 /nfs/dbraw/zinc/87/44/80/558874480.db2.gz GSJURLMKVBHUPU-UHFFFAOYSA-N 2 1 403.574 4.038 50 0 HIAAMP Cc1cc(N2CCC3(CCC[N@@H+]3Cc3cnc(N(C)C)nc3)CC2)c2ccccc2[nH+]1 ZINC000072447417 558982628 /nfs/dbraw/zinc/98/26/28/558982628.db2.gz LQPXYTJOGALHBH-UHFFFAOYSA-N 2 1 416.573 4.034 50 0 HIAAMP COCc1ncc(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)cn1 ZINC000072454027 558982804 /nfs/dbraw/zinc/98/28/04/558982804.db2.gz MGRSGYIJOWZKDS-UHFFFAOYSA-N 2 1 417.557 4.115 50 0 HIAAMP COCC[N@H+](Cc1cccc(C(C)=O)c1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011951549 559269109 /nfs/dbraw/zinc/26/91/09/559269109.db2.gz ZIEOGNGXSBAJBQ-UHFFFAOYSA-N 2 1 412.549 4.389 50 0 HIAAMP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1OC ZINC000047778184 568431300 /nfs/dbraw/zinc/43/13/00/568431300.db2.gz ZXLRCTJXPOCDSK-OALUTQOASA-N 2 1 412.574 4.480 50 0 HIAAMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ccnc(O[C@H]5CCOC5)c4)[C@H]3C2)cc1 ZINC000252539714 569293213 /nfs/dbraw/zinc/29/32/13/569293213.db2.gz OKLILQZBYPVCSW-QORCZRPOSA-N 2 1 421.585 4.030 50 0 HIAAMP Cc1c(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)[nH]c2c1cccc2C ZINC000011813383 845836478 /nfs/dbraw/zinc/83/64/78/845836478.db2.gz ZKLGSBKHDVEKDH-NRFANRHFSA-N 2 1 424.633 4.330 50 0 HIAAMP Fc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1F ZINC000012184261 845857996 /nfs/dbraw/zinc/85/79/96/845857996.db2.gz XUXKWXMWRCHLLR-SFHVURJKSA-N 2 1 418.557 4.322 50 0 HIAAMP Fc1ccc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1F ZINC000012184261 845857998 /nfs/dbraw/zinc/85/79/98/845857998.db2.gz XUXKWXMWRCHLLR-SFHVURJKSA-N 2 1 418.557 4.322 50 0 HIAAMP CC[N@@H+](Cc1ccncc1)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012308239 845867094 /nfs/dbraw/zinc/86/70/94/845867094.db2.gz MCNKDPHYQQZDLF-XMMPIXPASA-N 2 1 411.590 4.108 50 0 HIAAMP CC[NH+](Cc1ccncc1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012308239 845867095 /nfs/dbraw/zinc/86/70/95/845867095.db2.gz MCNKDPHYQQZDLF-XMMPIXPASA-N 2 1 411.590 4.108 50 0 HIAAMP CC[NH+](Cc1ccncc1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012308239 845867099 /nfs/dbraw/zinc/86/70/99/845867099.db2.gz MCNKDPHYQQZDLF-XMMPIXPASA-N 2 1 411.590 4.108 50 0 HIAAMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC000012315144 845867392 /nfs/dbraw/zinc/86/73/92/845867392.db2.gz AXGKBJCJMIPPCY-UHFFFAOYSA-N 2 1 408.546 4.331 50 0 HIAAMP Cc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)oc1C ZINC000012431826 845870252 /nfs/dbraw/zinc/87/02/52/845870252.db2.gz VUBQILGVBXLZGK-DEOSSOPVSA-N 2 1 423.601 4.233 50 0 HIAAMP Cc1cc(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)oc1C ZINC000012431826 845870260 /nfs/dbraw/zinc/87/02/60/845870260.db2.gz VUBQILGVBXLZGK-DEOSSOPVSA-N 2 1 423.601 4.233 50 0 HIAAMP CC(C)Oc1ccccc1C[NH+]1CCC2(C[N@@H+](C)C[C@H]2c2nnc(C(C)C)o2)CC1 ZINC000257178258 854233206 /nfs/dbraw/zinc/23/32/06/854233206.db2.gz ZRAFLEUFGYOVCY-FQEVSTJZSA-N 2 1 412.578 4.292 50 0 HIAAMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Br)c1OCc1ccccc1C ZINC000040719987 522447741 /nfs/dbraw/zinc/44/77/41/522447741.db2.gz DRVBQUDVHNNZLT-UHFFFAOYSA-N 2 1 421.379 4.386 50 0 HIAAMP COc1cc(/C=C/C[N@@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)ccc1O ZINC000011814895 558278970 /nfs/dbraw/zinc/27/89/70/558278970.db2.gz RUABRPAONACXAU-ONEGZZNKSA-N 2 1 412.549 4.440 50 0 HIAAMP Cc1ccc(C[NH2+]Cc2ccccc2OC[C@@H](O)C[N@H+](C)C2CCCCC2)s1 ZINC000012192345 558348120 /nfs/dbraw/zinc/34/81/20/558348120.db2.gz WDEYYECDJJRNGE-NRFANRHFSA-N 2 1 402.604 4.351 50 0 HIAAMP CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)c1 ZINC000012206878 558353091 /nfs/dbraw/zinc/35/30/91/558353091.db2.gz BPFZJKQSGWDIEV-JOCHJYFZSA-N 2 1 416.525 4.234 50 0 HIAAMP CC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)c1 ZINC000012206878 558353092 /nfs/dbraw/zinc/35/30/92/558353092.db2.gz BPFZJKQSGWDIEV-JOCHJYFZSA-N 2 1 416.525 4.234 50 0 HIAAMP Cc1ccc(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)s1 ZINC000012386816 558395572 /nfs/dbraw/zinc/39/55/72/558395572.db2.gz KIOZBYVLXYRGBK-QFIPXVFZSA-N 2 1 410.583 4.218 50 0 HIAAMP C[NH2+]CCC[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873900 558418325 /nfs/dbraw/zinc/41/83/25/558418325.db2.gz FSIWHFUEZCNDQE-UHFFFAOYSA-N 2 1 407.352 4.044 50 0 HIAAMP C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000020906880 558420948 /nfs/dbraw/zinc/42/09/48/558420948.db2.gz CSESYZOTKFTLMT-UHFFFAOYSA-N 2 1 418.541 4.149 50 0 HIAAMP Cc1cccc(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)c1 ZINC000012582170 558432765 /nfs/dbraw/zinc/43/27/65/558432765.db2.gz FSTJGPPFERGLKQ-VWLOTQADSA-N 2 1 404.554 4.157 50 0 HIAAMP CC1=C(CC[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)C(C)(C)CCC1 ZINC000023145522 558538331 /nfs/dbraw/zinc/53/83/31/558538331.db2.gz QWEWZMIMMQAGFB-QHCPKHFHSA-N 2 1 405.671 4.145 50 0 HIAAMP O=C(CC[C@H]1CCC[N@H+](Cc2ccsc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015064660 558707530 /nfs/dbraw/zinc/70/75/30/558707530.db2.gz NWGUWXVIWIMIOX-JOCHJYFZSA-N 2 1 411.615 4.085 50 0 HIAAMP O=C(CC[C@H]1CCC[N@@H+](Cc2ccsc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015064660 558707532 /nfs/dbraw/zinc/70/75/32/558707532.db2.gz NWGUWXVIWIMIOX-JOCHJYFZSA-N 2 1 411.615 4.085 50 0 HIAAMP Cc1ccccc1C[N@@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020207353 558346735 /nfs/dbraw/zinc/34/67/35/558346735.db2.gz YQENGNNQUJNFNI-VWLOTQADSA-N 2 1 419.613 4.332 50 0 HIAAMP Cc1ccccc1C[N@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020207353 558346738 /nfs/dbraw/zinc/34/67/38/558346738.db2.gz YQENGNNQUJNFNI-VWLOTQADSA-N 2 1 419.613 4.332 50 0 HIAAMP COc1ccc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1O ZINC000012387826 558396708 /nfs/dbraw/zinc/39/67/08/558396708.db2.gz YPKHPGPBPDSCTF-UHFFFAOYSA-N 2 1 409.574 4.453 50 0 HIAAMP CCOc1ccc(C[N@H+](CCOC)C[C@H]2CCC[NH+](C3Cc4ccccc4C3)C2)cc1 ZINC000055100071 558872278 /nfs/dbraw/zinc/87/22/78/558872278.db2.gz DLGBYQUVPKNUON-HSZRJFAPSA-N 2 1 422.613 4.413 50 0 HIAAMP CCOc1ccc(C[N@@H+](CCOC)C[C@H]2CCC[NH+](C3Cc4ccccc4C3)C2)cc1 ZINC000055100071 558872280 /nfs/dbraw/zinc/87/22/80/558872280.db2.gz DLGBYQUVPKNUON-HSZRJFAPSA-N 2 1 422.613 4.413 50 0 HIAAMP CCOc1ccc(C[NH+](CCOC)C[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000055100071 558872284 /nfs/dbraw/zinc/87/22/84/558872284.db2.gz DLGBYQUVPKNUON-HSZRJFAPSA-N 2 1 422.613 4.413 50 0 HIAAMP CCOc1ccc(C[NH+](CCOC)C[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000055100071 558872287 /nfs/dbraw/zinc/87/22/87/558872287.db2.gz DLGBYQUVPKNUON-HSZRJFAPSA-N 2 1 422.613 4.413 50 0 HIAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1)C1CC[NH+](C)CC1 ZINC000011998853 845846588 /nfs/dbraw/zinc/84/65/88/845846588.db2.gz KMLKKXPQPZPSRZ-IBGZPJMESA-N 2 1 413.631 4.446 50 0 HIAAMP Cc1nnc([C@H]2CC3(C[N@H+]2CCc2ccccc2)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257187859 854233926 /nfs/dbraw/zinc/23/39/26/854233926.db2.gz COABDNARIUPWSG-HSZRJFAPSA-N 2 1 417.557 4.045 50 0 HIAAMP OCC[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000040720892 527554169 /nfs/dbraw/zinc/55/41/69/527554169.db2.gz JPZUGIRZFQGNFK-UHFFFAOYSA-N 2 1 417.764 4.287 50 0 HIAAMP CCCCc1ncc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000011819884 558282973 /nfs/dbraw/zinc/28/29/73/558282973.db2.gz FDEFMMWCKBGRJT-QHCPKHFHSA-N 2 1 402.627 4.388 50 0 HIAAMP CCCCc1nc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c[nH]1 ZINC000011819884 558282975 /nfs/dbraw/zinc/28/29/75/558282975.db2.gz FDEFMMWCKBGRJT-QHCPKHFHSA-N 2 1 402.627 4.388 50 0 HIAAMP CCCCc1nc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c[nH]1 ZINC000011819884 558282977 /nfs/dbraw/zinc/28/29/77/558282977.db2.gz FDEFMMWCKBGRJT-QHCPKHFHSA-N 2 1 402.627 4.388 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878174 558292386 /nfs/dbraw/zinc/29/23/86/558292386.db2.gz QKMQASYYKPFYCV-DEOSSOPVSA-N 2 1 418.585 4.267 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878174 558292388 /nfs/dbraw/zinc/29/23/88/558292388.db2.gz QKMQASYYKPFYCV-DEOSSOPVSA-N 2 1 418.585 4.267 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878174 558292391 /nfs/dbraw/zinc/29/23/91/558292391.db2.gz QKMQASYYKPFYCV-DEOSSOPVSA-N 2 1 418.585 4.267 50 0 HIAAMP COc1ccc(OC)c(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c1 ZINC000012210566 558354071 /nfs/dbraw/zinc/35/40/71/558354071.db2.gz BPONTIGBGLCLCD-UHFFFAOYSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCn2cc[nH+]c2C)c(F)c1 ZINC000012429432 558404184 /nfs/dbraw/zinc/40/41/84/558404184.db2.gz MQXXXYUMVMZQMF-UHFFFAOYSA-N 2 1 419.504 4.324 50 0 HIAAMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCn2cc[nH+]c2C)c(F)c1 ZINC000012429432 558404187 /nfs/dbraw/zinc/40/41/87/558404187.db2.gz MQXXXYUMVMZQMF-UHFFFAOYSA-N 2 1 419.504 4.324 50 0 HIAAMP Cc1ccccc1C[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012716494 558455505 /nfs/dbraw/zinc/45/55/05/558455505.db2.gz CZHSDDFPHJLLQV-RUZDIDTESA-N 2 1 404.554 4.157 50 0 HIAAMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000005831046 568825110 /nfs/dbraw/zinc/82/51/10/568825110.db2.gz HUGDWXCEORTDQI-XMMPIXPASA-N 2 1 410.602 4.286 50 0 HIAAMP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C[C@H]1CCOC(C)(C)C1 ZINC000012597082 568869162 /nfs/dbraw/zinc/86/91/62/568869162.db2.gz ZQEMWEJHHDKESY-QFIPXVFZSA-N 2 1 418.622 4.061 50 0 HIAAMP C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCC([NH+]5CCCCC5)CC4)[C@H]3C=C12 ZINC000012882167 569404392 /nfs/dbraw/zinc/40/43/92/569404392.db2.gz JHZIHHYUBZAJMF-OUDZHVFCSA-N 2 1 400.607 4.251 50 0 HIAAMP Cc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000011937891 845841847 /nfs/dbraw/zinc/84/18/47/845841847.db2.gz RYAAUYNJUPVZPJ-HHHXNRCGSA-N 2 1 419.613 4.250 50 0 HIAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH+](C)CC1 ZINC000012593875 845878587 /nfs/dbraw/zinc/87/85/87/845878587.db2.gz ABAQRSBNZMHZJL-KRWDZBQOSA-N 2 1 409.977 4.024 50 0 HIAAMP Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000055073314 849966396 /nfs/dbraw/zinc/96/63/96/849966396.db2.gz MRQAWYAWDMCYML-UHFFFAOYSA-N 2 1 417.488 4.297 50 0 HIAAMP O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1Cc1ccccc1)[C@@H]23)N1CCCC1 ZINC000257196364 854235016 /nfs/dbraw/zinc/23/50/16/854235016.db2.gz YCBOEWYILPGZFZ-WSKLTFMVSA-N 2 1 409.618 4.154 50 0 HIAAMP O=C(CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@@H+]1Cc1ccccc1)[C@@H]23)N1CCCC1 ZINC000257196364 854235023 /nfs/dbraw/zinc/23/50/23/854235023.db2.gz YCBOEWYILPGZFZ-WSKLTFMVSA-N 2 1 409.618 4.154 50 0 HIAAMP O=C(CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@H+]1Cc1ccccc1)[C@@H]23)N1CCCC1 ZINC000257196364 854235030 /nfs/dbraw/zinc/23/50/30/854235030.db2.gz YCBOEWYILPGZFZ-WSKLTFMVSA-N 2 1 409.618 4.154 50 0 HIAAMP CN1CCC([NH+]2CCC(C[N@@H+](CCCC(F)(F)F)Cc3ccncc3)CC2)CC1 ZINC000011820676 558284012 /nfs/dbraw/zinc/28/40/12/558284012.db2.gz MWLPTOQNVIKVBR-UHFFFAOYSA-N 2 1 412.544 4.032 50 0 HIAAMP C[NH+]1CCC([NH+]2CCC(C[N@H+](CCCC(F)(F)F)Cc3ccncc3)CC2)CC1 ZINC000011820676 558284015 /nfs/dbraw/zinc/28/40/15/558284015.db2.gz MWLPTOQNVIKVBR-UHFFFAOYSA-N 3 1 412.544 4.032 50 0 HIAAMP C[NH+]1CCC([NH+]2CCC(C[N@@H+](CCCC(F)(F)F)Cc3ccncc3)CC2)CC1 ZINC000011820676 558284017 /nfs/dbraw/zinc/28/40/17/558284017.db2.gz MWLPTOQNVIKVBR-UHFFFAOYSA-N 3 1 412.544 4.032 50 0 HIAAMP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878212 558292605 /nfs/dbraw/zinc/29/26/05/558292605.db2.gz YZOJMGVLTXSPDK-NRFANRHFSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878212 558292608 /nfs/dbraw/zinc/29/26/08/558292608.db2.gz YZOJMGVLTXSPDK-NRFANRHFSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878212 558292611 /nfs/dbraw/zinc/29/26/11/558292611.db2.gz YZOJMGVLTXSPDK-NRFANRHFSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878212 558292613 /nfs/dbraw/zinc/29/26/13/558292613.db2.gz YZOJMGVLTXSPDK-NRFANRHFSA-N 2 1 412.574 4.099 50 0 HIAAMP Cn1c2ccccc2nc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012298069 558368124 /nfs/dbraw/zinc/36/81/24/558368124.db2.gz WWOXUUAFLMBYHZ-QFIPXVFZSA-N 2 1 410.606 4.209 50 0 HIAAMP CCn1cc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCC[N@H+]3CC)CC2)c2ccccc21 ZINC000012318809 558381783 /nfs/dbraw/zinc/38/17/83/558381783.db2.gz MLCWGYDIRHLNNU-QHCPKHFHSA-N 2 1 424.633 4.254 50 0 HIAAMP O=C(c1cccs1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012581033 558432628 /nfs/dbraw/zinc/43/26/28/558432628.db2.gz YSYYPLSAORDLNY-HXUWFJFHSA-N 2 1 403.636 4.331 50 0 HIAAMP Cc1nn(C)c(Cl)c1C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000014981169 558691578 /nfs/dbraw/zinc/69/15/78/558691578.db2.gz AJTUOCJLDNRKRH-HXUWFJFHSA-N 2 1 409.018 4.018 50 0 HIAAMP Cc1nn(C)c(Cl)c1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000014981169 558691582 /nfs/dbraw/zinc/69/15/82/558691582.db2.gz AJTUOCJLDNRKRH-HXUWFJFHSA-N 2 1 409.018 4.018 50 0 HIAAMP C[N@H+](C[C@@H](O)COc1cccc(C[NH2+]Cc2c(F)cccc2F)c1)C1CCCCC1 ZINC000015071657 558713218 /nfs/dbraw/zinc/71/32/18/558713218.db2.gz PGBQUNUGLIJDOY-HXUWFJFHSA-N 2 1 418.528 4.259 50 0 HIAAMP C[N@@H+](C[C@@H](O)COc1cccc(C[NH2+]Cc2c(F)cccc2F)c1)C1CCCCC1 ZINC000015071657 558713221 /nfs/dbraw/zinc/71/32/21/558713221.db2.gz PGBQUNUGLIJDOY-HXUWFJFHSA-N 2 1 418.528 4.259 50 0 HIAAMP C[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C1CCCCC1 ZINC000015376743 558736291 /nfs/dbraw/zinc/73/62/91/558736291.db2.gz MYDAFEAKPLCCJM-UHFFFAOYSA-N 2 1 420.601 4.212 50 0 HIAAMP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccccc2OC)C[C@@]1(C)CO ZINC000095525061 559085965 /nfs/dbraw/zinc/08/59/65/559085965.db2.gz JZAGVURUBAQWNO-OIBXWCBGSA-N 2 1 402.966 4.272 50 0 HIAAMP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccccc2OC)C[C@@]1(C)CO ZINC000095525061 559085967 /nfs/dbraw/zinc/08/59/67/559085967.db2.gz JZAGVURUBAQWNO-OIBXWCBGSA-N 2 1 402.966 4.272 50 0 HIAAMP COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@H+](C)[C@H]4C)c1O)[C@H](C)N(C)CC2 ZINC000245240399 568736074 /nfs/dbraw/zinc/73/60/74/568736074.db2.gz PWFLHIQSZMYWPN-GJZGRUSLSA-N 2 1 412.530 4.300 50 0 HIAAMP COc1cc2c(c(Oc3cc4c(cc3OC)CCN(C)[C@H]4C)c1O)[C@H](C)N(C)CC2 ZINC000245240399 568736076 /nfs/dbraw/zinc/73/60/76/568736076.db2.gz PWFLHIQSZMYWPN-GJZGRUSLSA-N 2 1 412.530 4.300 50 0 HIAAMP O=C(Nc1cccc(N2CCC([NH2+]CC3([NH+]4CCCCC4)CCCC3)CC2)c1)C1CC1 ZINC000299778938 568875017 /nfs/dbraw/zinc/87/50/17/568875017.db2.gz IWLULAMHUILFJY-UHFFFAOYSA-N 2 1 424.633 4.392 50 0 HIAAMP Cc1cnccc1C[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000011661454 845823031 /nfs/dbraw/zinc/82/30/31/845823031.db2.gz LJKWUHZWJJNQKJ-XMMPIXPASA-N 2 1 411.590 4.026 50 0 HIAAMP Cc1cnccc1C[NH+](C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000011661454 845823035 /nfs/dbraw/zinc/82/30/35/845823035.db2.gz LJKWUHZWJJNQKJ-XMMPIXPASA-N 2 1 411.590 4.026 50 0 HIAAMP Cc1cnccc1C[NH+](C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000011661454 845823039 /nfs/dbraw/zinc/82/30/39/845823039.db2.gz LJKWUHZWJJNQKJ-XMMPIXPASA-N 2 1 411.590 4.026 50 0 HIAAMP CCc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)o1 ZINC000011843864 845837897 /nfs/dbraw/zinc/83/78/97/845837897.db2.gz GWMHITXUWTZADL-QHCPKHFHSA-N 2 1 423.601 4.179 50 0 HIAAMP CCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)o1 ZINC000011843864 845837901 /nfs/dbraw/zinc/83/79/01/845837901.db2.gz GWMHITXUWTZADL-QHCPKHFHSA-N 2 1 423.601 4.179 50 0 HIAAMP COCC[N@H+](Cc1cccc(C(C)=O)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012193820 845858737 /nfs/dbraw/zinc/85/87/37/845858737.db2.gz IXNMXRNWIWESFD-UHFFFAOYSA-N 2 1 424.585 4.258 50 0 HIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2c(C)n(C)c3ccccc23)CC1 ZINC000012320227 845868353 /nfs/dbraw/zinc/86/83/53/845868353.db2.gz PHNSGHBMUCOADO-QFIPXVFZSA-N 2 1 424.633 4.079 50 0 HIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000012453933 845872480 /nfs/dbraw/zinc/87/24/80/845872480.db2.gz YYHQQFFCYHMLMX-NRFANRHFSA-N 2 1 413.631 4.494 50 0 HIAAMP C[N@@H+](Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1)C(C1CC1)C1CC1 ZINC000012759546 845889341 /nfs/dbraw/zinc/88/93/41/845889341.db2.gz OFCFDEHTULXKCX-VWLOTQADSA-N 2 1 420.597 4.105 50 0 HIAAMP C[NH+](Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1)C(C1CC1)C1CC1 ZINC000012759546 845889343 /nfs/dbraw/zinc/88/93/43/845889343.db2.gz OFCFDEHTULXKCX-VWLOTQADSA-N 2 1 420.597 4.105 50 0 HIAAMP C[NH+](Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1)C(C1CC1)C1CC1 ZINC000012759546 845889350 /nfs/dbraw/zinc/88/93/50/845889350.db2.gz OFCFDEHTULXKCX-VWLOTQADSA-N 2 1 420.597 4.105 50 0 HIAAMP C[N@@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1)Cc1ccnc2ccccc12 ZINC000013636576 845917407 /nfs/dbraw/zinc/91/74/07/845917407.db2.gz BWXVQCRKPHRWFP-QHCPKHFHSA-N 2 1 419.569 4.092 50 0 HIAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000040720598 521997239 /nfs/dbraw/zinc/99/72/39/521997239.db2.gz PMMGKISZPDDFKE-UHFFFAOYSA-N 2 1 401.309 4.419 50 0 HIAAMP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cccn3-c3nccs3)C2)cc1 ZINC000020540520 523948769 /nfs/dbraw/zinc/94/87/69/523948769.db2.gz OYSYPWFNKAZTSN-OAQYLSRUSA-N 2 1 424.614 4.329 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cccn3-c3nccs3)C2)cc1 ZINC000020540520 523948772 /nfs/dbraw/zinc/94/87/72/523948772.db2.gz OYSYPWFNKAZTSN-OAQYLSRUSA-N 2 1 424.614 4.329 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cccn3-c3nccs3)C2)cc1 ZINC000020540520 523948779 /nfs/dbraw/zinc/94/87/79/523948779.db2.gz OYSYPWFNKAZTSN-OAQYLSRUSA-N 2 1 424.614 4.329 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cccn3-c3nccs3)C2)cc1 ZINC000020540520 523948781 /nfs/dbraw/zinc/94/87/81/523948781.db2.gz OYSYPWFNKAZTSN-OAQYLSRUSA-N 2 1 424.614 4.329 50 0 HIAAMP OCC[NH2+]CCC[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040720774 527553812 /nfs/dbraw/zinc/55/38/12/527553812.db2.gz MTNBYPRZNQPKJA-UHFFFAOYSA-N 2 1 416.924 4.273 50 0 HIAAMP C[N@@H+](C[C@@H](O)COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1)C1CCCCC1 ZINC000011814830 558278965 /nfs/dbraw/zinc/27/89/65/558278965.db2.gz JQDOZRMJVOELKK-XMMPIXPASA-N 2 1 414.565 4.162 50 0 HIAAMP Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000011873357 558291197 /nfs/dbraw/zinc/29/11/97/558291197.db2.gz WKYMHFKKLVLEIC-INIZCTEOSA-N 2 1 403.954 4.236 50 0 HIAAMP C[N@H+](Cc1cccn1-c1nccs1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012094242 558325082 /nfs/dbraw/zinc/32/50/82/558325082.db2.gz UYSOJSIBFWFIQT-UHFFFAOYSA-N 2 1 412.578 4.459 50 0 HIAAMP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209574 558347221 /nfs/dbraw/zinc/34/72/21/558347221.db2.gz OWJHANGNMOJGFX-QFIPXVFZSA-N 2 1 418.585 4.472 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209574 558347223 /nfs/dbraw/zinc/34/72/23/558347223.db2.gz OWJHANGNMOJGFX-QFIPXVFZSA-N 2 1 418.585 4.472 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209574 558347225 /nfs/dbraw/zinc/34/72/25/558347225.db2.gz OWJHANGNMOJGFX-QFIPXVFZSA-N 2 1 418.585 4.472 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209574 558347227 /nfs/dbraw/zinc/34/72/27/558347227.db2.gz OWJHANGNMOJGFX-QFIPXVFZSA-N 2 1 418.585 4.472 50 0 HIAAMP COc1ccc(CC[N@H+](Cc2cccn2-c2ccccn2)CC2CC[NH+](C)CC2)cc1 ZINC000012436361 558409094 /nfs/dbraw/zinc/40/90/94/558409094.db2.gz LABUFTHEMQKXOH-UHFFFAOYSA-N 2 1 418.585 4.267 50 0 HIAAMP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccc(OC)cc2)C[C@@]1(C)CO ZINC000012581264 558432608 /nfs/dbraw/zinc/43/26/08/558432608.db2.gz LFNWIZVGFIWYKW-OIBXWCBGSA-N 2 1 402.966 4.272 50 0 HIAAMP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccc(OC)cc2)C[C@@]1(C)CO ZINC000012581264 558432610 /nfs/dbraw/zinc/43/26/10/558432610.db2.gz LFNWIZVGFIWYKW-OIBXWCBGSA-N 2 1 402.966 4.272 50 0 HIAAMP CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)cc1CO ZINC000012711599 558452753 /nfs/dbraw/zinc/45/27/53/558452753.db2.gz VEUPSVIUFRUMNQ-NRFANRHFSA-N 2 1 414.565 4.103 50 0 HIAAMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)cc1CO ZINC000012711599 558452756 /nfs/dbraw/zinc/45/27/56/558452756.db2.gz VEUPSVIUFRUMNQ-NRFANRHFSA-N 2 1 414.565 4.103 50 0 HIAAMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1CO ZINC000012711599 558452757 /nfs/dbraw/zinc/45/27/57/558452757.db2.gz VEUPSVIUFRUMNQ-NRFANRHFSA-N 2 1 414.565 4.103 50 0 HIAAMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc1CO ZINC000012711599 558452760 /nfs/dbraw/zinc/45/27/60/558452760.db2.gz VEUPSVIUFRUMNQ-NRFANRHFSA-N 2 1 414.565 4.103 50 0 HIAAMP Cc1ncc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000022925769 558523262 /nfs/dbraw/zinc/52/32/62/558523262.db2.gz ISMVFGRJHQUPSD-NRFANRHFSA-N 2 1 404.668 4.394 50 0 HIAAMP O=C(/C=C/c1ccco1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014969127 558686920 /nfs/dbraw/zinc/68/69/20/558686920.db2.gz RISNANCGNDEBDH-GNNUASRNSA-N 2 1 413.606 4.262 50 0 HIAAMP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000058296854 558917087 /nfs/dbraw/zinc/91/70/87/558917087.db2.gz VYWOVHAJQHFSEJ-UHFFFAOYSA-N 2 1 407.558 4.062 50 0 HIAAMP C[N@@H+]1CCCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000008485661 571055532 /nfs/dbraw/zinc/05/55/32/571055532.db2.gz XNGKNEOQLKZYRP-UHFFFAOYSA-N 2 1 421.614 4.486 50 0 HIAAMP C[N@H+]1CCCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000008485661 571055536 /nfs/dbraw/zinc/05/55/36/571055536.db2.gz XNGKNEOQLKZYRP-UHFFFAOYSA-N 2 1 421.614 4.486 50 0 HIAAMP COCC[N@@H+](Cc1ccc(OC)c(C)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012585445 845877538 /nfs/dbraw/zinc/87/75/38/845877538.db2.gz APKZKSYCHKLABJ-QHCPKHFHSA-N 2 1 422.613 4.331 50 0 HIAAMP COCC[N@H+](Cc1ccc(OC)c(C)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012585445 845877545 /nfs/dbraw/zinc/87/75/45/845877545.db2.gz APKZKSYCHKLABJ-QHCPKHFHSA-N 2 1 422.613 4.331 50 0 HIAAMP COCC[NH+](Cc1ccc(OC)c(C)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012585445 845877550 /nfs/dbraw/zinc/87/75/50/845877550.db2.gz APKZKSYCHKLABJ-QHCPKHFHSA-N 2 1 422.613 4.331 50 0 HIAAMP COCC[NH+](Cc1ccc(OC)c(C)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012585445 845877552 /nfs/dbraw/zinc/87/75/52/845877552.db2.gz APKZKSYCHKLABJ-QHCPKHFHSA-N 2 1 422.613 4.331 50 0 HIAAMP CCN(Cc1ccccc1)C(=O)CCC[C@H]1[NH2+]C[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000257196033 854234823 /nfs/dbraw/zinc/23/48/23/854234823.db2.gz XKFALYLTXULTLW-KKUQBAQOSA-N 2 1 419.613 4.316 50 0 HIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccc(O)c(Cl)c3)CC2)cc1 ZINC000011842053 558287419 /nfs/dbraw/zinc/28/74/19/558287419.db2.gz VQBFZFUDSQTSFS-UHFFFAOYSA-N 2 1 402.966 4.441 50 0 HIAAMP COc1ccc(F)c(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012373014 558390618 /nfs/dbraw/zinc/39/06/18/558390618.db2.gz LRYANYRAFJBVBY-QHCPKHFHSA-N 2 1 404.570 4.470 50 0 HIAAMP CC[N@@H+](Cc1ccc(COC)o1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012437974 558409771 /nfs/dbraw/zinc/40/97/71/558409771.db2.gz UWMUJBJTRBEKHA-OAQYLSRUSA-N 2 1 400.563 4.211 50 0 HIAAMP CC[N@H+](Cc1ccc(COC)o1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012437974 558409773 /nfs/dbraw/zinc/40/97/73/558409773.db2.gz UWMUJBJTRBEKHA-OAQYLSRUSA-N 2 1 400.563 4.211 50 0 HIAAMP CC[NH+](Cc1ccc(COC)o1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012437974 558409774 /nfs/dbraw/zinc/40/97/74/558409774.db2.gz UWMUJBJTRBEKHA-OAQYLSRUSA-N 2 1 400.563 4.211 50 0 HIAAMP CC[NH+](Cc1ccc(COC)o1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012437974 558409776 /nfs/dbraw/zinc/40/97/76/558409776.db2.gz UWMUJBJTRBEKHA-OAQYLSRUSA-N 2 1 400.563 4.211 50 0 HIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3c(OC)cccc3OC)CC2)cc1 ZINC000012593414 558436570 /nfs/dbraw/zinc/43/65/70/558436570.db2.gz HHIMNGUBZHPRDS-UHFFFAOYSA-N 2 1 412.574 4.099 50 0 HIAAMP Cc1occc1C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014971749 558687490 /nfs/dbraw/zinc/68/74/90/558687490.db2.gz ZWEYGQJTVUWFLA-OAQYLSRUSA-N 2 1 401.595 4.171 50 0 HIAAMP O=C(CC[C@@H]1CCC[N@H+](Cc2ccsc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015064659 558707478 /nfs/dbraw/zinc/70/74/78/558707478.db2.gz NWGUWXVIWIMIOX-QFIPXVFZSA-N 2 1 411.615 4.085 50 0 HIAAMP O=C(CC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015064659 558707479 /nfs/dbraw/zinc/70/74/79/558707479.db2.gz NWGUWXVIWIMIOX-QFIPXVFZSA-N 2 1 411.615 4.085 50 0 HIAAMP CC(C)c1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000004700291 558907776 /nfs/dbraw/zinc/90/77/76/558907776.db2.gz MOFMAJJBWQMPMW-UHFFFAOYSA-N 2 1 419.613 4.366 50 0 HIAAMP CN1CC[NH+](CCc2ccc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3(C)C)cc2)CC1 ZINC000095992568 568677878 /nfs/dbraw/zinc/67/78/78/568677878.db2.gz IBHDWMCBTNUVKR-SANMLTNESA-N 2 1 420.645 4.332 50 0 HIAAMP C[NH+]1CCN(CCc2ccc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3(C)C)cc2)CC1 ZINC000095992568 568677880 /nfs/dbraw/zinc/67/78/80/568677880.db2.gz IBHDWMCBTNUVKR-SANMLTNESA-N 2 1 420.645 4.332 50 0 HIAAMP C[NH+]1CCN(CCc2ccc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3(C)C)cc2)CC1 ZINC000095992568 568677881 /nfs/dbraw/zinc/67/78/81/568677881.db2.gz IBHDWMCBTNUVKR-SANMLTNESA-N 2 1 420.645 4.332 50 0 HIAAMP COc1ccc(CC[N@H+](Cc2ccc(-n3cccn3)cc2)CC2CC[NH+](C)CC2)cc1 ZINC000011844032 845837855 /nfs/dbraw/zinc/83/78/55/845837855.db2.gz XILGLFCAJNDJLS-UHFFFAOYSA-N 2 1 418.585 4.267 50 0 HIAAMP COc1ccc(C[N@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)c2ccccc12 ZINC000012039438 845849393 /nfs/dbraw/zinc/84/93/93/845849393.db2.gz WAMNOGAFGFJECX-SANMLTNESA-N 2 1 420.553 4.012 50 0 HIAAMP COc1cc(C[N@H+](C)Cc2ccccc2Cl)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012094439 845853225 /nfs/dbraw/zinc/85/32/25/845853225.db2.gz ZDURQBIHZMSMEJ-FQEVSTJZSA-N 2 1 420.981 4.061 50 0 HIAAMP COc1cc(C[N@@H+](C)Cc2ccccc2Cl)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000012094439 845853230 /nfs/dbraw/zinc/85/32/30/845853230.db2.gz ZDURQBIHZMSMEJ-FQEVSTJZSA-N 2 1 420.981 4.061 50 0 HIAAMP COc1cc(C[NH+](C)Cc2ccccc2Cl)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012094439 845853234 /nfs/dbraw/zinc/85/32/34/845853234.db2.gz ZDURQBIHZMSMEJ-FQEVSTJZSA-N 2 1 420.981 4.061 50 0 HIAAMP COc1cc(C[NH+](C)Cc2ccccc2Cl)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012094439 845853240 /nfs/dbraw/zinc/85/32/40/845853240.db2.gz ZDURQBIHZMSMEJ-FQEVSTJZSA-N 2 1 420.981 4.061 50 0 HIAAMP C[N@@H+](Cc1ccccc1OC[C@H](O)C[NH+]1CCc2ccccc2C1)C(C1CC1)C1CC1 ZINC000019228947 846360342 /nfs/dbraw/zinc/36/03/42/846360342.db2.gz UVDSIRRLJPLJQW-RUZDIDTESA-N 2 1 420.597 4.105 50 0 HIAAMP C[NH+](Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1)C(C1CC1)C1CC1 ZINC000019228947 846360348 /nfs/dbraw/zinc/36/03/48/846360348.db2.gz UVDSIRRLJPLJQW-RUZDIDTESA-N 2 1 420.597 4.105 50 0 HIAAMP C[NH+](Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1)C(C1CC1)C1CC1 ZINC000019228947 846360356 /nfs/dbraw/zinc/36/03/56/846360356.db2.gz UVDSIRRLJPLJQW-RUZDIDTESA-N 2 1 420.597 4.105 50 0 HIAAMP CC(C)Oc1ccccc1C[NH+]1CCC2(C[N@@H+](C)C[C@@H]2c2nnc(C(C)C)o2)CC1 ZINC000257178260 854233230 /nfs/dbraw/zinc/23/32/30/854233230.db2.gz ZRAFLEUFGYOVCY-HXUWFJFHSA-N 2 1 412.578 4.292 50 0 HIAAMP CC(C)Cc1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]n1 ZINC000011819473 558282600 /nfs/dbraw/zinc/28/26/00/558282600.db2.gz FTMNZZCUTNAZFC-XMMPIXPASA-N 2 1 402.627 4.244 50 0 HIAAMP COc1ccc(-n2ccnc2C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC000012429512 558404493 /nfs/dbraw/zinc/40/44/93/558404493.db2.gz MDMUWRNGXBQQHN-UHFFFAOYSA-N 2 1 408.546 4.126 50 0 HIAAMP CCn1ccnc1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012446691 558414278 /nfs/dbraw/zinc/41/42/78/558414278.db2.gz QLZITJNDTBHYIJ-DEOSSOPVSA-N 2 1 410.606 4.105 50 0 HIAAMP CCn1ccnc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012446691 558414281 /nfs/dbraw/zinc/41/42/81/558414281.db2.gz QLZITJNDTBHYIJ-DEOSSOPVSA-N 2 1 410.606 4.105 50 0 HIAAMP O=C(c1cccs1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012581038 558432699 /nfs/dbraw/zinc/43/26/99/558432699.db2.gz YSYYPLSAORDLNY-FQEVSTJZSA-N 2 1 403.636 4.331 50 0 HIAAMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc2)C1 ZINC000230114681 568847501 /nfs/dbraw/zinc/84/75/01/568847501.db2.gz NRUMFMLCAIUGMB-NFBKMPQASA-N 2 1 424.589 4.148 50 0 HIAAMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ccnc(O[C@@H]5CCOC5)c4)[C@@H]3C2)cc1 ZINC000252539708 569293209 /nfs/dbraw/zinc/29/32/09/569293209.db2.gz OKLILQZBYPVCSW-LIONHTAISA-N 2 1 421.585 4.030 50 0 HIAAMP Cc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000011937890 845842117 /nfs/dbraw/zinc/84/21/17/845842117.db2.gz RYAAUYNJUPVZPJ-MHZLTWQESA-N 2 1 419.613 4.250 50 0 HIAAMP CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000012474703 845873105 /nfs/dbraw/zinc/87/31/05/845873105.db2.gz COVIINQURZVAGK-UHFFFAOYSA-N 2 1 406.998 4.401 50 0 HIAAMP CCn1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000012466063 845873548 /nfs/dbraw/zinc/87/35/48/845873548.db2.gz HAFDOKYGNYAMSX-VWLOTQADSA-N 2 1 410.606 4.105 50 0 HIAAMP CCn1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000012466067 845873634 /nfs/dbraw/zinc/87/36/34/845873634.db2.gz HAFDOKYGNYAMSX-RUZDIDTESA-N 2 1 410.606 4.105 50 0 HIAAMP Cc1cccc2cc(C[NH2+]CCc3cccc(F)c3)c(N3CC[N@H+]4CCC[C@@H]4C3)nc12 ZINC000015002792 845998846 /nfs/dbraw/zinc/99/88/46/845998846.db2.gz DAGRCJSTBHFJDE-XMMPIXPASA-N 2 1 418.560 4.299 50 0 HIAAMP c1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)sc1C[NH+]1CCCC1 ZINC000023361299 846688682 /nfs/dbraw/zinc/68/86/82/846688682.db2.gz OWDYJYBJYKQFRW-HSZRJFAPSA-N 2 1 424.658 4.131 50 0 HIAAMP c1cc(C[NH+]2CCCC2)sc1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000023361299 846688690 /nfs/dbraw/zinc/68/86/90/846688690.db2.gz OWDYJYBJYKQFRW-HSZRJFAPSA-N 2 1 424.658 4.131 50 0 HIAAMP COCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000575317188 948644356 /nfs/dbraw/zinc/64/43/56/948644356.db2.gz DJJBXSVGBCKEDB-SFHVURJKSA-N 2 1 411.468 4.191 50 0 HIAAMP COCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000575317188 948644365 /nfs/dbraw/zinc/64/43/65/948644365.db2.gz DJJBXSVGBCKEDB-SFHVURJKSA-N 2 1 411.468 4.191 50 0 HIAAMP c1cncc(C[N@H+](Cc2ccc3nonc3c2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000011821684 558284738 /nfs/dbraw/zinc/28/47/38/558284738.db2.gz LZCKPEBRUNHOFG-UHFFFAOYSA-N 2 1 405.546 4.275 50 0 HIAAMP C[N@@H+](Cc1cccn1-c1ncccn1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011842535 558287690 /nfs/dbraw/zinc/28/76/90/558287690.db2.gz DQEAZIKXOQCWBC-OAQYLSRUSA-N 2 1 423.992 4.307 50 0 HIAAMP C[N@H+](Cc1cccn1-c1ncccn1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011842535 558287692 /nfs/dbraw/zinc/28/76/92/558287692.db2.gz DQEAZIKXOQCWBC-OAQYLSRUSA-N 2 1 423.992 4.307 50 0 HIAAMP C[NH+](Cc1cccn1-c1ncccn1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011842535 558287694 /nfs/dbraw/zinc/28/76/94/558287694.db2.gz DQEAZIKXOQCWBC-OAQYLSRUSA-N 2 1 423.992 4.307 50 0 HIAAMP C[NH+](Cc1cccn1-c1ncccn1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011842535 558287696 /nfs/dbraw/zinc/28/76/96/558287696.db2.gz DQEAZIKXOQCWBC-OAQYLSRUSA-N 2 1 423.992 4.307 50 0 HIAAMP CCn1cc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCC[N@H+]3CC)CC2)c2ccccc21 ZINC000012318805 558381496 /nfs/dbraw/zinc/38/14/96/558381496.db2.gz MLCWGYDIRHLNNU-HSZRJFAPSA-N 2 1 424.633 4.254 50 0 HIAAMP CCc1ccc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000012447926 558415229 /nfs/dbraw/zinc/41/52/29/558415229.db2.gz NMUBKESEDOIYCP-UHFFFAOYSA-N 2 1 410.606 4.045 50 0 HIAAMP COCc1ccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)o1 ZINC000020877902 558419712 /nfs/dbraw/zinc/41/97/12/558419712.db2.gz VRAFUDIFISRQAZ-JOCHJYFZSA-N 2 1 417.638 4.369 50 0 HIAAMP Cc1occc1C(=O)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014971753 558687538 /nfs/dbraw/zinc/68/75/38/558687538.db2.gz ZWEYGQJTVUWFLA-NRFANRHFSA-N 2 1 401.595 4.171 50 0 HIAAMP Cc1nn(C)c(Cl)c1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000014981167 558691744 /nfs/dbraw/zinc/69/17/44/558691744.db2.gz AJTUOCJLDNRKRH-FQEVSTJZSA-N 2 1 409.018 4.018 50 0 HIAAMP Cc1nn(C)c(Cl)c1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000014981167 558691746 /nfs/dbraw/zinc/69/17/46/558691746.db2.gz AJTUOCJLDNRKRH-FQEVSTJZSA-N 2 1 409.018 4.018 50 0 HIAAMP O=C(CC[C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015077445 558717195 /nfs/dbraw/zinc/71/71/95/558717195.db2.gz DJQBMYYNMRACEK-AREMUKBSSA-N 2 1 419.613 4.066 50 0 HIAAMP O=C(CC[C@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015077445 558717197 /nfs/dbraw/zinc/71/71/97/558717197.db2.gz DJQBMYYNMRACEK-AREMUKBSSA-N 2 1 419.613 4.066 50 0 HIAAMP Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082138540 559040502 /nfs/dbraw/zinc/04/05/02/559040502.db2.gz MRFFDFQYWWITLN-VWLOTQADSA-N 2 1 419.613 4.030 50 0 HIAAMP Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082138540 559040503 /nfs/dbraw/zinc/04/05/03/559040503.db2.gz MRFFDFQYWWITLN-VWLOTQADSA-N 2 1 419.613 4.030 50 0 HIAAMP Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)C1 ZINC000670455446 568930757 /nfs/dbraw/zinc/93/07/57/568930757.db2.gz WBVTWGCWNFSJLJ-OAQYLSRUSA-N 2 1 409.574 4.039 50 0 HIAAMP CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000004086592 568940592 /nfs/dbraw/zinc/94/05/92/568940592.db2.gz TWRBLIVZRCVSOS-AFFJLAOCSA-N 2 1 400.607 4.395 50 0 biogenic HIAAMP O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012980726 569046360 /nfs/dbraw/zinc/04/63/60/569046360.db2.gz GYLAMDLZXUIPRA-VWLOTQADSA-N 2 1 419.594 4.208 50 0 HIAAMP COc1ccc(C[N@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c2ccccc12 ZINC000012039440 845849558 /nfs/dbraw/zinc/84/95/58/845849558.db2.gz WAMNOGAFGFJECX-AREMUKBSSA-N 2 1 420.553 4.012 50 0 HIAAMP Cc1[nH+]ccn1CC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000012317219 845866924 /nfs/dbraw/zinc/86/69/24/845866924.db2.gz YJAFTRMZCSLCQR-UHFFFAOYSA-N 2 1 422.617 4.226 50 0 HIAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2ccc(CO)o2)Cc2cccnc2)CC1 ZINC000011667856 558269836 /nfs/dbraw/zinc/26/98/36/558269836.db2.gz HKHOAYNBSDTMCO-UHFFFAOYSA-N 2 1 419.569 4.390 50 0 HIAAMP C[N@@H+](Cc1ccccc1OCCO)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011843126 558288319 /nfs/dbraw/zinc/28/83/19/558288319.db2.gz MSZGFHZFGMOLRF-OAQYLSRUSA-N 2 1 416.993 4.098 50 0 HIAAMP C[N@H+](Cc1ccccc1OCCO)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011843126 558288322 /nfs/dbraw/zinc/28/83/22/558288322.db2.gz MSZGFHZFGMOLRF-OAQYLSRUSA-N 2 1 416.993 4.098 50 0 HIAAMP C[NH+](Cc1ccccc1OCCO)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011843126 558288325 /nfs/dbraw/zinc/28/83/25/558288325.db2.gz MSZGFHZFGMOLRF-OAQYLSRUSA-N 2 1 416.993 4.098 50 0 HIAAMP C[NH+](Cc1ccccc1OCCO)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011843126 558288328 /nfs/dbraw/zinc/28/83/28/558288328.db2.gz MSZGFHZFGMOLRF-OAQYLSRUSA-N 2 1 416.993 4.098 50 0 HIAAMP Cc1ccc(C[NH+](C)Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)o1 ZINC000011997743 558307283 /nfs/dbraw/zinc/30/72/83/558307283.db2.gz MRVWJWWZOXIDKV-QHCPKHFHSA-N 2 1 408.542 4.092 50 0 HIAAMP Cc1ccc(C[N@@H+](C)Cc2ccc(OC[C@@H](O)C[NH+](C)Cc3ccccc3)cc2)o1 ZINC000011997743 558307284 /nfs/dbraw/zinc/30/72/84/558307284.db2.gz MRVWJWWZOXIDKV-QHCPKHFHSA-N 2 1 408.542 4.092 50 0 HIAAMP Cc1ccc(C[N@H+](C)Cc2ccc(OC[C@@H](O)C[NH+](C)Cc3ccccc3)cc2)o1 ZINC000011997743 558307285 /nfs/dbraw/zinc/30/72/85/558307285.db2.gz MRVWJWWZOXIDKV-QHCPKHFHSA-N 2 1 408.542 4.092 50 0 HIAAMP CC[N@H+](Cc1cccn1-c1ncccn1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012073673 558318707 /nfs/dbraw/zinc/31/87/07/558318707.db2.gz SWPSUROHPMWXQM-UHFFFAOYSA-N 2 1 417.601 4.352 50 0 HIAAMP C[N@H+](Cc1cc(=O)c2ccccc2[nH]1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012318249 558381341 /nfs/dbraw/zinc/38/13/41/558381341.db2.gz VMCRVRYVBUVJAI-UHFFFAOYSA-N 2 1 407.533 4.466 50 0 HIAAMP COc1ccc(F)c(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012373015 558390689 /nfs/dbraw/zinc/39/06/89/558390689.db2.gz LRYANYRAFJBVBY-HSZRJFAPSA-N 2 1 404.570 4.470 50 0 HIAAMP Cc1ccc(C[NH2+]Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)s1 ZINC000012386815 558395537 /nfs/dbraw/zinc/39/55/37/558395537.db2.gz KIOZBYVLXYRGBK-JOCHJYFZSA-N 2 1 410.583 4.218 50 0 HIAAMP O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012712481 558453254 /nfs/dbraw/zinc/45/32/54/558453254.db2.gz MHUJYIJVELJSLS-QHCPKHFHSA-N 2 1 423.576 4.162 50 0 HIAAMP O=C(CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012712481 558453257 /nfs/dbraw/zinc/45/32/57/558453257.db2.gz MHUJYIJVELJSLS-QHCPKHFHSA-N 2 1 423.576 4.162 50 0 HIAAMP CC1=C(CC[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)C(C)(C)CCC1 ZINC000022853372 558517346 /nfs/dbraw/zinc/51/73/46/558517346.db2.gz QWEWZMIMMQAGFB-HSZRJFAPSA-N 2 1 405.671 4.145 50 0 HIAAMP C[NH+](Cc1ccc(F)cc1)Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000014955117 558682225 /nfs/dbraw/zinc/68/22/25/558682225.db2.gz VZOKEQMUMMCKDI-VWLOTQADSA-N 2 1 422.544 4.329 50 0 HIAAMP C[NH+](Cc1ccccc1)C[C@H](O)COc1ccc(C[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000014955117 558682228 /nfs/dbraw/zinc/68/22/28/558682228.db2.gz VZOKEQMUMMCKDI-VWLOTQADSA-N 2 1 422.544 4.329 50 0 HIAAMP C[NH+](Cc1ccccc1)C[C@H](O)COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000014955117 558682230 /nfs/dbraw/zinc/68/22/30/558682230.db2.gz VZOKEQMUMMCKDI-VWLOTQADSA-N 2 1 422.544 4.329 50 0 HIAAMP CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055182669 558875093 /nfs/dbraw/zinc/87/50/93/558875093.db2.gz WGTOKSTYOXVGFL-XMMPIXPASA-N 2 1 423.601 4.430 50 0 HIAAMP CC[NH+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055182669 558875096 /nfs/dbraw/zinc/87/50/96/558875096.db2.gz WGTOKSTYOXVGFL-XMMPIXPASA-N 2 1 423.601 4.430 50 0 HIAAMP CC[NH+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055182669 558875099 /nfs/dbraw/zinc/87/50/99/558875099.db2.gz WGTOKSTYOXVGFL-XMMPIXPASA-N 2 1 423.601 4.430 50 0 HIAAMP O=C(C[N@H+]1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1 ZINC000058061425 558897363 /nfs/dbraw/zinc/89/73/63/558897363.db2.gz BPQHQHVEMDVQCF-QHCPKHFHSA-N 2 1 413.512 4.280 50 0 HIAAMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]Cc4ccnc(O[C@H]5CCOC5)c4)[C@@H]3C2)cc1 ZINC000252539705 559278364 /nfs/dbraw/zinc/27/83/64/559278364.db2.gz OKLILQZBYPVCSW-JBXUNAHCSA-N 2 1 421.585 4.030 50 0 HIAAMP CC1=C2C[C@@H]3[C@H](C[NH+]4CCC([NH+]5CCCCC5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012885494 569019104 /nfs/dbraw/zinc/01/91/04/569019104.db2.gz TWRBLIVZRCVSOS-SWXWDQRWSA-N 2 1 400.607 4.395 50 0 HIAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000011842299 845837869 /nfs/dbraw/zinc/83/78/69/845837869.db2.gz UIMALFHAPLLYAC-QGZVFWFLSA-N 2 1 409.977 4.024 50 0 HIAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000011842298 845838135 /nfs/dbraw/zinc/83/81/35/845838135.db2.gz UIMALFHAPLLYAC-KRWDZBQOSA-N 2 1 409.977 4.024 50 0 HIAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1)C1CC[NH+](C)CC1 ZINC000011998857 845846466 /nfs/dbraw/zinc/84/64/66/845846466.db2.gz KMLKKXPQPZPSRZ-LJQANCHMSA-N 2 1 413.631 4.446 50 0 HIAAMP CCc1ccc(C[NH+]2CCC(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000012373772 845868342 /nfs/dbraw/zinc/86/83/42/845868342.db2.gz IJGLEDYHLNBEJG-QHCPKHFHSA-N 2 1 423.601 4.225 50 0 HIAAMP COCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1OC(C)C)Cc1ccccc1O2 ZINC000257187092 854233897 /nfs/dbraw/zinc/23/38/97/854233897.db2.gz LHNNTHUINCFOGO-UHFFFAOYSA-N 2 1 424.585 4.349 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817255 558280676 /nfs/dbraw/zinc/28/06/76/558280676.db2.gz PKHZGEUENIKUKH-HSZRJFAPSA-N 2 1 409.574 4.040 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817255 558280677 /nfs/dbraw/zinc/28/06/77/558280677.db2.gz PKHZGEUENIKUKH-HSZRJFAPSA-N 2 1 409.574 4.040 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817255 558280680 /nfs/dbraw/zinc/28/06/80/558280680.db2.gz PKHZGEUENIKUKH-HSZRJFAPSA-N 2 1 409.574 4.040 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878175 558292523 /nfs/dbraw/zinc/29/25/23/558292523.db2.gz QKMQASYYKPFYCV-XMMPIXPASA-N 2 1 418.585 4.267 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878175 558292527 /nfs/dbraw/zinc/29/25/27/558292527.db2.gz QKMQASYYKPFYCV-XMMPIXPASA-N 2 1 418.585 4.267 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878175 558292531 /nfs/dbraw/zinc/29/25/31/558292531.db2.gz QKMQASYYKPFYCV-XMMPIXPASA-N 2 1 418.585 4.267 50 0 HIAAMP COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3ccc(C[NH+]4CCCC4)s3)C2)c1 ZINC000020905743 558420812 /nfs/dbraw/zinc/42/08/12/558420812.db2.gz MMCFHQLVJPMDDL-XMMPIXPASA-N 2 1 414.615 4.170 50 0 HIAAMP Oc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000012468889 558421250 /nfs/dbraw/zinc/42/12/50/558421250.db2.gz TZBHUTCVEKGOIN-DEOSSOPVSA-N 2 1 412.549 4.425 50 0 HIAAMP C[N@@H+](C[C@H](O)COc1cccc(C[NH2+]Cc2ccccc2F)c1)C1CCCCC1 ZINC000012701262 558447737 /nfs/dbraw/zinc/44/77/37/558447737.db2.gz AALAZQLTDYDKNQ-QFIPXVFZSA-N 2 1 400.538 4.120 50 0 HIAAMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013736453 558588650 /nfs/dbraw/zinc/58/86/50/558588650.db2.gz YDXDTMPQTIRUAQ-UHFFFAOYSA-N 2 1 402.130 4.171 50 0 HIAAMP COc1cc(C[N@@H+](C)CCC(C)C)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000015079311 558718445 /nfs/dbraw/zinc/71/84/45/558718445.db2.gz TVRIXAWSJGNZLL-JOCHJYFZSA-N 2 1 406.611 4.177 50 0 HIAAMP COc1cc(C[NH+](C)CCC(C)C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000015079311 558718447 /nfs/dbraw/zinc/71/84/47/558718447.db2.gz TVRIXAWSJGNZLL-JOCHJYFZSA-N 2 1 406.611 4.177 50 0 HIAAMP COc1cc(C[NH+](C)CCC(C)C)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000015079311 558718449 /nfs/dbraw/zinc/71/84/49/558718449.db2.gz TVRIXAWSJGNZLL-JOCHJYFZSA-N 2 1 406.611 4.177 50 0 HIAAMP Cc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000011816857 559260405 /nfs/dbraw/zinc/26/04/05/559260405.db2.gz ZSBJLVRGUGVYKB-XMMPIXPASA-N 2 1 411.565 4.422 50 0 HIAAMP C[N@H+](CCC(=O)Nc1ccccc1Cl)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000095458243 568619035 /nfs/dbraw/zinc/61/90/35/568619035.db2.gz IHNXMQFUQWYWOA-UHFFFAOYSA-N 2 1 400.954 4.302 50 0 HIAAMP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C[C@@H]1CCOC(C)(C)C1 ZINC000012597078 568869111 /nfs/dbraw/zinc/86/91/11/568869111.db2.gz ZQEMWEJHHDKESY-JOCHJYFZSA-N 2 1 418.622 4.061 50 0 HIAAMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1 ZINC000012054246 845851346 /nfs/dbraw/zinc/85/13/46/845851346.db2.gz ACJZAHYZAFLZJN-QHCPKHFHSA-N 2 1 413.650 4.430 50 0 HIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2c(C)n(C)c3ccccc23)CC1 ZINC000012320224 845868473 /nfs/dbraw/zinc/86/84/73/845868473.db2.gz PHNSGHBMUCOADO-JOCHJYFZSA-N 2 1 424.633 4.079 50 0 HIAAMP CCc1ccc(C[NH+]2CCC(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000012373771 845868496 /nfs/dbraw/zinc/86/84/96/845868496.db2.gz IJGLEDYHLNBEJG-HSZRJFAPSA-N 2 1 423.601 4.225 50 0 HIAAMP CC(C)=CC[N@@H+]1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000299759048 854280941 /nfs/dbraw/zinc/28/09/41/854280941.db2.gz MZBDEJLWJODHKQ-UHFFFAOYSA-N 2 1 407.558 4.286 50 0 HIAAMP CC(C)=CC[N@H+]1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000299759048 854280946 /nfs/dbraw/zinc/28/09/46/854280946.db2.gz MZBDEJLWJODHKQ-UHFFFAOYSA-N 2 1 407.558 4.286 50 0 HIAAMP CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000019720670 558259084 /nfs/dbraw/zinc/25/90/84/558259084.db2.gz XPCDCSADDXHTLW-NRFANRHFSA-N 2 1 412.599 4.444 50 0 HIAAMP CCCCc1ncc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000011819885 558282951 /nfs/dbraw/zinc/28/29/51/558282951.db2.gz FDEFMMWCKBGRJT-HSZRJFAPSA-N 2 1 402.627 4.388 50 0 HIAAMP CCCCc1nc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c[nH]1 ZINC000011819885 558282953 /nfs/dbraw/zinc/28/29/53/558282953.db2.gz FDEFMMWCKBGRJT-HSZRJFAPSA-N 2 1 402.627 4.388 50 0 HIAAMP CCCCc1nc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c[nH]1 ZINC000011819885 558282955 /nfs/dbraw/zinc/28/29/55/558282955.db2.gz FDEFMMWCKBGRJT-HSZRJFAPSA-N 2 1 402.627 4.388 50 0 HIAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3sc4ccccc4c3Cl)C2)CC1 ZINC000011844090 558288866 /nfs/dbraw/zinc/28/88/66/558288866.db2.gz GXLXCIVCODYYFW-QGZVFWFLSA-N 2 1 420.022 4.321 50 0 HIAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3sc4ccccc4c3Cl)C2)CC1 ZINC000011844090 558288870 /nfs/dbraw/zinc/28/88/70/558288870.db2.gz GXLXCIVCODYYFW-QGZVFWFLSA-N 2 1 420.022 4.321 50 0 HIAAMP Cc1c(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c2ccccc2n1C ZINC000011934340 558298614 /nfs/dbraw/zinc/29/86/14/558298614.db2.gz TVHACCXRIFSJOA-NRFANRHFSA-N 2 1 424.633 4.032 50 0 HIAAMP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1 ZINC000012073513 558318417 /nfs/dbraw/zinc/31/84/17/558318417.db2.gz CDGPDOSBQGQUKQ-VWLOTQADSA-N 2 1 422.544 4.030 50 0 HIAAMP COc1ccc(CC[N@H+](Cc2cc(=O)c3ccccc3[nH]2)CC2CC[NH+](C)CC2)cc1 ZINC000012315671 558379154 /nfs/dbraw/zinc/37/91/54/558379154.db2.gz BFQRAVNRMZEZLG-UHFFFAOYSA-N 2 1 419.569 4.336 50 0 HIAAMP CC(C)[N@H+]1CCC[C@H](C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC000012477897 558423114 /nfs/dbraw/zinc/42/31/14/558423114.db2.gz GTYCTHARFAQNQZ-QFIPXVFZSA-N 2 1 420.041 4.173 50 0 HIAAMP COc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1OC ZINC000012576741 558430915 /nfs/dbraw/zinc/43/09/15/558430915.db2.gz SRTLGOIHMRKSDN-QHCPKHFHSA-N 2 1 416.606 4.339 50 0 HIAAMP C[N@H+](Cc1cccn1-c1cccnc1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012449545 558663540 /nfs/dbraw/zinc/66/35/40/558663540.db2.gz ZNNSTFZYCBMIHJ-UHFFFAOYSA-N 2 1 406.549 4.398 50 0 HIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000015065586 558708635 /nfs/dbraw/zinc/70/86/35/558708635.db2.gz WNOYQYHWPHCECZ-UHFFFAOYSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1cc(C[N@@H+](C)CCC(C)C)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000015079310 558718191 /nfs/dbraw/zinc/71/81/91/558718191.db2.gz TVRIXAWSJGNZLL-QFIPXVFZSA-N 2 1 406.611 4.177 50 0 HIAAMP COc1cc(C[NH+](C)CCC(C)C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000015079310 558718194 /nfs/dbraw/zinc/71/81/94/558718194.db2.gz TVRIXAWSJGNZLL-QFIPXVFZSA-N 2 1 406.611 4.177 50 0 HIAAMP COc1cc(C[NH+](C)CCC(C)C)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000015079310 558718197 /nfs/dbraw/zinc/71/81/97/558718197.db2.gz TVRIXAWSJGNZLL-QFIPXVFZSA-N 2 1 406.611 4.177 50 0 HIAAMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2)C1 ZINC000230068522 568805791 /nfs/dbraw/zinc/80/57/91/568805791.db2.gz JOTUMZQZYDQGNL-GHTZIAJQSA-N 2 1 414.619 4.082 50 0 HIAAMP C[NH+]1CCC(N2CC[N@@H+](Cc3cccc4c5ccccc5sc43)C[C@H]2CCO)CC1 ZINC000104524219 569008832 /nfs/dbraw/zinc/00/88/32/569008832.db2.gz NNUZFYUESKQPDN-OAQYLSRUSA-N 2 1 423.626 4.017 50 0 HIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccc(OC(C)C)c(CO)c3)CC2)o1 ZINC000012456422 845872593 /nfs/dbraw/zinc/87/25/93/845872593.db2.gz XTYLQYZNCSIPTJ-UHFFFAOYSA-N 2 1 400.563 4.212 50 0 HIAAMP CCOc1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1O ZINC000015075295 846006810 /nfs/dbraw/zinc/00/68/10/846006810.db2.gz CEPLZMPCLRCCDS-QHCPKHFHSA-N 2 1 416.606 4.427 50 0 HIAAMP CN(C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000020914605 846394767 /nfs/dbraw/zinc/39/47/67/846394767.db2.gz SVQNZGNDCLMEGY-AREMUKBSSA-N 2 1 406.618 4.075 50 0 HIAAMP CN(C1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000020914605 846394780 /nfs/dbraw/zinc/39/47/80/846394780.db2.gz SVQNZGNDCLMEGY-AREMUKBSSA-N 2 1 406.618 4.075 50 0 HIAAMP OCC[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040720898 527552706 /nfs/dbraw/zinc/55/27/06/527552706.db2.gz GSRJDBLYPSVESB-UHFFFAOYSA-N 2 1 417.764 4.287 50 0 HIAAMP CC[NH+](CC)CCN1c2ccccc2[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1=N ZINC000003880250 557502438 /nfs/dbraw/zinc/50/24/38/557502438.db2.gz WARFEGRZQXZDJF-UHFFFAOYSA-N 2 1 408.590 4.050 50 0 HIAAMP CC[NH+](CC)CCN1c2ccccc2[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1=N ZINC000003880250 557502440 /nfs/dbraw/zinc/50/24/40/557502440.db2.gz WARFEGRZQXZDJF-UHFFFAOYSA-N 2 1 408.590 4.050 50 0 HIAAMP C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000004725547 557587281 /nfs/dbraw/zinc/58/72/81/557587281.db2.gz UVOJUNHNGQFBQG-BSYVCWPDSA-N 2 1 417.597 4.146 50 0 HIAAMP CC[N@H+](Cc1cnc(-c2ccccc2C)nc1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000011817190 558280338 /nfs/dbraw/zinc/28/03/38/558280338.db2.gz IXEOVVADVVUBJY-UHFFFAOYSA-N 2 1 421.633 4.080 50 0 HIAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3sc4ccccc4c3Cl)C2)CC1 ZINC000011844089 558288829 /nfs/dbraw/zinc/28/88/29/558288829.db2.gz GXLXCIVCODYYFW-KRWDZBQOSA-N 2 1 420.022 4.321 50 0 HIAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+](Cc3sc4ccccc4c3Cl)C2)CC1 ZINC000011844089 558288832 /nfs/dbraw/zinc/28/88/32/558288832.db2.gz GXLXCIVCODYYFW-KRWDZBQOSA-N 2 1 420.022 4.321 50 0 HIAAMP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878213 558292492 /nfs/dbraw/zinc/29/24/92/558292492.db2.gz YZOJMGVLTXSPDK-OAQYLSRUSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878213 558292494 /nfs/dbraw/zinc/29/24/94/558292494.db2.gz YZOJMGVLTXSPDK-OAQYLSRUSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878213 558292497 /nfs/dbraw/zinc/29/24/97/558292497.db2.gz YZOJMGVLTXSPDK-OAQYLSRUSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878213 558292501 /nfs/dbraw/zinc/29/25/01/558292501.db2.gz YZOJMGVLTXSPDK-OAQYLSRUSA-N 2 1 412.574 4.099 50 0 HIAAMP CC(C)[NH+]1CCC(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)CC1 ZINC000011935035 558299178 /nfs/dbraw/zinc/29/91/78/558299178.db2.gz OVILWPNISHCPFT-RUZDIDTESA-N 2 1 403.655 4.392 50 0 HIAAMP C[N@H+](Cc1ccc(-n2cccn2)cc1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012030819 558311208 /nfs/dbraw/zinc/31/12/08/558311208.db2.gz KCVFSUQTPWWCOE-UHFFFAOYSA-N 2 1 406.549 4.398 50 0 HIAAMP Cc1ccccc1C[N@H+](Cc1ccncc1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000020201892 558345981 /nfs/dbraw/zinc/34/59/81/558345981.db2.gz XSPYSOUQHSMSOW-UHFFFAOYSA-N 2 1 406.618 4.198 50 0 HIAAMP CCCOc1c(Br)cc(C[NH2+]CCC[NH+](C)C)cc1Br ZINC000020967563 558424866 /nfs/dbraw/zinc/42/48/66/558424866.db2.gz PHWUIZYSPVFQMN-UHFFFAOYSA-N 2 1 408.178 4.042 50 0 HIAAMP O=C(CC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015077442 558717110 /nfs/dbraw/zinc/71/71/10/558717110.db2.gz DJQBMYYNMRACEK-SANMLTNESA-N 2 1 419.613 4.066 50 0 HIAAMP O=C(CC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015077442 558717112 /nfs/dbraw/zinc/71/71/12/558717112.db2.gz DJQBMYYNMRACEK-SANMLTNESA-N 2 1 419.613 4.066 50 0 HIAAMP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000055100154 558872532 /nfs/dbraw/zinc/87/25/32/558872532.db2.gz WYBXFRSISJFJKN-NRFANRHFSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000055100154 558872535 /nfs/dbraw/zinc/87/25/35/558872535.db2.gz WYBXFRSISJFJKN-NRFANRHFSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000055100154 558872537 /nfs/dbraw/zinc/87/25/37/558872537.db2.gz WYBXFRSISJFJKN-NRFANRHFSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000055100154 558872540 /nfs/dbraw/zinc/87/25/40/558872540.db2.gz WYBXFRSISJFJKN-NRFANRHFSA-N 2 1 400.538 4.229 50 0 HIAAMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(F)cc1Cl ZINC000095458245 568618960 /nfs/dbraw/zinc/61/89/60/568618960.db2.gz ZIQMMWGMIUCRGE-UHFFFAOYSA-N 2 1 404.917 4.051 50 0 HIAAMP Cc1cccc(N2CCC([NH2+][C@H](C)C[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000095972258 568671832 /nfs/dbraw/zinc/67/18/32/568671832.db2.gz CSVJAVPREICFQF-QUCCMNQESA-N 2 1 402.583 4.127 50 0 HIAAMP CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)C2([NH+]3CCCCC3)CCCCC2)C1 ZINC000011938224 845842163 /nfs/dbraw/zinc/84/21/63/845842163.db2.gz KWDIRFMKOFAEPJ-HSZRJFAPSA-N 2 1 412.622 4.083 50 0 HIAAMP COc1ccc(C[NH2+]Cc2cccc3ccccc32)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012057278 845850887 /nfs/dbraw/zinc/85/08/87/845850887.db2.gz GPODTEDHBROAMS-HSZRJFAPSA-N 2 1 422.569 4.218 50 0 HIAAMP C[N@H+](Cc1ccc(OCCO)cc1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000012298458 845865642 /nfs/dbraw/zinc/86/56/42/845865642.db2.gz IXDXDXQWJKJMMA-QFIPXVFZSA-N 2 1 416.993 4.098 50 0 HIAAMP C[NH+](Cc1ccc(OCCO)cc1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012298458 845865648 /nfs/dbraw/zinc/86/56/48/845865648.db2.gz IXDXDXQWJKJMMA-QFIPXVFZSA-N 2 1 416.993 4.098 50 0 HIAAMP C[NH+](Cc1ccc(OCCO)cc1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012298458 845865651 /nfs/dbraw/zinc/86/56/51/845865651.db2.gz IXDXDXQWJKJMMA-QFIPXVFZSA-N 2 1 416.993 4.098 50 0 HIAAMP C[N@@H+](Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1)Cc1cccc2cnccc21 ZINC000012439650 845871583 /nfs/dbraw/zinc/87/15/83/845871583.db2.gz LITGYBPBLBFSHO-XMMPIXPASA-N 2 1 419.569 4.092 50 0 HIAAMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073779 846006671 /nfs/dbraw/zinc/00/66/71/846006671.db2.gz VVGZHUASJOKTFH-FQEVSTJZSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073779 846006676 /nfs/dbraw/zinc/00/66/76/846006676.db2.gz VVGZHUASJOKTFH-FQEVSTJZSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073779 846006679 /nfs/dbraw/zinc/00/66/79/846006679.db2.gz VVGZHUASJOKTFH-FQEVSTJZSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073779 846006682 /nfs/dbraw/zinc/00/66/82/846006682.db2.gz VVGZHUASJOKTFH-FQEVSTJZSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073780 846006859 /nfs/dbraw/zinc/00/68/59/846006859.db2.gz VVGZHUASJOKTFH-HXUWFJFHSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073780 846006872 /nfs/dbraw/zinc/00/68/72/846006872.db2.gz VVGZHUASJOKTFH-HXUWFJFHSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073780 846006881 /nfs/dbraw/zinc/00/68/81/846006881.db2.gz VVGZHUASJOKTFH-HXUWFJFHSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073780 846006893 /nfs/dbraw/zinc/00/68/93/846006893.db2.gz VVGZHUASJOKTFH-HXUWFJFHSA-N 2 1 400.538 4.229 50 0 HIAAMP COCC[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055099415 849969675 /nfs/dbraw/zinc/96/96/75/849969675.db2.gz TVMLANAORKDGJP-QFIPXVFZSA-N 2 1 408.586 4.023 50 0 HIAAMP COCC[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055099415 849969680 /nfs/dbraw/zinc/96/96/80/849969680.db2.gz TVMLANAORKDGJP-QFIPXVFZSA-N 2 1 408.586 4.023 50 0 HIAAMP COCC[NH+](Cc1cccc(OC)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055099415 849969684 /nfs/dbraw/zinc/96/96/84/849969684.db2.gz TVMLANAORKDGJP-QFIPXVFZSA-N 2 1 408.586 4.023 50 0 HIAAMP COCC[NH+](Cc1cccc(OC)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055099415 849969688 /nfs/dbraw/zinc/96/96/88/849969688.db2.gz TVMLANAORKDGJP-QFIPXVFZSA-N 2 1 408.586 4.023 50 0 HIAAMP CC(C)c1nnc([C@H]2C[N@H+](C)CC23CC[NH+](Cc2ccc(F)cc2Cl)CC3)o1 ZINC000257174447 854232791 /nfs/dbraw/zinc/23/27/91/854232791.db2.gz HBVAZQXZLVCJBJ-QGZVFWFLSA-N 2 1 406.933 4.297 50 0 HIAAMP CC(C)c1nnc([C@H]2C[N@@H+](C)CC23CC[NH+](Cc2ccc(F)cc2Cl)CC3)o1 ZINC000257174447 854232799 /nfs/dbraw/zinc/23/27/99/854232799.db2.gz HBVAZQXZLVCJBJ-QGZVFWFLSA-N 2 1 406.933 4.297 50 0 HIAAMP CC(C)Cc1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]n1 ZINC000011819472 558282684 /nfs/dbraw/zinc/28/26/84/558282684.db2.gz FTMNZZCUTNAZFC-DEOSSOPVSA-N 2 1 402.627 4.244 50 0 HIAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccco3)cc2)C1)C1CC[NH+](C)CC1 ZINC000011842906 558287883 /nfs/dbraw/zinc/28/78/83/558287883.db2.gz OORXKGNSWLECSR-NRFANRHFSA-N 2 1 423.601 4.491 50 0 HIAAMP CN(C1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000019837739 558293186 /nfs/dbraw/zinc/29/31/86/558293186.db2.gz ZLVLLOCBZQHYAD-SANMLTNESA-N 2 1 406.618 4.075 50 0 HIAAMP CN(C1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000019837739 558293187 /nfs/dbraw/zinc/29/31/87/558293187.db2.gz ZLVLLOCBZQHYAD-SANMLTNESA-N 2 1 406.618 4.075 50 0 HIAAMP C[N@@H+](C[C@H](O)COc1ccccc1C[NH2+]CCc1cccc(F)c1)C1CCCCC1 ZINC000012052398 558314602 /nfs/dbraw/zinc/31/46/02/558314602.db2.gz DOBKVKURJCPNQV-DEOSSOPVSA-N 2 1 414.565 4.162 50 0 HIAAMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1 ZINC000012073511 558318481 /nfs/dbraw/zinc/31/84/81/558318481.db2.gz CDGPDOSBQGQUKQ-RUZDIDTESA-N 2 1 422.544 4.030 50 0 HIAAMP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209578 558347101 /nfs/dbraw/zinc/34/71/01/558347101.db2.gz OWJHANGNMOJGFX-JOCHJYFZSA-N 2 1 418.585 4.472 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209578 558347104 /nfs/dbraw/zinc/34/71/04/558347104.db2.gz OWJHANGNMOJGFX-JOCHJYFZSA-N 2 1 418.585 4.472 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209578 558347107 /nfs/dbraw/zinc/34/71/07/558347107.db2.gz OWJHANGNMOJGFX-JOCHJYFZSA-N 2 1 418.585 4.472 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209578 558347108 /nfs/dbraw/zinc/34/71/08/558347108.db2.gz OWJHANGNMOJGFX-JOCHJYFZSA-N 2 1 418.585 4.472 50 0 HIAAMP Cc1ccc(C[N@H+](C)Cc2cccc(OC[C@@H](O)C[NH+](C)C3CCCCC3)c2)o1 ZINC000012313804 558377281 /nfs/dbraw/zinc/37/72/81/558377281.db2.gz WDLUYEZDSBROSU-QFIPXVFZSA-N 2 1 400.563 4.224 50 0 HIAAMP Cc1ccc(C[NH+](C)Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)o1 ZINC000012313804 558377284 /nfs/dbraw/zinc/37/72/84/558377284.db2.gz WDLUYEZDSBROSU-QFIPXVFZSA-N 2 1 400.563 4.224 50 0 HIAAMP Cc1ccc(C[NH+](C)Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)o1 ZINC000012313804 558377287 /nfs/dbraw/zinc/37/72/87/558377287.db2.gz WDLUYEZDSBROSU-QFIPXVFZSA-N 2 1 400.563 4.224 50 0 HIAAMP Cc1ccc(C[NH2+]Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)cc1F ZINC000012585849 558433848 /nfs/dbraw/zinc/43/38/48/558433848.db2.gz XSXLCZBLRZOHIX-XMMPIXPASA-N 2 1 422.544 4.296 50 0 HIAAMP Cc1ccc(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)cc1F ZINC000012585854 558433952 /nfs/dbraw/zinc/43/39/52/558433952.db2.gz XSXLCZBLRZOHIX-DEOSSOPVSA-N 2 1 422.544 4.296 50 0 HIAAMP CCCn1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000012711402 558452687 /nfs/dbraw/zinc/45/26/87/558452687.db2.gz WYYJHSSROOWZPR-XMMPIXPASA-N 2 1 402.627 4.237 50 0 HIAAMP C[N@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2ccc(-c4ccccc4)cc2)CC3)CC1 ZINC000014878909 558675476 /nfs/dbraw/zinc/67/54/76/558675476.db2.gz PWBZSIFTUWCORU-VWLOTQADSA-N 2 1 417.597 4.120 50 0 HIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cccc(SC)c2)CC1 ZINC000015061750 558704706 /nfs/dbraw/zinc/70/47/06/558704706.db2.gz QVTIXPVCBGHYAY-NRFANRHFSA-N 2 1 403.636 4.001 50 0 HIAAMP O=C(C[N@H+]1CCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1 ZINC000058061427 558897326 /nfs/dbraw/zinc/89/73/26/558897326.db2.gz BPQHQHVEMDVQCF-HSZRJFAPSA-N 2 1 413.512 4.280 50 0 HIAAMP CCCn1cc(C[NH2+]C[C@H]2C[C@@](C)(CO)[N@H+](CC)[C@H]2c2ccc(Cl)cc2)c(C)n1 ZINC000064609813 558964721 /nfs/dbraw/zinc/96/47/21/558964721.db2.gz ZLKUPTUTMPSNHB-OIBXWCBGSA-N 2 1 419.013 4.179 50 0 HIAAMP CCCn1cc(C[NH2+]C[C@H]2C[C@@](C)(CO)[N@@H+](CC)[C@H]2c2ccc(Cl)cc2)c(C)n1 ZINC000064609813 558964725 /nfs/dbraw/zinc/96/47/25/558964725.db2.gz ZLKUPTUTMPSNHB-OIBXWCBGSA-N 2 1 419.013 4.179 50 0 HIAAMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2)C1 ZINC000061112984 559215040 /nfs/dbraw/zinc/21/50/40/559215040.db2.gz JOTUMZQZYDQGNL-NQIIRXRSSA-N 2 1 414.619 4.082 50 0 HIAAMP CCc1nc(C)c(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)[nH]1 ZINC000012306676 845866867 /nfs/dbraw/zinc/86/68/67/845866867.db2.gz JEMPTBOLEKVFQF-XMMPIXPASA-N 2 1 424.633 4.482 50 0 HIAAMP C[N@@H+](Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1)Cc1cccc2cnccc21 ZINC000012439649 845871631 /nfs/dbraw/zinc/87/16/31/845871631.db2.gz LITGYBPBLBFSHO-DEOSSOPVSA-N 2 1 419.569 4.092 50 0 HIAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH+](C)CC1 ZINC000012593878 845878547 /nfs/dbraw/zinc/87/85/47/845878547.db2.gz ABAQRSBNZMHZJL-QGZVFWFLSA-N 2 1 409.977 4.024 50 0 HIAAMP C[N@@H+](Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1)C(C1CC1)C1CC1 ZINC000012759552 845889275 /nfs/dbraw/zinc/88/92/75/845889275.db2.gz OFCFDEHTULXKCX-RUZDIDTESA-N 2 1 420.597 4.105 50 0 HIAAMP C[NH+](Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1)C(C1CC1)C1CC1 ZINC000012759552 845889279 /nfs/dbraw/zinc/88/92/79/845889279.db2.gz OFCFDEHTULXKCX-RUZDIDTESA-N 2 1 420.597 4.105 50 0 HIAAMP C[NH+](Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1)C(C1CC1)C1CC1 ZINC000012759552 845889285 /nfs/dbraw/zinc/88/92/85/845889285.db2.gz OFCFDEHTULXKCX-RUZDIDTESA-N 2 1 420.597 4.105 50 0 HIAAMP CCn1c2ccccc2nc1C[N@@H+](C)CC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000011664647 558268186 /nfs/dbraw/zinc/26/81/86/558268186.db2.gz YBHLMQWZUJTIFZ-UHFFFAOYSA-N 2 1 420.601 4.451 50 0 HIAAMP COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCn2cc[nH+]c2C)c1 ZINC000019792710 558283423 /nfs/dbraw/zinc/28/34/23/558283423.db2.gz GIQFUIVNWDXMCW-UHFFFAOYSA-N 2 1 401.514 4.185 50 0 HIAAMP COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCn2cc[nH+]c2C)c1 ZINC000019792710 558283425 /nfs/dbraw/zinc/28/34/25/558283425.db2.gz GIQFUIVNWDXMCW-UHFFFAOYSA-N 2 1 401.514 4.185 50 0 HIAAMP Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000011873356 558291295 /nfs/dbraw/zinc/29/12/95/558291295.db2.gz WKYMHFKKLVLEIC-MRXNPFEDSA-N 2 1 403.954 4.236 50 0 HIAAMP COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3ccc(C[NH+]4CCCC4)s3)C2)c1 ZINC000020905741 558420828 /nfs/dbraw/zinc/42/08/28/558420828.db2.gz MMCFHQLVJPMDDL-DEOSSOPVSA-N 2 1 414.615 4.170 50 0 HIAAMP C[NH+](Cc1ccccc1)Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012594989 558437114 /nfs/dbraw/zinc/43/71/14/558437114.db2.gz VNHQXCQKZLFNDZ-RUZDIDTESA-N 2 1 404.554 4.190 50 0 HIAAMP C[NH+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@H+](C)Cc2ccccc2)cc1 ZINC000012594989 558437118 /nfs/dbraw/zinc/43/71/18/558437118.db2.gz VNHQXCQKZLFNDZ-RUZDIDTESA-N 2 1 404.554 4.190 50 0 HIAAMP C[NH+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012594989 558437119 /nfs/dbraw/zinc/43/71/19/558437119.db2.gz VNHQXCQKZLFNDZ-RUZDIDTESA-N 2 1 404.554 4.190 50 0 HIAAMP COCc1cc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)ccc1OC ZINC000012595983 558437713 /nfs/dbraw/zinc/43/77/13/558437713.db2.gz XCIZBBAEALPMSP-UHFFFAOYSA-N 2 1 414.565 4.367 50 0 HIAAMP CC(C)c1nc(C[NH2+]Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)cs1 ZINC000014948196 558680291 /nfs/dbraw/zinc/68/02/91/558680291.db2.gz SHJWSSSPOWABOE-OAQYLSRUSA-N 2 1 417.619 4.172 50 0 HIAAMP O=C(/C=C/c1ccco1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014969122 558686821 /nfs/dbraw/zinc/68/68/21/558686821.db2.gz RISNANCGNDEBDH-CHHLAKQQSA-N 2 1 413.606 4.262 50 0 HIAAMP COCC[N@@H+](Cc1cc2ccccc2[nH]1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014981350 558691966 /nfs/dbraw/zinc/69/19/66/558691966.db2.gz DCOVMMIZWHFJPM-NRFANRHFSA-N 2 1 417.597 4.496 50 0 HIAAMP COCC[N@H+](Cc1cc2ccccc2[nH]1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014981350 558691968 /nfs/dbraw/zinc/69/19/68/558691968.db2.gz DCOVMMIZWHFJPM-NRFANRHFSA-N 2 1 417.597 4.496 50 0 HIAAMP COCC[NH+](Cc1cc2ccccc2[nH]1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014981350 558691971 /nfs/dbraw/zinc/69/19/71/558691971.db2.gz DCOVMMIZWHFJPM-NRFANRHFSA-N 2 1 417.597 4.496 50 0 HIAAMP COCC[NH+](Cc1cc2ccccc2[nH]1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014981350 558691974 /nfs/dbraw/zinc/69/19/74/558691974.db2.gz DCOVMMIZWHFJPM-NRFANRHFSA-N 2 1 417.597 4.496 50 0 HIAAMP C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072305009 558757040 /nfs/dbraw/zinc/75/70/40/558757040.db2.gz PJRMFQGLSRNIKD-WIOPSUGQSA-N 2 1 405.586 4.024 50 0 HIAAMP C[NH+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072305009 558757043 /nfs/dbraw/zinc/75/70/43/558757043.db2.gz PJRMFQGLSRNIKD-WIOPSUGQSA-N 2 1 405.586 4.024 50 0 HIAAMP C[NH+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072305009 558757045 /nfs/dbraw/zinc/75/70/45/558757045.db2.gz PJRMFQGLSRNIKD-WIOPSUGQSA-N 2 1 405.586 4.024 50 0 HIAAMP Cc1ccc([C@H]([NH2+]CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547259 568852603 /nfs/dbraw/zinc/85/26/03/568852603.db2.gz HEDPYSADSXQTFP-XNMGPUDCSA-N 2 1 413.565 4.065 50 0 HIAAMP Cc1ccc([C@H]([NH2+]CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547259 568852604 /nfs/dbraw/zinc/85/26/04/568852604.db2.gz HEDPYSADSXQTFP-XNMGPUDCSA-N 2 1 413.565 4.065 50 0 HIAAMP Cc1ccc([C@H]([NH2+]CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547268 568852720 /nfs/dbraw/zinc/85/27/20/568852720.db2.gz HEDPYSADSXQTFP-AHKZPQOWSA-N 2 1 413.565 4.065 50 0 HIAAMP Cc1ccc([C@H]([NH2+]CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547268 568852721 /nfs/dbraw/zinc/85/27/21/568852721.db2.gz HEDPYSADSXQTFP-AHKZPQOWSA-N 2 1 413.565 4.065 50 0 HIAAMP Cc1ccc([C@@H]([NH2+]CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547271 568852846 /nfs/dbraw/zinc/85/28/46/568852846.db2.gz HEDPYSADSXQTFP-BDYUSTAISA-N 2 1 413.565 4.065 50 0 HIAAMP Cc1ccc([C@@H]([NH2+]CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547271 568852848 /nfs/dbraw/zinc/85/28/48/568852848.db2.gz HEDPYSADSXQTFP-BDYUSTAISA-N 2 1 413.565 4.065 50 0 HIAAMP COc1ccc(CC[N@H+](Cc2cc(OC)cc(OC)c2)CC2CC[NH+](C)CC2)cc1 ZINC000011842564 845838121 /nfs/dbraw/zinc/83/81/21/845838121.db2.gz GAVDTZZNASPDIJ-UHFFFAOYSA-N 2 1 412.574 4.099 50 0 HIAAMP COCC[N@H+](Cc1cccc(F)c1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012431817 845870481 /nfs/dbraw/zinc/87/04/81/845870481.db2.gz JPEKANOVPLJZBL-UHFFFAOYSA-N 2 1 400.538 4.195 50 0 HIAAMP C[N@@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)Cc1ccnc2ccccc12 ZINC000013636580 845917621 /nfs/dbraw/zinc/91/76/21/845917621.db2.gz BWXVQCRKPHRWFP-HSZRJFAPSA-N 2 1 419.569 4.092 50 0 HIAAMP CCOc1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1O ZINC000015075296 846006534 /nfs/dbraw/zinc/00/65/34/846006534.db2.gz CEPLZMPCLRCCDS-HSZRJFAPSA-N 2 1 416.606 4.427 50 0 HIAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Br)c1OCc1ccccc1C ZINC000040720447 520712235 /nfs/dbraw/zinc/71/22/35/520712235.db2.gz NHYXFDBAGFEFAQ-UHFFFAOYSA-N 2 1 421.379 4.434 50 0 HIAAMP C[N@@H+](C[C@@H](O)COc1ccccc1C[NH2+]C1(c2ccccc2)CC1)C1CCCCC1 ZINC000011951729 558302947 /nfs/dbraw/zinc/30/29/47/558302947.db2.gz RRZXLYPNCCUACW-XMMPIXPASA-N 2 1 408.586 4.470 50 0 HIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000012478790 558423106 /nfs/dbraw/zinc/42/31/06/558423106.db2.gz KTYHHBARXDOVLB-UHFFFAOYSA-N 2 1 409.574 4.040 50 0 HIAAMP Cc1cccc(C[NH2+]Cc2ccc(OC[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)c1 ZINC000012582161 558432880 /nfs/dbraw/zinc/43/28/80/558432880.db2.gz FSTJGPPFERGLKQ-RUZDIDTESA-N 2 1 404.554 4.157 50 0 HIAAMP COc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012708766 558451049 /nfs/dbraw/zinc/45/10/49/558451049.db2.gz QQWPOQYVSDYXLX-DEOSSOPVSA-N 2 1 416.606 4.339 50 0 HIAAMP CC(C)CNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014532858 558656879 /nfs/dbraw/zinc/65/68/79/558656879.db2.gz CRSBZXGORLZHEH-RCZVLFRGSA-N 2 1 407.602 4.146 50 0 HIAAMP C[N@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2ccc(-c4ccccc4)cc2)CC3)CC1 ZINC000014878910 558675449 /nfs/dbraw/zinc/67/54/49/558675449.db2.gz PWBZSIFTUWCORU-RUZDIDTESA-N 2 1 417.597 4.120 50 0 HIAAMP CCOc1ccc2nc(C[N@@H+](CC)CC3CC[NH+](C4CCN(C)CC4)CC3)ccc2c1 ZINC000015063784 558706384 /nfs/dbraw/zinc/70/63/84/558706384.db2.gz PWFGLQFVODJLOY-UHFFFAOYSA-N 2 1 424.633 4.262 50 0 HIAAMP CCOc1ccc2nc(C[N@H+](CC)CC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc2c1 ZINC000015063784 558706387 /nfs/dbraw/zinc/70/63/87/558706387.db2.gz PWFGLQFVODJLOY-UHFFFAOYSA-N 3 1 424.633 4.262 50 0 HIAAMP CCOc1ccc2nc(C[N@@H+](CC)CC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc2c1 ZINC000015063784 558706391 /nfs/dbraw/zinc/70/63/91/558706391.db2.gz PWFGLQFVODJLOY-UHFFFAOYSA-N 3 1 424.633 4.262 50 0 HIAAMP CCOc1ccc(C[N@H+](CCOC)C[C@@H]2CCC[NH+](C3Cc4ccccc4C3)C2)cc1 ZINC000055100069 558872397 /nfs/dbraw/zinc/87/23/97/558872397.db2.gz DLGBYQUVPKNUON-QHCPKHFHSA-N 2 1 422.613 4.413 50 0 HIAAMP CCOc1ccc(C[N@@H+](CCOC)C[C@@H]2CCC[NH+](C3Cc4ccccc4C3)C2)cc1 ZINC000055100069 558872399 /nfs/dbraw/zinc/87/23/99/558872399.db2.gz DLGBYQUVPKNUON-QHCPKHFHSA-N 2 1 422.613 4.413 50 0 HIAAMP CCOc1ccc(C[NH+](CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000055100069 558872401 /nfs/dbraw/zinc/87/24/01/558872401.db2.gz DLGBYQUVPKNUON-QHCPKHFHSA-N 2 1 422.613 4.413 50 0 HIAAMP CCOc1ccc(C[NH+](CCOC)C[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000055100069 558872404 /nfs/dbraw/zinc/87/24/04/558872404.db2.gz DLGBYQUVPKNUON-QHCPKHFHSA-N 2 1 422.613 4.413 50 0 HIAAMP CC[N@H+](Cc1cccc2nonc21)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055153794 558874459 /nfs/dbraw/zinc/87/44/59/558874459.db2.gz ZLZYEVMFYCNVGF-HXUWFJFHSA-N 2 1 408.546 4.008 50 0 HIAAMP CC[NH+](Cc1cccc2nonc21)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055153794 558874461 /nfs/dbraw/zinc/87/44/61/558874461.db2.gz ZLZYEVMFYCNVGF-HXUWFJFHSA-N 2 1 408.546 4.008 50 0 HIAAMP CC[NH+](Cc1cccc2nonc21)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055153794 558874462 /nfs/dbraw/zinc/87/44/62/558874462.db2.gz ZLZYEVMFYCNVGF-HXUWFJFHSA-N 2 1 408.546 4.008 50 0 HIAAMP Cc1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)on1 ZINC000095502635 559082583 /nfs/dbraw/zinc/08/25/83/559082583.db2.gz HBHAXFXWADODLQ-OAQYLSRUSA-N 2 1 401.526 4.015 50 0 HIAAMP CCc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)o1 ZINC000011843863 845837787 /nfs/dbraw/zinc/83/77/87/845837787.db2.gz GWMHITXUWTZADL-HSZRJFAPSA-N 2 1 423.601 4.179 50 0 HIAAMP CCc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)o1 ZINC000011843863 845837794 /nfs/dbraw/zinc/83/77/94/845837794.db2.gz GWMHITXUWTZADL-HSZRJFAPSA-N 2 1 423.601 4.179 50 0 HIAAMP Fc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1F ZINC000012184255 845857845 /nfs/dbraw/zinc/85/78/45/845857845.db2.gz XUXKWXMWRCHLLR-GOSISDBHSA-N 2 1 418.557 4.322 50 0 HIAAMP Fc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1F ZINC000012184255 845857848 /nfs/dbraw/zinc/85/78/48/845857848.db2.gz XUXKWXMWRCHLLR-GOSISDBHSA-N 2 1 418.557 4.322 50 0 HIAAMP C[NH+](C[C@@H](O)COc1cccc(C[N@H+](C)C(C2CC2)C2CC2)c1)C1CCCCC1 ZINC000012480306 845874148 /nfs/dbraw/zinc/87/41/48/845874148.db2.gz MAOQAPILLHKDGY-HSZRJFAPSA-N 2 1 400.607 4.311 50 0 HIAAMP C[NH+](Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1)C(C1CC1)C1CC1 ZINC000012480306 845874154 /nfs/dbraw/zinc/87/41/54/845874154.db2.gz MAOQAPILLHKDGY-HSZRJFAPSA-N 2 1 400.607 4.311 50 0 HIAAMP C[NH+](Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1)C(C1CC1)C1CC1 ZINC000012480306 845874162 /nfs/dbraw/zinc/87/41/62/845874162.db2.gz MAOQAPILLHKDGY-HSZRJFAPSA-N 2 1 400.607 4.311 50 0 HIAAMP c1ccc(COC2CC[NH+](Cc3ccc4c(c3)C[N@H+](CC3CC3)CCO4)CC2)cc1 ZINC000014986836 845996669 /nfs/dbraw/zinc/99/66/69/845996669.db2.gz NZNVOYSPJPXEEQ-UHFFFAOYSA-N 2 1 406.570 4.472 50 0 HIAAMP CCOc1cccc(C[NH+]2CCC3(CC[C@@H](C[N@@H+](C)Cc4ccncc4)O3)CC2)c1 ZINC000257188066 854233838 /nfs/dbraw/zinc/23/38/38/854233838.db2.gz DGVOVEAZAJSORV-DEOSSOPVSA-N 2 1 409.574 4.126 50 0 HIAAMP CCOc1cccc(C[NH+]2CCC3(CC[C@H](C[N@@H+](C)Cc4ccncc4)O3)CC2)c1 ZINC000257188067 854234200 /nfs/dbraw/zinc/23/42/00/854234200.db2.gz DGVOVEAZAJSORV-XMMPIXPASA-N 2 1 409.574 4.126 50 0 HIAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Br)c1OCc1cccc(C)c1 ZINC000040720438 520712021 /nfs/dbraw/zinc/71/20/21/520712021.db2.gz DFGNRDUWIXQDGG-UHFFFAOYSA-N 2 1 421.379 4.434 50 0 HIAAMP COc1ccc(CC[N@H+](Cc2csc(C(C)=O)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012297541 558367630 /nfs/dbraw/zinc/36/76/30/558367630.db2.gz VBKIKTJIVYSDDU-UHFFFAOYSA-N 2 1 400.588 4.346 50 0 HIAAMP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cccc(OC)c2)C[C@@]1(C)CO ZINC000020909935 558422033 /nfs/dbraw/zinc/42/20/33/558422033.db2.gz MLZITIBRVMCTCQ-OIBXWCBGSA-N 2 1 402.966 4.272 50 0 HIAAMP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cccc(OC)c2)C[C@@]1(C)CO ZINC000020909935 558422036 /nfs/dbraw/zinc/42/20/36/558422036.db2.gz MLZITIBRVMCTCQ-OIBXWCBGSA-N 2 1 402.966 4.272 50 0 HIAAMP C[N@@H+](C[C@@H](O)COc1cccc(C[NH2+]Cc2ccccc2F)c1)C1CCCCC1 ZINC000012701256 558447639 /nfs/dbraw/zinc/44/76/39/558447639.db2.gz AALAZQLTDYDKNQ-JOCHJYFZSA-N 2 1 400.538 4.120 50 0 HIAAMP C[N@@H+](Cc1cccn1-c1nccs1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000023337605 558550078 /nfs/dbraw/zinc/55/00/78/558550078.db2.gz GUSMWQOTDZYVPT-FQEVSTJZSA-N 2 1 412.578 4.459 50 0 HIAAMP C[N@H+](Cc1cccn1-c1nccs1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000023337605 558550079 /nfs/dbraw/zinc/55/00/79/558550079.db2.gz GUSMWQOTDZYVPT-FQEVSTJZSA-N 2 1 412.578 4.459 50 0 HIAAMP C[NH+](Cc1cccn1-c1nccs1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000023337605 558550080 /nfs/dbraw/zinc/55/00/80/558550080.db2.gz GUSMWQOTDZYVPT-FQEVSTJZSA-N 2 1 412.578 4.459 50 0 HIAAMP C[NH+](Cc1cccn1-c1nccs1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000023337605 558550081 /nfs/dbraw/zinc/55/00/81/558550081.db2.gz GUSMWQOTDZYVPT-FQEVSTJZSA-N 2 1 412.578 4.459 50 0 HIAAMP COCC[N@H+](Cc1cccc(F)c1F)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000055152889 558874157 /nfs/dbraw/zinc/87/41/57/558874157.db2.gz KGQSDQSZLCQFNS-UHFFFAOYSA-N 2 1 418.528 4.334 50 0 HIAAMP C[N@@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCN(Cc2cccnc2)CC1 ZINC000055168421 558874987 /nfs/dbraw/zinc/87/49/87/558874987.db2.gz INURIVGLZHAHSP-UHFFFAOYSA-N 2 1 424.608 4.072 50 0 HIAAMP CSc1ncc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000055255301 558877768 /nfs/dbraw/zinc/87/77/68/558877768.db2.gz HQYOSGNFNOBBFF-UHFFFAOYSA-N 2 1 411.619 4.250 50 0 HIAAMP CSc1ncc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000055255301 558877772 /nfs/dbraw/zinc/87/77/72/558877772.db2.gz HQYOSGNFNOBBFF-UHFFFAOYSA-N 2 1 411.619 4.250 50 0 HIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000011767238 559258771 /nfs/dbraw/zinc/25/87/71/559258771.db2.gz JBQNCVLWGWHZHF-GOSISDBHSA-N 2 1 409.977 4.072 50 0 HIAAMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1OC ZINC000047778183 568431218 /nfs/dbraw/zinc/43/12/18/568431218.db2.gz ZXLRCTJXPOCDSK-KDURUIRLSA-N 2 1 412.574 4.480 50 0 HIAAMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1OC ZINC000047778183 568431219 /nfs/dbraw/zinc/43/12/19/568431219.db2.gz ZXLRCTJXPOCDSK-KDURUIRLSA-N 2 1 412.574 4.480 50 0 HIAAMP CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)C2([NH+]3CCCCC3)CCCCC2)C1 ZINC000011938225 845841835 /nfs/dbraw/zinc/84/18/35/845841835.db2.gz KWDIRFMKOFAEPJ-QHCPKHFHSA-N 2 1 412.622 4.083 50 0 HIAAMP CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH+](CC(C)(C)C)CCO3)C1 ZINC000012149168 845855879 /nfs/dbraw/zinc/85/58/79/845855879.db2.gz DTHDHEICRBWURC-NRFANRHFSA-N 2 1 415.622 4.008 50 0 HIAAMP CCN(CC)C(=O)[C@H]1CCC[NH+](Cc2ccc3c(c2)C[N@@H+](CC(C)(C)C)CCO3)C1 ZINC000012149168 845855889 /nfs/dbraw/zinc/85/58/89/845855889.db2.gz DTHDHEICRBWURC-NRFANRHFSA-N 2 1 415.622 4.008 50 0 HIAAMP CCN(CC)C(=O)[C@H]1CCC[NH+](Cc2ccc3c(c2)C[N@H+](CC(C)(C)C)CCO3)C1 ZINC000012149168 845855892 /nfs/dbraw/zinc/85/58/92/845855892.db2.gz DTHDHEICRBWURC-NRFANRHFSA-N 2 1 415.622 4.008 50 0 HIAAMP O=C(CCC1CC[NH+](Cc2ccsc2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012315771 845867052 /nfs/dbraw/zinc/86/70/52/845867052.db2.gz MCBCCLBUWGFXCE-HSZRJFAPSA-N 2 1 411.615 4.131 50 0 HIAAMP Cc1cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)oc1C ZINC000012431827 845870009 /nfs/dbraw/zinc/87/00/09/845870009.db2.gz VUBQILGVBXLZGK-XMMPIXPASA-N 2 1 423.601 4.233 50 0 HIAAMP Cc1cc(C[N@H+]2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)oc1C ZINC000012431827 845870011 /nfs/dbraw/zinc/87/00/11/845870011.db2.gz VUBQILGVBXLZGK-XMMPIXPASA-N 2 1 423.601 4.233 50 0 HIAAMP CCN1CCC([N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000012747609 845888827 /nfs/dbraw/zinc/88/88/27/845888827.db2.gz BCCRVAFQAMCAQG-SANMLTNESA-N 2 1 413.650 4.172 50 0 HIAAMP CC[NH+]1CCC([N@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000012747609 845888829 /nfs/dbraw/zinc/88/88/29/845888829.db2.gz BCCRVAFQAMCAQG-SANMLTNESA-N 3 1 413.650 4.172 50 0 HIAAMP CC[NH+]1CCC([N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000012747609 845888832 /nfs/dbraw/zinc/88/88/32/845888832.db2.gz BCCRVAFQAMCAQG-SANMLTNESA-N 3 1 413.650 4.172 50 0 HIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000011818967 558282098 /nfs/dbraw/zinc/28/20/98/558282098.db2.gz KKMJTFJMNONCSE-JOCHJYFZSA-N 2 1 402.542 4.464 50 0 HIAAMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1 ZINC000011818967 558282100 /nfs/dbraw/zinc/28/21/00/558282100.db2.gz KKMJTFJMNONCSE-JOCHJYFZSA-N 2 1 402.542 4.464 50 0 HIAAMP CCc1ccc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000011821978 558285147 /nfs/dbraw/zinc/28/51/47/558285147.db2.gz NIPWLPPSJSNAHO-UHFFFAOYSA-N 2 1 420.645 4.452 50 0 HIAAMP CCn1cc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000011937198 558301135 /nfs/dbraw/zinc/30/11/35/558301135.db2.gz JLXNDINUQOSVFY-OAQYLSRUSA-N 2 1 424.633 4.206 50 0 HIAAMP Cc1ccc(C[NH2+]Cc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)s1 ZINC000012192336 558347805 /nfs/dbraw/zinc/34/78/05/558347805.db2.gz WDEYYECDJJRNGE-OAQYLSRUSA-N 2 1 402.604 4.351 50 0 HIAAMP CC(=O)c1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)c1 ZINC000012206886 558353044 /nfs/dbraw/zinc/35/30/44/558353044.db2.gz BPFZJKQSGWDIEV-QFIPXVFZSA-N 2 1 416.525 4.234 50 0 HIAAMP CC(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)C2)c1 ZINC000012206886 558353046 /nfs/dbraw/zinc/35/30/46/558353046.db2.gz BPFZJKQSGWDIEV-QFIPXVFZSA-N 2 1 416.525 4.234 50 0 HIAAMP CN1CCC([NH+]2CCC(C[N@@H+](CCCc3ccccc3)Cc3ccncc3)CC2)CC1 ZINC000012308508 558376770 /nfs/dbraw/zinc/37/67/70/558376770.db2.gz RCHSFXFDMIYIRH-UHFFFAOYSA-N 2 1 420.645 4.323 50 0 HIAAMP C[NH+]1CCC([NH+]2CCC(C[N@H+](CCCc3ccccc3)Cc3ccncc3)CC2)CC1 ZINC000012308508 558376773 /nfs/dbraw/zinc/37/67/73/558376773.db2.gz RCHSFXFDMIYIRH-UHFFFAOYSA-N 3 1 420.645 4.323 50 0 HIAAMP C[NH+]1CCC([NH+]2CCC(C[N@@H+](CCCc3ccccc3)Cc3ccncc3)CC2)CC1 ZINC000012308508 558376775 /nfs/dbraw/zinc/37/67/75/558376775.db2.gz RCHSFXFDMIYIRH-UHFFFAOYSA-N 3 1 420.645 4.323 50 0 HIAAMP CC[N@H+](Cc1cccc(-n2nc(C)cc2C)c1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012430551 558405115 /nfs/dbraw/zinc/40/51/15/558405115.db2.gz LROSZJRKBKFYJW-UHFFFAOYSA-N 2 1 423.649 4.117 50 0 HIAAMP CC[N@@H+](Cc1cccc(-n2nc(C)cc2C)c1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000012430551 558405118 /nfs/dbraw/zinc/40/51/18/558405118.db2.gz LROSZJRKBKFYJW-UHFFFAOYSA-N 3 1 423.649 4.117 50 0 HIAAMP CC[N@H+](Cc1cccc(-n2nc(C)cc2C)c1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000012430551 558405122 /nfs/dbraw/zinc/40/51/22/558405122.db2.gz LROSZJRKBKFYJW-UHFFFAOYSA-N 3 1 423.649 4.117 50 0 HIAAMP CCOCc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)ccc1OC ZINC000012459811 558418873 /nfs/dbraw/zinc/41/88/73/558418873.db2.gz AJWHBABHGADVOB-UHFFFAOYSA-N 2 1 400.563 4.477 50 0 HIAAMP CC(C)[N@H+]1CCC[C@@H](C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC000012477890 558422770 /nfs/dbraw/zinc/42/27/70/558422770.db2.gz GTYCTHARFAQNQZ-JOCHJYFZSA-N 2 1 420.041 4.173 50 0 HIAAMP C[N@@H+](Cc1cccn1-c1nccs1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000023337607 558549928 /nfs/dbraw/zinc/54/99/28/558549928.db2.gz GUSMWQOTDZYVPT-HXUWFJFHSA-N 2 1 412.578 4.459 50 0 HIAAMP C[N@H+](Cc1cccn1-c1nccs1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000023337607 558549929 /nfs/dbraw/zinc/54/99/29/558549929.db2.gz GUSMWQOTDZYVPT-HXUWFJFHSA-N 2 1 412.578 4.459 50 0 HIAAMP C[NH+](Cc1cccn1-c1nccs1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000023337607 558549932 /nfs/dbraw/zinc/54/99/32/558549932.db2.gz GUSMWQOTDZYVPT-HXUWFJFHSA-N 2 1 412.578 4.459 50 0 HIAAMP C[NH+](Cc1cccn1-c1nccs1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000023337607 558549935 /nfs/dbraw/zinc/54/99/35/558549935.db2.gz GUSMWQOTDZYVPT-HXUWFJFHSA-N 2 1 412.578 4.459 50 0 HIAAMP C[N@H+](Cc1cccn1-c1ccccn1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012448768 558642319 /nfs/dbraw/zinc/64/23/19/558642319.db2.gz RHOICYIVXHTWFT-UHFFFAOYSA-N 2 1 406.549 4.398 50 0 HIAAMP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971644 558687469 /nfs/dbraw/zinc/68/74/69/558687469.db2.gz QOFXMZAVCRDHRM-QFIPXVFZSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971644 558687472 /nfs/dbraw/zinc/68/74/72/558687472.db2.gz QOFXMZAVCRDHRM-QFIPXVFZSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971644 558687474 /nfs/dbraw/zinc/68/74/74/558687474.db2.gz QOFXMZAVCRDHRM-QFIPXVFZSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971644 558687477 /nfs/dbraw/zinc/68/74/77/558687477.db2.gz QOFXMZAVCRDHRM-QFIPXVFZSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[N@H+](Cc2ccc(OC)c(OC)c2)CC2CC[NH+](C)CC2)cc1 ZINC000014974488 558688570 /nfs/dbraw/zinc/68/85/70/558688570.db2.gz APNRPJJIQSTWPI-UHFFFAOYSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1cc(Br)c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000015185392 558727169 /nfs/dbraw/zinc/72/71/69/558727169.db2.gz VOQPQWZQBJTWEL-UHFFFAOYSA-N 2 1 419.363 4.352 50 0 HIAAMP CC[N@H+](Cc1cccc2nonc21)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055153792 558874510 /nfs/dbraw/zinc/87/45/10/558874510.db2.gz ZLZYEVMFYCNVGF-FQEVSTJZSA-N 2 1 408.546 4.008 50 0 HIAAMP CC[NH+](Cc1cccc2nonc21)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055153792 558874512 /nfs/dbraw/zinc/87/45/12/558874512.db2.gz ZLZYEVMFYCNVGF-FQEVSTJZSA-N 2 1 408.546 4.008 50 0 HIAAMP CC[NH+](Cc1cccc2nonc21)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055153792 558874514 /nfs/dbraw/zinc/87/45/14/558874514.db2.gz ZLZYEVMFYCNVGF-FQEVSTJZSA-N 2 1 408.546 4.008 50 0 HIAAMP CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000011767255 559258739 /nfs/dbraw/zinc/25/87/39/559258739.db2.gz JBQNCVLWGWHZHF-SFHVURJKSA-N 2 1 409.977 4.072 50 0 HIAAMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000170639713 569281475 /nfs/dbraw/zinc/28/14/75/569281475.db2.gz WZOZSPVNJGEACT-QFIPXVFZSA-N 2 1 401.595 4.087 50 0 HIAAMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc1 ZINC000012054250 845851223 /nfs/dbraw/zinc/85/12/23/845851223.db2.gz ACJZAHYZAFLZJN-HSZRJFAPSA-N 2 1 413.650 4.430 50 0 HIAAMP COC(=O)Cn1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)c2ccccc21 ZINC000012320258 845868227 /nfs/dbraw/zinc/86/82/27/845868227.db2.gz DAWYQCMPRUXMJH-UHFFFAOYSA-N 2 1 423.557 4.060 50 0 HIAAMP Cc1cccnc1C[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012434973 845871156 /nfs/dbraw/zinc/87/11/56/845871156.db2.gz ILEIPNYTIJVEIO-HSZRJFAPSA-N 2 1 411.590 4.026 50 0 HIAAMP Cc1cccnc1C[NH+](C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012434973 845871157 /nfs/dbraw/zinc/87/11/57/845871157.db2.gz ILEIPNYTIJVEIO-HSZRJFAPSA-N 2 1 411.590 4.026 50 0 HIAAMP Cc1cccnc1C[NH+](C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012434973 845871158 /nfs/dbraw/zinc/87/11/58/845871158.db2.gz ILEIPNYTIJVEIO-HSZRJFAPSA-N 2 1 411.590 4.026 50 0 HIAAMP Cc1ccc(F)cc1C[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000014954966 845994262 /nfs/dbraw/zinc/99/42/62/845994262.db2.gz HLLFVAQJJRZLRK-RUZDIDTESA-N 2 1 422.544 4.296 50 0 HIAAMP COc1ccc(CC[N@H+](Cc2ccc(F)c(OC)c2)CC2CC[NH+](C)CC2)cc1 ZINC000014948278 845994850 /nfs/dbraw/zinc/99/48/50/845994850.db2.gz JNULFAFHTXXIEZ-UHFFFAOYSA-N 2 1 400.538 4.229 50 0 HIAAMP COc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000011838842 558285657 /nfs/dbraw/zinc/28/56/57/558285657.db2.gz FDHNEKDPDDRGRC-QHCPKHFHSA-N 2 1 404.570 4.470 50 0 HIAAMP CN(C1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000019837737 558293066 /nfs/dbraw/zinc/29/30/66/558293066.db2.gz ZLVLLOCBZQHYAD-AREMUKBSSA-N 2 1 406.618 4.075 50 0 HIAAMP CN(C1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000019837737 558293069 /nfs/dbraw/zinc/29/30/69/558293069.db2.gz ZLVLLOCBZQHYAD-AREMUKBSSA-N 2 1 406.618 4.075 50 0 HIAAMP O=C(CCC1CC[NH+](Cc2ccccc2F)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000011878912 558293454 /nfs/dbraw/zinc/29/34/54/558293454.db2.gz MNAWKCDGDLOPET-DEOSSOPVSA-N 2 1 423.576 4.209 50 0 HIAAMP Cc1ccccc1C[N@@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020207357 558346938 /nfs/dbraw/zinc/34/69/38/558346938.db2.gz YQENGNNQUJNFNI-RUZDIDTESA-N 2 1 419.613 4.332 50 0 HIAAMP Cc1ccccc1C[N@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000020207357 558346941 /nfs/dbraw/zinc/34/69/41/558346941.db2.gz YQENGNNQUJNFNI-RUZDIDTESA-N 2 1 419.613 4.332 50 0 HIAAMP C[N@H+](Cc1cccn1-c1ccccn1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012308791 558377003 /nfs/dbraw/zinc/37/70/03/558377003.db2.gz GSGBTKOMMRLJQL-UHFFFAOYSA-N 2 1 406.549 4.398 50 0 HIAAMP C[C@@H]1CN(C(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)CC[N@@H+]1C ZINC000012430348 558405167 /nfs/dbraw/zinc/40/51/67/558405167.db2.gz TYTBOWWQOASXJK-QGZVFWFLSA-N 2 1 422.013 4.005 50 0 HIAAMP C[C@@H]1CN(C(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)CC[N@H+]1C ZINC000012430348 558405171 /nfs/dbraw/zinc/40/51/71/558405171.db2.gz TYTBOWWQOASXJK-QGZVFWFLSA-N 2 1 422.013 4.005 50 0 HIAAMP Fc1cccc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1 ZINC000014887035 558677570 /nfs/dbraw/zinc/67/75/70/558677570.db2.gz KBUPEMBXGWSAFS-LJQANCHMSA-N 2 1 400.567 4.183 50 0 HIAAMP CC(C)c1nc(C[NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)cs1 ZINC000014948193 558680226 /nfs/dbraw/zinc/68/02/26/558680226.db2.gz SHJWSSSPOWABOE-NRFANRHFSA-N 2 1 417.619 4.172 50 0 HIAAMP COCC[N@H+](Cc1ccc(OC)cc1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000014973909 558688587 /nfs/dbraw/zinc/68/85/87/558688587.db2.gz MYQZWMWTHNEZET-UHFFFAOYSA-N 2 1 412.574 4.064 50 0 HIAAMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc1CO ZINC000014980860 558691258 /nfs/dbraw/zinc/69/12/58/558691258.db2.gz UWZWGYWGIRHIPS-UHFFFAOYSA-N 2 1 414.565 4.103 50 0 HIAAMP CCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088932 558871810 /nfs/dbraw/zinc/87/18/10/558871810.db2.gz VSRGWTIECIMDKK-QFIPXVFZSA-N 2 1 412.574 4.186 50 0 HIAAMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088932 558871814 /nfs/dbraw/zinc/87/18/14/558871814.db2.gz VSRGWTIECIMDKK-QFIPXVFZSA-N 2 1 412.574 4.186 50 0 HIAAMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088932 558871818 /nfs/dbraw/zinc/87/18/18/558871818.db2.gz VSRGWTIECIMDKK-QFIPXVFZSA-N 2 1 412.574 4.186 50 0 HIAAMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088932 558871820 /nfs/dbraw/zinc/87/18/20/558871820.db2.gz VSRGWTIECIMDKK-QFIPXVFZSA-N 2 1 412.574 4.186 50 0 HIAAMP Cc1nc[nH]c1C[N@@H+](Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000095508119 559083460 /nfs/dbraw/zinc/08/34/60/559083460.db2.gz ATOXDKPJDAJMTA-UHFFFAOYSA-N 2 1 403.574 4.336 50 0 HIAAMP Cc1nc[nH]c1C[N@H+](Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000095508119 559083461 /nfs/dbraw/zinc/08/34/61/559083461.db2.gz ATOXDKPJDAJMTA-UHFFFAOYSA-N 2 1 403.574 4.336 50 0 HIAAMP Cc1cccc(N2CCC([NH2+][C@@H](C)C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000095972259 568671807 /nfs/dbraw/zinc/67/18/07/568671807.db2.gz CSVJAVPREICFQF-AZUAARDMSA-N 2 1 402.583 4.127 50 0 HIAAMP c1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc2nsnc12 ZINC000011956497 845843993 /nfs/dbraw/zinc/84/39/93/845843993.db2.gz LXFQAGCGSJDVPF-OAQYLSRUSA-N 2 1 414.619 4.327 50 0 HIAAMP CCc1nc(C)c(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)[nH]1 ZINC000012306671 845866833 /nfs/dbraw/zinc/86/68/33/845866833.db2.gz JEMPTBOLEKVFQF-DEOSSOPVSA-N 2 1 424.633 4.482 50 0 HIAAMP CC[N@@H+](Cc1ccncc1)Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012308238 845867316 /nfs/dbraw/zinc/86/73/16/845867316.db2.gz MCNKDPHYQQZDLF-DEOSSOPVSA-N 2 1 411.590 4.108 50 0 HIAAMP CC[NH+](Cc1ccncc1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012308238 845867320 /nfs/dbraw/zinc/86/73/20/845867320.db2.gz MCNKDPHYQQZDLF-DEOSSOPVSA-N 2 1 411.590 4.108 50 0 HIAAMP CC[NH+](Cc1ccncc1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012308238 845867322 /nfs/dbraw/zinc/86/73/22/845867322.db2.gz MCNKDPHYQQZDLF-DEOSSOPVSA-N 2 1 411.590 4.108 50 0 HIAAMP CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000012453930 845872697 /nfs/dbraw/zinc/87/26/97/845872697.db2.gz YYHQQFFCYHMLMX-OAQYLSRUSA-N 2 1 413.631 4.494 50 0 HIAAMP CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1ccc(C[NH+](C)C)o1 ZINC000012574283 845877289 /nfs/dbraw/zinc/87/72/89/845877289.db2.gz LYHCOPNANNCLQU-UHFFFAOYSA-N 2 1 417.981 4.021 50 0 HIAAMP COCC[N@@H+](Cc1ccc(OC)c(C)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012585451 845877608 /nfs/dbraw/zinc/87/76/08/845877608.db2.gz APKZKSYCHKLABJ-HSZRJFAPSA-N 2 1 422.613 4.331 50 0 HIAAMP COCC[N@H+](Cc1ccc(OC)c(C)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012585451 845877609 /nfs/dbraw/zinc/87/76/09/845877609.db2.gz APKZKSYCHKLABJ-HSZRJFAPSA-N 2 1 422.613 4.331 50 0 HIAAMP COCC[NH+](Cc1ccc(OC)c(C)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012585451 845877611 /nfs/dbraw/zinc/87/76/11/845877611.db2.gz APKZKSYCHKLABJ-HSZRJFAPSA-N 2 1 422.613 4.331 50 0 HIAAMP COCC[NH+](Cc1ccc(OC)c(C)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012585451 845877614 /nfs/dbraw/zinc/87/76/14/845877614.db2.gz APKZKSYCHKLABJ-HSZRJFAPSA-N 2 1 422.613 4.331 50 0 HIAAMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226294 849988946 /nfs/dbraw/zinc/98/89/46/849988946.db2.gz DAVPVVFUANJKSV-FQEVSTJZSA-N 2 1 402.966 4.441 50 0 HIAAMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226294 849988964 /nfs/dbraw/zinc/98/89/64/849988964.db2.gz DAVPVVFUANJKSV-FQEVSTJZSA-N 2 1 402.966 4.441 50 0 HIAAMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226294 849988975 /nfs/dbraw/zinc/98/89/75/849988975.db2.gz DAVPVVFUANJKSV-FQEVSTJZSA-N 2 1 402.966 4.441 50 0 HIAAMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226294 849988987 /nfs/dbraw/zinc/98/89/87/849988987.db2.gz DAVPVVFUANJKSV-FQEVSTJZSA-N 2 1 402.966 4.441 50 0 HIAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000040720590 521998056 /nfs/dbraw/zinc/99/80/56/521998056.db2.gz FJMLEXUSLKWNCO-UHFFFAOYSA-N 2 1 401.309 4.419 50 0 HIAAMP CCn1c2ccccc2nc1C[N@@H+](C)CC1CC[NH+](CCc2ccccc2OC)CC1 ZINC000011820383 558283605 /nfs/dbraw/zinc/28/36/05/558283605.db2.gz MULNNVGUTLXXHZ-UHFFFAOYSA-N 2 1 420.601 4.451 50 0 HIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cccn3-c3cccnc3)CC2)cc1 ZINC000011821503 558284747 /nfs/dbraw/zinc/28/47/47/558284747.db2.gz OLIUOQWALBKTGP-UHFFFAOYSA-N 2 1 418.585 4.267 50 0 HIAAMP OC[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012049379 558313652 /nfs/dbraw/zinc/31/36/52/558313652.db2.gz CESVNUOWKPJCMA-AREMUKBSSA-N 2 1 410.577 4.150 50 0 HIAAMP OC[C@@]1(Cc2ccc(F)cc2)CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012049379 558313654 /nfs/dbraw/zinc/31/36/54/558313654.db2.gz CESVNUOWKPJCMA-AREMUKBSSA-N 2 1 410.577 4.150 50 0 HIAAMP C[C@H]([NH2+]CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000014242562 558645140 /nfs/dbraw/zinc/64/51/40/558645140.db2.gz AEPLNOSEDSRMRQ-FQEVSTJZSA-N 2 1 419.594 4.333 50 0 HIAAMP Cc1ccc(C)c(-n2cc(C[NH2+]CCC[NH+]3CCC(O)CC3)c(-c3ccccc3)n2)c1 ZINC000014962067 558684356 /nfs/dbraw/zinc/68/43/56/558684356.db2.gz YWUNICKYDYNUEK-UHFFFAOYSA-N 2 1 418.585 4.093 50 0 HIAAMP C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072305010 558757011 /nfs/dbraw/zinc/75/70/11/558757011.db2.gz PJRMFQGLSRNIKD-DHLKQENFSA-N 2 1 405.586 4.024 50 0 HIAAMP C[NH+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072305010 558757013 /nfs/dbraw/zinc/75/70/13/558757013.db2.gz PJRMFQGLSRNIKD-DHLKQENFSA-N 2 1 405.586 4.024 50 0 HIAAMP C[NH+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072305010 558757015 /nfs/dbraw/zinc/75/70/15/558757015.db2.gz PJRMFQGLSRNIKD-DHLKQENFSA-N 2 1 405.586 4.024 50 0 HIAAMP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+](Cc3ccc(Cl)s3)CC2)OC1=O ZINC000072429702 558979131 /nfs/dbraw/zinc/97/91/31/558979131.db2.gz RVBXLYOOTRPCCO-UHFFFAOYSA-N 2 1 414.015 4.166 50 0 HIAAMP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+](Cc3ccc(Cl)s3)CC2)OC1=O ZINC000072429702 558979132 /nfs/dbraw/zinc/97/91/32/558979132.db2.gz RVBXLYOOTRPCCO-UHFFFAOYSA-N 2 1 414.015 4.166 50 0 HIAAMP Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082138539 559040416 /nfs/dbraw/zinc/04/04/16/559040416.db2.gz MRFFDFQYWWITLN-RUZDIDTESA-N 2 1 419.613 4.030 50 0 HIAAMP Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000082138539 559040417 /nfs/dbraw/zinc/04/04/17/559040417.db2.gz MRFFDFQYWWITLN-RUZDIDTESA-N 2 1 419.613 4.030 50 0 HIAAMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cc(Br)cs2)C[C@H](C)O1 ZINC000095951439 568667699 /nfs/dbraw/zinc/66/76/99/568667699.db2.gz OKBCEXKKDKQCEQ-GASCZTMLSA-N 2 1 409.393 4.410 50 0 HIAAMP Cc1cccc(N2CCC([NH2+][C@H](C)C[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000095972260 568671744 /nfs/dbraw/zinc/67/17/44/568671744.db2.gz CSVJAVPREICFQF-UYAOXDASSA-N 2 1 402.583 4.127 50 0 HIAAMP COc1ccc(CC[N@H+](Cc2cccc(OC)c2OC)CC2CC[NH+](C)CC2)cc1 ZINC000012432386 845870033 /nfs/dbraw/zinc/87/00/33/845870033.db2.gz AUFNZIHUQOASEJ-UHFFFAOYSA-N 2 1 412.574 4.099 50 0 HIAAMP COc1ccc(CC[N@H+](Cc2c(C)nn(C(C)C)c2C)CC2CC[NH+](C)CC2)cc1 ZINC000012439738 845871088 /nfs/dbraw/zinc/87/10/88/845871088.db2.gz NHVLFPAQAJLGOT-UHFFFAOYSA-N 2 1 412.622 4.476 50 0 HIAAMP C[NH+](C[C@H](O)COc1cccc(C[N@H+](C)C(C2CC2)C2CC2)c1)C1CCCCC1 ZINC000012480314 845874417 /nfs/dbraw/zinc/87/44/17/845874417.db2.gz MAOQAPILLHKDGY-QHCPKHFHSA-N 2 1 400.607 4.311 50 0 HIAAMP C[NH+](Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1)C(C1CC1)C1CC1 ZINC000012480314 845874424 /nfs/dbraw/zinc/87/44/24/845874424.db2.gz MAOQAPILLHKDGY-QHCPKHFHSA-N 2 1 400.607 4.311 50 0 HIAAMP C[NH+](Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1)C(C1CC1)C1CC1 ZINC000012480314 845874434 /nfs/dbraw/zinc/87/44/34/845874434.db2.gz MAOQAPILLHKDGY-QHCPKHFHSA-N 2 1 400.607 4.311 50 0 HIAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)C/C=C/c2ccc(O)c(OC)c2)CC1 ZINC000012756015 845888964 /nfs/dbraw/zinc/88/89/64/845888964.db2.gz VAABLVVLXAEYGW-VOTSOKGWSA-N 2 1 424.585 4.309 50 0 HIAAMP Cc1nnc([C@@H]2CC3(C[N@H+]2CCc2ccccc2)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257187860 854233673 /nfs/dbraw/zinc/23/36/73/854233673.db2.gz COABDNARIUPWSG-QHCPKHFHSA-N 2 1 417.557 4.045 50 0 HIAAMP CC(C)c1nnc([C@H]2C[N@H+](C)CC23CC[NH+](Cc2cc(Cl)ccc2F)CC3)o1 ZINC000409419760 855484503 /nfs/dbraw/zinc/48/45/03/855484503.db2.gz ZVQMXTSGLFICQS-QGZVFWFLSA-N 2 1 406.933 4.297 50 0 HIAAMP CC(C)c1nnc([C@H]2C[N@@H+](C)CC23CC[NH+](Cc2cc(Cl)ccc2F)CC3)o1 ZINC000409419760 855484511 /nfs/dbraw/zinc/48/45/11/855484511.db2.gz ZVQMXTSGLFICQS-QGZVFWFLSA-N 2 1 406.933 4.297 50 0 HIAAMP COc1ccc(CC[N@H+](Cc2ccc3nsnc3c2)CC2CC[NH+](C)CC2)cc1 ZINC000020540827 523942159 /nfs/dbraw/zinc/94/21/59/523942159.db2.gz WBMVMUBWLDBSCF-UHFFFAOYSA-N 2 1 410.587 4.086 50 0 HIAAMP CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)cc1 ZINC000019720669 558258971 /nfs/dbraw/zinc/25/89/71/558258971.db2.gz XPCDCSADDXHTLW-OAQYLSRUSA-N 2 1 412.599 4.444 50 0 HIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000012317787 558381194 /nfs/dbraw/zinc/38/11/94/558381194.db2.gz RQVSSKFWSZDDBZ-UHFFFAOYSA-N 2 1 418.585 4.472 50 0 HIAAMP CC[N@@H+](Cc1ccc(COC)o1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012437972 558409815 /nfs/dbraw/zinc/40/98/15/558409815.db2.gz UWMUJBJTRBEKHA-NRFANRHFSA-N 2 1 400.563 4.211 50 0 HIAAMP CC[N@H+](Cc1ccc(COC)o1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012437972 558409817 /nfs/dbraw/zinc/40/98/17/558409817.db2.gz UWMUJBJTRBEKHA-NRFANRHFSA-N 2 1 400.563 4.211 50 0 HIAAMP CC[NH+](Cc1ccc(COC)o1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012437972 558409819 /nfs/dbraw/zinc/40/98/19/558409819.db2.gz UWMUJBJTRBEKHA-NRFANRHFSA-N 2 1 400.563 4.211 50 0 HIAAMP CC[NH+](Cc1ccc(COC)o1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012437972 558409821 /nfs/dbraw/zinc/40/98/21/558409821.db2.gz UWMUJBJTRBEKHA-NRFANRHFSA-N 2 1 400.563 4.211 50 0 HIAAMP c1cc2c(c(C[N@@H+](C[C@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)c1)OCO2 ZINC000012439455 558410781 /nfs/dbraw/zinc/41/07/81/558410781.db2.gz MYAHPKWXQVCGBS-JOCHJYFZSA-N 2 1 400.563 4.051 50 0 HIAAMP COc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012708767 558451039 /nfs/dbraw/zinc/45/10/39/558451039.db2.gz QQWPOQYVSDYXLX-XMMPIXPASA-N 2 1 416.606 4.339 50 0 HIAAMP Cc1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000019301054 558866472 /nfs/dbraw/zinc/86/64/72/558866472.db2.gz ZFDCVTKHWPRCNB-VWLOTQADSA-N 2 1 408.590 4.220 50 0 HIAAMP Cc1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000019301054 558866474 /nfs/dbraw/zinc/86/64/74/558866474.db2.gz ZFDCVTKHWPRCNB-VWLOTQADSA-N 2 1 408.590 4.220 50 0 HIAAMP CN1CC[NH+](CCc2ccc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3(C)C)cc2)CC1 ZINC000095992567 568677788 /nfs/dbraw/zinc/67/77/88/568677788.db2.gz IBHDWMCBTNUVKR-AREMUKBSSA-N 2 1 420.645 4.332 50 0 HIAAMP C[NH+]1CCN(CCc2ccc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3(C)C)cc2)CC1 ZINC000095992567 568677791 /nfs/dbraw/zinc/67/77/91/568677791.db2.gz IBHDWMCBTNUVKR-AREMUKBSSA-N 2 1 420.645 4.332 50 0 HIAAMP C[NH+]1CCN(CCc2ccc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3(C)C)cc2)CC1 ZINC000095992567 568677793 /nfs/dbraw/zinc/67/77/93/568677793.db2.gz IBHDWMCBTNUVKR-AREMUKBSSA-N 2 1 420.645 4.332 50 0 HIAAMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000005831053 568825103 /nfs/dbraw/zinc/82/51/03/568825103.db2.gz HUGDWXCEORTDQI-DEOSSOPVSA-N 2 1 410.602 4.286 50 0 HIAAMP