smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1OC[C@H]1C[N@H+](C[C@@H](O)COCC(F)(F)C(F)F)CCO1 ZINC000169681286 560765405 /nfs/dbraw/zinc/76/54/05/560765405.db2.gz OFQKOIRVSROBTQ-ZIAGYGMSSA-N 1 2 411.392 2.053 10 0 HEAELO COc1ccccc1OC[C@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)C(F)F)CCO1 ZINC000169681286 560765407 /nfs/dbraw/zinc/76/54/07/560765407.db2.gz OFQKOIRVSROBTQ-ZIAGYGMSSA-N 1 2 411.392 2.053 10 0 HEAELO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCc3ccccc3C2)cc1 ZINC000012717983 568918020 /nfs/dbraw/zinc/91/80/20/568918020.db2.gz VZLIREYNXIBDNE-QFIPXVFZSA-N 1 2 407.514 2.361 10 0 HEAELO CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCc3ccccc3C2)cc1 ZINC000012717983 568918022 /nfs/dbraw/zinc/91/80/22/568918022.db2.gz VZLIREYNXIBDNE-QFIPXVFZSA-N 1 2 407.514 2.361 10 0 HEAELO COC(=O)[C@@]1(O)CC[N@H+](C)C[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685960716 571314168 /nfs/dbraw/zinc/31/41/68/571314168.db2.gz AKCSAKQTHHCXIW-NZQKXSOJSA-N 1 2 410.470 2.133 10 0 HEAELO COC(=O)[C@@]1(O)CC[N@@H+](C)C[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685960716 571314169 /nfs/dbraw/zinc/31/41/69/571314169.db2.gz AKCSAKQTHHCXIW-NZQKXSOJSA-N 1 2 410.470 2.133 10 0 HEAELO O=C(NC[C@H]1CCCO1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036253919 569120163 /nfs/dbraw/zinc/12/01/63/569120163.db2.gz AIKUSBXNAQOFBT-NQIIRXRSSA-N 1 2 417.525 2.438 10 0 HEAELO Cn1cc(C(N)=O)c([C@H]2CCC[N@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)n1 ZINC000328607748 569419126 /nfs/dbraw/zinc/41/91/26/569419126.db2.gz WXRHJBXZRVBTLS-ZDUSSCGKSA-N 1 2 410.434 2.462 10 0 HEAELO Cn1cc(C(N)=O)c([C@H]2CCC[N@@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)n1 ZINC000328607748 569419127 /nfs/dbraw/zinc/41/91/27/569419127.db2.gz WXRHJBXZRVBTLS-ZDUSSCGKSA-N 1 2 410.434 2.462 10 0 HEAELO COC(=O)[C@]1(O)CC[N@H+](C)C[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685960718 571314178 /nfs/dbraw/zinc/31/41/78/571314178.db2.gz AKCSAKQTHHCXIW-REWPJTCUSA-N 1 2 410.470 2.133 10 0 HEAELO COC(=O)[C@]1(O)CC[N@@H+](C)C[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685960718 571314179 /nfs/dbraw/zinc/31/41/79/571314179.db2.gz AKCSAKQTHHCXIW-REWPJTCUSA-N 1 2 410.470 2.133 10 0 HEAELO COCC[NH+]1CCN(C(=O)c2nc(CCc3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000034911664 557476368 /nfs/dbraw/zinc/47/63/68/557476368.db2.gz KIWGOVAAYHKUOT-UHFFFAOYSA-N 1 2 419.529 2.457 10 0 HEAELO Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCOCC2)[N@H+](Cc2ccccc2F)C1 ZINC000064024093 558961860 /nfs/dbraw/zinc/96/18/60/558961860.db2.gz FONGKDBPIQNVAG-AEFFLSMTSA-N 1 2 404.511 2.153 10 0 HEAELO Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCOCC2)[N@@H+](Cc2ccccc2F)C1 ZINC000064024093 558961863 /nfs/dbraw/zinc/96/18/63/558961863.db2.gz FONGKDBPIQNVAG-AEFFLSMTSA-N 1 2 404.511 2.153 10 0 HEAELO COCCN(C)c1cnn([C@H]2CCCN(c3nc(C)[nH+]c4c3CCCC4)C2)c(=O)c1 ZINC000583621870 560777227 /nfs/dbraw/zinc/77/72/27/560777227.db2.gz HUUQOMBOGSZIFY-KRWDZBQOSA-N 1 2 412.538 2.145 10 0 HEAELO CNC(=O)C1=C(NNc2ccc(Cl)cc2)C[N@H+](C2CCCCC2)[C@H]1C(=O)NC ZINC000032106022 569357844 /nfs/dbraw/zinc/35/78/44/569357844.db2.gz ZEVRZJHFUOAENS-TWSXQGMXSA-N 1 2 405.930 2.233 10 0 HEAELO CNC(=O)C1=C(NNc2ccc(Cl)cc2)C[N@@H+](C2CCCCC2)[C@H]1C(=O)NC ZINC000032106022 569357845 /nfs/dbraw/zinc/35/78/45/569357845.db2.gz ZEVRZJHFUOAENS-TWSXQGMXSA-N 1 2 405.930 2.233 10 0 HEAELO CNC(=O)C1=C([NH2+]Nc2ccc(Cl)cc2)CN(C2CCCCC2)[C@H]1C(=O)NC ZINC000032106022 569357846 /nfs/dbraw/zinc/35/78/46/569357846.db2.gz ZEVRZJHFUOAENS-TWSXQGMXSA-N 1 2 405.930 2.233 10 0 HEAELO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)n1 ZINC000328603579 569417099 /nfs/dbraw/zinc/41/70/99/569417099.db2.gz GRLWLAMOSUKYFN-GJZGRUSLSA-N 1 2 402.499 2.329 10 0 HEAELO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)n1 ZINC000328603579 569417100 /nfs/dbraw/zinc/41/71/00/569417100.db2.gz GRLWLAMOSUKYFN-GJZGRUSLSA-N 1 2 402.499 2.329 10 0 HEAELO Cc1cc(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)no1 ZINC000328608454 571307359 /nfs/dbraw/zinc/30/73/59/571307359.db2.gz ZBPOZHSMHDJVMC-VGOFRKELSA-N 1 2 407.474 2.949 10 0 HEAELO Cc1cc(NC(=O)C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)no1 ZINC000328608454 571307360 /nfs/dbraw/zinc/30/73/60/571307360.db2.gz ZBPOZHSMHDJVMC-VGOFRKELSA-N 1 2 407.474 2.949 10 0 HEAELO Cc1ccc2c(cc3c(=O)n(CC(=O)N4CCN(c5cccc[nH+]5)CC4)nc(C)n32)c1 ZINC000006749663 132314709 /nfs/dbraw/zinc/31/47/09/132314709.db2.gz JOMFDNVBNQUNBL-UHFFFAOYSA-N 1 2 416.485 2.010 10 0 HEAELO COc1cc(C[NH+]2CCN(Cc3nc(C(=O)NCCC(C)C)co3)CC2)ccc1O ZINC000034678261 557366250 /nfs/dbraw/zinc/36/62/50/557366250.db2.gz LUWXMROCPOLYRY-UHFFFAOYSA-N 1 2 416.522 2.483 10 0 HEAELO O=c1cc(-c2cccnc2)nc(-c2ccc(C[NH+]3CC(N4CCOCC4)C3)cc2)[nH]1 ZINC000048319739 568438083 /nfs/dbraw/zinc/43/80/83/568438083.db2.gz JQWQGGBOKXSISV-UHFFFAOYSA-N 1 2 403.486 2.015 10 0 HEAELO CNC(=O)C1=C(NNc2ccc(Cl)cc2)C[N@H+](C2CCCCC2)[C@@H]1C(=O)NC ZINC000032106015 569357818 /nfs/dbraw/zinc/35/78/18/569357818.db2.gz ZEVRZJHFUOAENS-AZRIMCKBSA-N 1 2 405.930 2.233 10 0 HEAELO CNC(=O)C1=C(NNc2ccc(Cl)cc2)C[N@@H+](C2CCCCC2)[C@@H]1C(=O)NC ZINC000032106015 569357819 /nfs/dbraw/zinc/35/78/19/569357819.db2.gz ZEVRZJHFUOAENS-AZRIMCKBSA-N 1 2 405.930 2.233 10 0 HEAELO CNC(=O)C1=C([NH2+]Nc2ccc(Cl)cc2)CN(C2CCCCC2)[C@@H]1C(=O)NC ZINC000032106015 569357820 /nfs/dbraw/zinc/35/78/20/569357820.db2.gz ZEVRZJHFUOAENS-AZRIMCKBSA-N 1 2 405.930 2.233 10 0 HEAELO COc1ccc(Cn2ccc3nc(C)c(C(=O)N4CC[NH+](C)CC4)cc3c2=O)cc1 ZINC000020603361 524261708 /nfs/dbraw/zinc/26/17/08/524261708.db2.gz OLSYMHXSFPQQNO-UHFFFAOYSA-N 1 2 406.486 2.149 10 0 HEAELO COc1ccccc1OC[C@H]1C[N@H+](C[C@H](O)COCC(F)(F)C(F)F)CCO1 ZINC000034686972 558782960 /nfs/dbraw/zinc/78/29/60/558782960.db2.gz OFQKOIRVSROBTQ-UONOGXRCSA-N 1 2 411.392 2.053 10 0 HEAELO COc1ccccc1OC[C@H]1C[N@@H+](C[C@H](O)COCC(F)(F)C(F)F)CCO1 ZINC000034686972 558782961 /nfs/dbraw/zinc/78/29/61/558782961.db2.gz OFQKOIRVSROBTQ-UONOGXRCSA-N 1 2 411.392 2.053 10 0 HEAELO CCCc1nc(C[N@@H+]2CCC[C@@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)cs1 ZINC000583621788 560777088 /nfs/dbraw/zinc/77/70/88/560777088.db2.gz QTIJTKJSOBCAMZ-QGZVFWFLSA-N 1 2 417.579 2.451 10 0 HEAELO CCCc1nc(C[N@H+]2CCC[C@@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)cs1 ZINC000583621788 560777090 /nfs/dbraw/zinc/77/70/90/560777090.db2.gz QTIJTKJSOBCAMZ-QGZVFWFLSA-N 1 2 417.579 2.451 10 0 HEAELO COc1cccc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2ccc(C)cc2)c1OC ZINC000012706944 568917656 /nfs/dbraw/zinc/91/76/56/568917656.db2.gz YFPCXXJFYYVLGM-IBGZPJMESA-N 1 2 411.502 2.019 10 0 HEAELO COc1cccc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2ccc(C)cc2)c1OC ZINC000012706944 568917658 /nfs/dbraw/zinc/91/76/58/568917658.db2.gz YFPCXXJFYYVLGM-IBGZPJMESA-N 1 2 411.502 2.019 10 0 HEAELO COCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COC(C)C ZINC000036156567 569101522 /nfs/dbraw/zinc/10/15/22/569101522.db2.gz XQPLUMPHCDRJLY-CQSZACIVSA-N 1 2 409.552 2.098 10 0 HEAELO COCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)COC(C)C ZINC000036156567 569101523 /nfs/dbraw/zinc/10/15/23/569101523.db2.gz XQPLUMPHCDRJLY-CQSZACIVSA-N 1 2 409.552 2.098 10 0 HEAELO COc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cccc2[nH]ccc21 ZINC000020536130 524452293 /nfs/dbraw/zinc/45/22/93/524452293.db2.gz UQHVCEHGFOSTLZ-HXUWFJFHSA-N 1 2 406.486 2.183 10 0 HEAELO COc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cccc2[nH]ccc21 ZINC000020536130 524452300 /nfs/dbraw/zinc/45/23/00/524452300.db2.gz UQHVCEHGFOSTLZ-HXUWFJFHSA-N 1 2 406.486 2.183 10 0 HEAELO O=c1cc(N2CC[C@H](O)C2)cnn1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000328608587 569419600 /nfs/dbraw/zinc/41/96/00/569419600.db2.gz ZWTIGJLVTXICSK-AEFFLSMTSA-N 1 2 406.889 2.444 10 0 HEAELO O=c1cc(N2CC[C@H](O)C2)cnn1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000328608587 569419601 /nfs/dbraw/zinc/41/96/01/569419601.db2.gz ZWTIGJLVTXICSK-AEFFLSMTSA-N 1 2 406.889 2.444 10 0 HEAELO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccccn2)c(C)c1C ZINC000012436282 568722620 /nfs/dbraw/zinc/72/26/20/568722620.db2.gz FIULATSSTWDTKA-FQEVSTJZSA-N 1 2 410.518 2.056 10 0 HEAELO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccccn2)c(C)c1C ZINC000012436282 568722622 /nfs/dbraw/zinc/72/26/22/568722622.db2.gz FIULATSSTWDTKA-FQEVSTJZSA-N 1 2 410.518 2.056 10 0 HEAELO CC(C)(C)NC(=O)N1CC[NH+]([C@H](C(=O)NCc2ccccn2)C2CCCC2)CC1 ZINC000036310501 569131696 /nfs/dbraw/zinc/13/16/96/569131696.db2.gz XOIQBNBSINFPCG-IBGZPJMESA-N 1 2 401.555 2.382 10 0 HEAELO O=C(Cn1ncc2c1nc[nH+]c2N1CCOCC1)Nc1cccc(OC(F)(F)F)c1 ZINC000065295120 569218754 /nfs/dbraw/zinc/21/87/54/569218754.db2.gz JHGRCKYNVKJRIE-UHFFFAOYSA-N 1 2 422.367 2.200 10 0 HEAELO CCCc1nc(C[N@@H+]2CCC[C@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)cs1 ZINC000583621787 560777030 /nfs/dbraw/zinc/77/70/30/560777030.db2.gz QTIJTKJSOBCAMZ-KRWDZBQOSA-N 1 2 417.579 2.451 10 0 HEAELO CCCc1nc(C[N@H+]2CCC[C@H](n3ncc(N4CCC(O)CC4)cc3=O)C2)cs1 ZINC000583621787 560777033 /nfs/dbraw/zinc/77/70/33/560777033.db2.gz QTIJTKJSOBCAMZ-KRWDZBQOSA-N 1 2 417.579 2.451 10 0 HEAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2c(Cl)c(C(F)(F)F)nn2C)CC1 ZINC000020028544 568586460 /nfs/dbraw/zinc/58/64/60/568586460.db2.gz MKELRWBNHITZAD-UHFFFAOYSA-N 1 2 418.851 2.401 10 0 HEAELO O[C@@H](CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000024097737 527662965 /nfs/dbraw/zinc/66/29/65/527662965.db2.gz DFXKOYROIJQPTC-GOSISDBHSA-N 1 2 415.494 2.254 10 0 HEAELO COc1ccc(C[C@]2(CCC(=O)NCCCn3cc[nH+]c3)CCC(=O)N2)c(F)c1 ZINC000012099161 560889005 /nfs/dbraw/zinc/88/90/05/560889005.db2.gz FRAQYAOCTKFHJJ-NRFANRHFSA-N 1 2 402.470 2.209 10 0 HEAELO Cn1cc(CC[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c2cccnc21 ZINC000065164788 569189388 /nfs/dbraw/zinc/18/93/88/569189388.db2.gz CVEMFZLPUDBRAY-UHFFFAOYSA-N 1 2 420.485 2.401 10 0 HEAELO Cn1cc(C(N)=O)c([C@@H]2CCC[N@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)n1 ZINC000328607747 569419010 /nfs/dbraw/zinc/41/90/10/569419010.db2.gz WXRHJBXZRVBTLS-CYBMUJFWSA-N 1 2 410.434 2.462 10 0 HEAELO Cn1cc(C(N)=O)c([C@@H]2CCC[N@@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)n1 ZINC000328607747 569419012 /nfs/dbraw/zinc/41/90/12/569419012.db2.gz WXRHJBXZRVBTLS-CYBMUJFWSA-N 1 2 410.434 2.462 10 0 HEAELO O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000328608145 569419335 /nfs/dbraw/zinc/41/93/35/569419335.db2.gz YFTFARZJECBTEA-KRWDZBQOSA-N 1 2 403.914 2.090 10 0 HEAELO O=c1cc(N2CCC(O)CC2)cnn1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000328608145 569419336 /nfs/dbraw/zinc/41/93/36/569419336.db2.gz YFTFARZJECBTEA-KRWDZBQOSA-N 1 2 403.914 2.090 10 0 HEAELO COC(=O)[C@@]1(O)CC[N@H+](C)C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685960715 571314194 /nfs/dbraw/zinc/31/41/94/571314194.db2.gz AKCSAKQTHHCXIW-NFBKMPQASA-N 1 2 410.470 2.133 10 0 HEAELO COC(=O)[C@@]1(O)CC[N@@H+](C)C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685960715 571314195 /nfs/dbraw/zinc/31/41/95/571314195.db2.gz AKCSAKQTHHCXIW-NFBKMPQASA-N 1 2 410.470 2.133 10 0 HEAELO CC(C)OC[C@H](O)C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 ZINC000034691661 557372147 /nfs/dbraw/zinc/37/21/47/557372147.db2.gz BVFWSNSHBRMQNB-RTWAWAEBSA-N 1 2 408.514 2.165 10 0 HEAELO CC(C)OC[C@H](O)C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 ZINC000034691661 557372150 /nfs/dbraw/zinc/37/21/50/557372150.db2.gz BVFWSNSHBRMQNB-RTWAWAEBSA-N 1 2 408.514 2.165 10 0 HEAELO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccccn2)c(C)c1C ZINC000012436283 568722591 /nfs/dbraw/zinc/72/25/91/568722591.db2.gz FIULATSSTWDTKA-HXUWFJFHSA-N 1 2 410.518 2.056 10 0 HEAELO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccccn2)c(C)c1C ZINC000012436283 568722593 /nfs/dbraw/zinc/72/25/93/568722593.db2.gz FIULATSSTWDTKA-HXUWFJFHSA-N 1 2 410.518 2.056 10 0 HEAELO CCOC(=O)[C@@](NC(=O)c1ccccc1Cl)(N1CC[NH+](C)CC1)C(F)(F)F ZINC000020609047 558389250 /nfs/dbraw/zinc/38/92/50/558389250.db2.gz PDVHCYULEFLPPO-MRXNPFEDSA-N 1 2 407.820 2.139 10 0 HEAELO COc1ccc(C[C@@]2(CCC(=O)NCCCn3cc[nH+]c3)CCC(=O)N2)c(F)c1 ZINC000012099160 560889029 /nfs/dbraw/zinc/88/90/29/560889029.db2.gz FRAQYAOCTKFHJJ-OAQYLSRUSA-N 1 2 402.470 2.209 10 0 HEAELO CC(=O)NCC(=O)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]Cc1ccccc1 ZINC000065259906 569210948 /nfs/dbraw/zinc/21/09/48/569210948.db2.gz QZNAFAUKKYAKCV-HSZRJFAPSA-N 1 2 405.502 2.429 10 0 HEAELO COC(=O)c1sccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N2CCOCC2)C1 ZINC000328606994 569418683 /nfs/dbraw/zinc/41/86/83/569418683.db2.gz UMFNJUDSYRAVQF-AWEZNQCLSA-N 1 2 418.519 2.110 10 0 HEAELO COC(=O)c1sccc1C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N2CCOCC2)C1 ZINC000328606994 569418685 /nfs/dbraw/zinc/41/86/85/569418685.db2.gz UMFNJUDSYRAVQF-AWEZNQCLSA-N 1 2 418.519 2.110 10 0 HEAELO O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000328608146 569419232 /nfs/dbraw/zinc/41/92/32/569419232.db2.gz YFTFARZJECBTEA-QGZVFWFLSA-N 1 2 403.914 2.090 10 0 HEAELO O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000328608146 569419234 /nfs/dbraw/zinc/41/92/34/569419234.db2.gz YFTFARZJECBTEA-QGZVFWFLSA-N 1 2 403.914 2.090 10 0 HEAELO O[C@H](CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000024097738 526292948 /nfs/dbraw/zinc/29/29/48/526292948.db2.gz DFXKOYROIJQPTC-SFHVURJKSA-N 1 2 415.494 2.254 10 0 HEAELO Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCOCC2)[N@H+](Cc2cc(F)ccc2F)C1 ZINC000014993742 558695455 /nfs/dbraw/zinc/69/54/55/558695455.db2.gz RAOGRTJXSCCWCJ-AEFFLSMTSA-N 1 2 422.501 2.292 10 0 HEAELO Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCOCC2)[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000014993742 558695457 /nfs/dbraw/zinc/69/54/57/558695457.db2.gz RAOGRTJXSCCWCJ-AEFFLSMTSA-N 1 2 422.501 2.292 10 0 HEAELO Cc1ccc(N2CCN(C(=O)C[N@@H+]3CCc4ccccc4[C@H]3C(=O)N(C)C)CC2)cc1 ZINC000064611332 569071448 /nfs/dbraw/zinc/07/14/48/569071448.db2.gz KHKMUKTYQSNZAA-DEOSSOPVSA-N 1 2 420.557 2.331 10 0 HEAELO Cc1ccc(N2CCN(C(=O)C[N@H+]3CCc4ccccc4[C@H]3C(=O)N(C)C)CC2)cc1 ZINC000064611332 569071449 /nfs/dbraw/zinc/07/14/49/569071449.db2.gz KHKMUKTYQSNZAA-DEOSSOPVSA-N 1 2 420.557 2.331 10 0 HEAELO CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)n1 ZINC000328603578 569417041 /nfs/dbraw/zinc/41/70/41/569417041.db2.gz GRLWLAMOSUKYFN-CABCVRRESA-N 1 2 402.499 2.329 10 0 HEAELO CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)n1 ZINC000328603578 569417042 /nfs/dbraw/zinc/41/70/42/569417042.db2.gz GRLWLAMOSUKYFN-CABCVRRESA-N 1 2 402.499 2.329 10 0 HEAELO CC[NH+]1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(C)=O)cc43)o2)CC1 ZINC000006687666 132312976 /nfs/dbraw/zinc/31/29/76/132312976.db2.gz IHXINCPZMSWJAP-UHFFFAOYSA-N 1 2 411.458 2.186 10 0 HEAELO COC1(c2nc(-c3cnccn3)no2)CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000583615913 560776256 /nfs/dbraw/zinc/77/62/56/560776256.db2.gz NKLSDCTYGBBFNG-UHFFFAOYSA-N 1 2 412.425 2.242 10 0 HEAELO COc1ccccc1OC[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)C(F)F)CCO1 ZINC000169681285 560765414 /nfs/dbraw/zinc/76/54/14/560765414.db2.gz OFQKOIRVSROBTQ-KGLIPLIRSA-N 1 2 411.392 2.053 10 0 HEAELO COc1ccccc1OC[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)C(F)F)CCO1 ZINC000169681285 560765416 /nfs/dbraw/zinc/76/54/16/560765416.db2.gz OFQKOIRVSROBTQ-KGLIPLIRSA-N 1 2 411.392 2.053 10 0 HEAELO Cc1ccc(N2CCN(C(=O)C[N@@H+]3CCc4ccccc4[C@@H]3C(=O)N(C)C)CC2)cc1 ZINC000064611330 569071432 /nfs/dbraw/zinc/07/14/32/569071432.db2.gz KHKMUKTYQSNZAA-XMMPIXPASA-N 1 2 420.557 2.331 10 0 HEAELO Cc1ccc(N2CCN(C(=O)C[N@H+]3CCc4ccccc4[C@@H]3C(=O)N(C)C)CC2)cc1 ZINC000064611330 569071433 /nfs/dbraw/zinc/07/14/33/569071433.db2.gz KHKMUKTYQSNZAA-XMMPIXPASA-N 1 2 420.557 2.331 10 0 HEAELO CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)n1 ZINC000328603581 569417053 /nfs/dbraw/zinc/41/70/53/569417053.db2.gz GRLWLAMOSUKYFN-LSDHHAIUSA-N 1 2 402.499 2.329 10 0 HEAELO CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)n1 ZINC000328603581 569417054 /nfs/dbraw/zinc/41/70/54/569417054.db2.gz GRLWLAMOSUKYFN-LSDHHAIUSA-N 1 2 402.499 2.329 10 0 HEAELO CC(C)(C)CC(=O)NC[C@H]1OC[C@@H]([NH+](Cc2ccccn2)Cc2ccccn2)[C@@H]1O ZINC000077263697 291203250 /nfs/dbraw/zinc/20/32/50/291203250.db2.gz AMWPEDJIXGXTKY-SJBKTWHCSA-N 1 2 412.534 2.160 10 0 biogenic HEAELO Cc1ccc(CN2CC[N@H+](Cc3cnc(N4CCOCC4)s3)C[C@H]2CCO)cc1 ZINC000036385657 524457687 /nfs/dbraw/zinc/45/76/87/524457687.db2.gz JFTQDJZGLSNDMT-HXUWFJFHSA-N 1 2 416.591 2.357 10 0 HEAELO Cc1ccc(CN2CC[N@@H+](Cc3cnc(N4CCOCC4)s3)C[C@H]2CCO)cc1 ZINC000036385657 524457697 /nfs/dbraw/zinc/45/76/97/524457697.db2.gz JFTQDJZGLSNDMT-HXUWFJFHSA-N 1 2 416.591 2.357 10 0 HEAELO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)NCc1[nH]nc2c1CCC2 ZINC000011936392 559268838 /nfs/dbraw/zinc/26/88/38/559268838.db2.gz CZCICWOXXRRKCI-QFIPXVFZSA-N 1 2 417.513 2.059 10 0 HEAELO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1)NCc1[nH]nc2c1CCC2 ZINC000011936392 559268840 /nfs/dbraw/zinc/26/88/40/559268840.db2.gz CZCICWOXXRRKCI-QFIPXVFZSA-N 1 2 417.513 2.059 10 0 HEAELO CNC(=O)C1=C(NNc2ccc(Cl)cc2)C[N@H+](C2CCCCC2)[C@@H]1C(=O)NC ZINC000032106021 569357796 /nfs/dbraw/zinc/35/77/96/569357796.db2.gz ZEVRZJHFUOAENS-CESCLRPOSA-N 1 2 405.930 2.233 10 0 HEAELO CNC(=O)C1=C(NNc2ccc(Cl)cc2)C[N@@H+](C2CCCCC2)[C@@H]1C(=O)NC ZINC000032106021 569357798 /nfs/dbraw/zinc/35/77/98/569357798.db2.gz ZEVRZJHFUOAENS-CESCLRPOSA-N 1 2 405.930 2.233 10 0 HEAELO CNC(=O)C1=C([NH2+]Nc2ccc(Cl)cc2)CN(C2CCCCC2)[C@@H]1C(=O)NC ZINC000032106021 569357799 /nfs/dbraw/zinc/35/77/99/569357799.db2.gz ZEVRZJHFUOAENS-CESCLRPOSA-N 1 2 405.930 2.233 10 0 HEAELO O=c1cc(N2CC[C@H](O)C2)cnn1[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000328608588 569419567 /nfs/dbraw/zinc/41/95/67/569419567.db2.gz ZWTIGJLVTXICSK-WMZOPIPTSA-N 1 2 406.889 2.444 10 0 HEAELO O=c1cc(N2CC[C@H](O)C2)cnn1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000328608588 569419569 /nfs/dbraw/zinc/41/95/69/569419569.db2.gz ZWTIGJLVTXICSK-WMZOPIPTSA-N 1 2 406.889 2.444 10 0 HEAELO COc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1cccc2[nH]ccc21 ZINC000020536127 524453149 /nfs/dbraw/zinc/45/31/49/524453149.db2.gz UQHVCEHGFOSTLZ-FQEVSTJZSA-N 1 2 406.486 2.183 10 0 HEAELO COc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1cccc2[nH]ccc21 ZINC000020536127 524453160 /nfs/dbraw/zinc/45/31/60/524453160.db2.gz UQHVCEHGFOSTLZ-FQEVSTJZSA-N 1 2 406.486 2.183 10 0 HEAELO CCc1[nH]c2cc(NC(=S)NC(=O)OC)c(NC(=S)NC(=O)OC)cc2[nH+]1 ZINC000001894044 557294930 /nfs/dbraw/zinc/29/49/30/557294930.db2.gz XQZKHKPGIAVNRB-UHFFFAOYSA-N 1 2 410.481 2.231 10 0 HEAELO Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2O)CC1 ZINC000022056410 558460008 /nfs/dbraw/zinc/46/00/08/558460008.db2.gz JQTKNELUBGGUKI-IBGZPJMESA-N 1 2 413.518 2.005 10 0 in-vitro HEAELO CCn1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c2cc(OC)c(OC)cc2c1=O ZINC000004436291 536028855 /nfs/dbraw/zinc/02/88/55/536028855.db2.gz MIOIUMXHXXKJHD-UHFFFAOYSA-N 1 2 422.485 2.396 10 0 HEAELO COCCN(C)c1cnn([C@@H]2CCCN(c3nc(C)[nH+]c4c3CCCC4)C2)c(=O)c1 ZINC000583621871 560777183 /nfs/dbraw/zinc/77/71/83/560777183.db2.gz HUUQOMBOGSZIFY-QGZVFWFLSA-N 1 2 412.538 2.145 10 0 HEAELO COc1cccc(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2ccc(C)cc2)c1OC ZINC000012706948 568917695 /nfs/dbraw/zinc/91/76/95/568917695.db2.gz YFPCXXJFYYVLGM-LJQANCHMSA-N 1 2 411.502 2.019 10 0 HEAELO COc1cccc(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2ccc(C)cc2)c1OC ZINC000012706948 568917696 /nfs/dbraw/zinc/91/76/96/568917696.db2.gz YFPCXXJFYYVLGM-LJQANCHMSA-N 1 2 411.502 2.019 10 0 HEAELO O=C(NC[C@@H]1CCCO1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036253915 569120082 /nfs/dbraw/zinc/12/00/82/569120082.db2.gz AIKUSBXNAQOFBT-GHTZIAJQSA-N 1 2 417.525 2.438 10 0 HEAELO COC(=O)[C@]1(O)CC[N@H+](C)C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685960717 571314186 /nfs/dbraw/zinc/31/41/86/571314186.db2.gz AKCSAKQTHHCXIW-OFNKIYASSA-N 1 2 410.470 2.133 10 0 HEAELO COC(=O)[C@]1(O)CC[N@@H+](C)C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685960717 571314187 /nfs/dbraw/zinc/31/41/87/571314187.db2.gz AKCSAKQTHHCXIW-OFNKIYASSA-N 1 2 410.470 2.133 10 0 HEAELO COc1ccccc1OC[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)C(F)F)CCO1 ZINC000034686971 558783006 /nfs/dbraw/zinc/78/30/06/558783006.db2.gz OFQKOIRVSROBTQ-KBPBESRZSA-N 1 2 411.392 2.053 10 0 HEAELO COc1ccccc1OC[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)C(F)F)CCO1 ZINC000034686971 558783009 /nfs/dbraw/zinc/78/30/09/558783009.db2.gz OFQKOIRVSROBTQ-KBPBESRZSA-N 1 2 411.392 2.053 10 0 HEAELO CNC(=O)C1=C(NNc2ccc(Cl)cc2)C[N@H+](C2CCCCC2)[C@H]1C(=O)NC ZINC000032106018 569357754 /nfs/dbraw/zinc/35/77/54/569357754.db2.gz ZEVRZJHFUOAENS-FCOPOSKFSA-N 1 2 405.930 2.233 10 0 HEAELO CNC(=O)C1=C(NNc2ccc(Cl)cc2)C[N@@H+](C2CCCCC2)[C@H]1C(=O)NC ZINC000032106018 569357756 /nfs/dbraw/zinc/35/77/56/569357756.db2.gz ZEVRZJHFUOAENS-FCOPOSKFSA-N 1 2 405.930 2.233 10 0 HEAELO CNC(=O)C1=C([NH2+]Nc2ccc(Cl)cc2)CN(C2CCCCC2)[C@H]1C(=O)NC ZINC000032106018 569357758 /nfs/dbraw/zinc/35/77/58/569357758.db2.gz ZEVRZJHFUOAENS-FCOPOSKFSA-N 1 2 405.930 2.233 10 0 HEAELO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N2CCc3ccccc3C2)cc1 ZINC000012717985 568918067 /nfs/dbraw/zinc/91/80/67/568918067.db2.gz VZLIREYNXIBDNE-JOCHJYFZSA-N 1 2 407.514 2.361 10 0 HEAELO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N2CCc3ccccc3C2)cc1 ZINC000012717985 568918069 /nfs/dbraw/zinc/91/80/69/568918069.db2.gz VZLIREYNXIBDNE-JOCHJYFZSA-N 1 2 407.514 2.361 10 0 HEAELO O=C(NC[C@H]1CCCO1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036253921 569120038 /nfs/dbraw/zinc/12/00/38/569120038.db2.gz AIKUSBXNAQOFBT-WIYYLYMNSA-N 1 2 417.525 2.438 10 0 HEAELO NC(=O)c1ccccc1NC(=O)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000065237045 569202682 /nfs/dbraw/zinc/20/26/82/569202682.db2.gz OVVCXMNEBQYCIO-UHFFFAOYSA-N 1 2 408.506 2.421 10 0 HEAELO NC(=O)c1ccccc1NC(=O)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000065237045 569202684 /nfs/dbraw/zinc/20/26/84/569202684.db2.gz OVVCXMNEBQYCIO-UHFFFAOYSA-N 1 2 408.506 2.421 10 0 HEAELO O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000006806360 132317856 /nfs/dbraw/zinc/31/78/56/132317856.db2.gz GYSLVIKDYZCYMH-UHFFFAOYSA-N 1 2 409.515 2.490 10 0 HEAELO CC(C)OC[C@@H](O)C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 ZINC000169678566 569126016 /nfs/dbraw/zinc/12/60/16/569126016.db2.gz BVFWSNSHBRMQNB-LEWJYISDSA-N 1 2 408.514 2.165 10 0 HEAELO CC(C)OC[C@@H](O)C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 ZINC000169678566 569126017 /nfs/dbraw/zinc/12/60/17/569126017.db2.gz BVFWSNSHBRMQNB-LEWJYISDSA-N 1 2 408.514 2.165 10 0 HEAELO CC(C)OC[C@@H](O)C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 ZINC000034691662 557372060 /nfs/dbraw/zinc/37/20/60/557372060.db2.gz BVFWSNSHBRMQNB-SFTDATJTSA-N 1 2 408.514 2.165 10 0 HEAELO CC(C)OC[C@@H](O)C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 ZINC000034691662 557372062 /nfs/dbraw/zinc/37/20/62/557372062.db2.gz BVFWSNSHBRMQNB-SFTDATJTSA-N 1 2 408.514 2.165 10 0 HEAELO CCc1[nH+]c(C)nc(N2CCN(S(=O)(=O)CC)CC2)c1Cc1ccc(OC)cc1 ZINC000096318377 568727254 /nfs/dbraw/zinc/72/72/54/568727254.db2.gz UYKOHFCHTSMCDF-UHFFFAOYSA-N 1 2 418.563 2.419 10 0 HEAELO CC(=O)N1CCC(n2c(C)nc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2C)CC1 ZINC000065257392 569208690 /nfs/dbraw/zinc/20/86/90/569208690.db2.gz XQPLSJBBZRODEN-UHFFFAOYSA-N 1 2 410.522 2.041 10 0 HEAELO CC(C)(C)NC(=O)N1CC[NH+]([C@@H](C(=O)NCc2ccccn2)C2CCCC2)CC1 ZINC000036310502 569131649 /nfs/dbraw/zinc/13/16/49/569131649.db2.gz XOIQBNBSINFPCG-LJQANCHMSA-N 1 2 401.555 2.382 10 0 HEAELO COCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COC(C)C ZINC000036156569 569101597 /nfs/dbraw/zinc/10/15/97/569101597.db2.gz XQPLUMPHCDRJLY-AWEZNQCLSA-N 1 2 409.552 2.098 10 0 HEAELO COCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COC(C)C ZINC000036156569 569101598 /nfs/dbraw/zinc/10/15/98/569101598.db2.gz XQPLUMPHCDRJLY-AWEZNQCLSA-N 1 2 409.552 2.098 10 0 HEAELO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)NCc1[nH]nc2c1CCC2 ZINC000011936393 559268779 /nfs/dbraw/zinc/26/87/79/559268779.db2.gz CZCICWOXXRRKCI-JOCHJYFZSA-N 1 2 417.513 2.059 10 0 HEAELO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1)NCc1[nH]nc2c1CCC2 ZINC000011936393 559268781 /nfs/dbraw/zinc/26/87/81/559268781.db2.gz CZCICWOXXRRKCI-JOCHJYFZSA-N 1 2 417.513 2.059 10 0 HEAELO CC(C)OC[C@H](O)C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 ZINC000169678568 569126009 /nfs/dbraw/zinc/12/60/09/569126009.db2.gz BVFWSNSHBRMQNB-NHCUHLMSSA-N 1 2 408.514 2.165 10 0 HEAELO CC(C)OC[C@H](O)C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 ZINC000169678568 569126010 /nfs/dbraw/zinc/12/60/10/569126010.db2.gz BVFWSNSHBRMQNB-NHCUHLMSSA-N 1 2 408.514 2.165 10 0 HEAELO O=S(=O)(c1cc(-c2nnc(C3CC3)o2)co1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065246623 569205618 /nfs/dbraw/zinc/20/56/18/569205618.db2.gz BBXBXFIONCXAKN-UHFFFAOYSA-N 1 2 401.448 2.113 10 0 HEAELO Cc1c[nH]c(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)[nH+]1 ZINC000011935271 558299398 /nfs/dbraw/zinc/29/93/98/558299398.db2.gz ZVQBBHDPQOOJLY-MRXNPFEDSA-N 1 2 423.439 2.086 10 0 HEAELO Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@@H](O)COc2ccccc2O)CC1 ZINC000022056405 558460027 /nfs/dbraw/zinc/46/00/27/558460027.db2.gz JQTKNELUBGGUKI-LJQANCHMSA-N 1 2 413.518 2.005 10 0 in-vitro HEAELO Cc1ccc(Cc2c(C)nc3c(C(=O)NCC[NH+]4CCOCC4)cnn3c2C)cc1 ZINC000020677945 568639834 /nfs/dbraw/zinc/63/98/34/568639834.db2.gz MMHBEJQYYVDSCK-UHFFFAOYSA-N 1 2 407.518 2.307 10 0 HEAELO CC(=O)NCC(=O)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]Cc1ccccc1 ZINC000065259907 569210891 /nfs/dbraw/zinc/21/08/91/569210891.db2.gz QZNAFAUKKYAKCV-QHCPKHFHSA-N 1 2 405.502 2.429 10 0 HEAELO CC(C)c1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)n1 ZINC000328603580 569417034 /nfs/dbraw/zinc/41/70/34/569417034.db2.gz GRLWLAMOSUKYFN-HUUCEWRRSA-N 1 2 402.499 2.329 10 0 HEAELO CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N3CCOCC3)C2)n1 ZINC000328603580 569417036 /nfs/dbraw/zinc/41/70/36/569417036.db2.gz GRLWLAMOSUKYFN-HUUCEWRRSA-N 1 2 402.499 2.329 10 0 HEAELO COCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000328604483 569417518 /nfs/dbraw/zinc/41/75/18/569417518.db2.gz KEDYGQDRCHDJFT-JXFKEZNVSA-N 1 2 415.538 2.439 10 0 HEAELO Cc1c[nH]c(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)[nH+]1 ZINC000011935270 558299485 /nfs/dbraw/zinc/29/94/85/558299485.db2.gz ZVQBBHDPQOOJLY-INIZCTEOSA-N 1 2 423.439 2.086 10 0 HEAELO CCOC(=O)[C@](NC(=O)c1ccccc1Cl)(N1CC[NH+](C)CC1)C(F)(F)F ZINC000020609048 558389173 /nfs/dbraw/zinc/38/91/73/558389173.db2.gz PDVHCYULEFLPPO-INIZCTEOSA-N 1 2 407.820 2.139 10 0 HEAELO O=C(NC[C@@H]1CCCO1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036253914 569120157 /nfs/dbraw/zinc/12/01/57/569120157.db2.gz AIKUSBXNAQOFBT-RXVVDRJESA-N 1 2 417.525 2.438 10 0 HEAELO COC(=O)c1sccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N2CCOCC2)C1 ZINC000328607095 569418654 /nfs/dbraw/zinc/41/86/54/569418654.db2.gz UMFNJUDSYRAVQF-CQSZACIVSA-N 1 2 418.519 2.110 10 0 HEAELO COC(=O)c1sccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N2CCOCC2)C1 ZINC000328607095 569418655 /nfs/dbraw/zinc/41/86/55/569418655.db2.gz UMFNJUDSYRAVQF-CQSZACIVSA-N 1 2 418.519 2.110 10 0 HEAELO