smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c(NS(=O)(=O)c2cccc(F)c2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](CCCc2ccccc2)C1 ZINC000003841485 194363507 /nfs/dbraw/zinc/36/35/07/194363507.db2.gz DQFXPCLYGDSKEF-LEWJYISDSA-N 1 1 481.593 3.840 40 0 biogenic,in-vitro JHABMO O=C(C[NH+]1CCC(c2nc(-c3ccc(Cl)cc3)n[nH]2)CC1)Nc1ccccc1N1CCOCC1 ZINC000013565346 526730114 /nfs/dbraw/zinc/73/01/14/526730114.db2.gz FTOGQCYXJWOTMX-UHFFFAOYSA-N 1 1 481.000 3.780 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000020494688 527370094 /nfs/dbraw/zinc/37/00/94/527370094.db2.gz HOJNCUJGWVWDAD-UHFFFAOYSA-N 1 1 460.559 3.692 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC000022511244 527371790 /nfs/dbraw/zinc/37/17/90/527371790.db2.gz KSBBUHXYWSUHHI-UHFFFAOYSA-N 1 1 452.580 3.594 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000020461542 527386950 /nfs/dbraw/zinc/38/69/50/527386950.db2.gz HIROAHGXPVTKCL-UHFFFAOYSA-N 1 1 452.580 3.594 40 0 JHABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006198266 554519496 /nfs/dbraw/zinc/51/94/96/554519496.db2.gz UFBBNMJYGGUJDR-HSZRJFAPSA-N 1 1 464.614 3.859 40 0 JHABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006198266 554519497 /nfs/dbraw/zinc/51/94/97/554519497.db2.gz UFBBNMJYGGUJDR-HSZRJFAPSA-N 1 1 464.614 3.859 40 0 JHABMO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1Cl ZINC000008831719 554723337 /nfs/dbraw/zinc/72/33/37/554723337.db2.gz PVYZOABJJDPDFQ-UHFFFAOYSA-N 1 1 453.395 3.881 40 0 JHABMO COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c(F)c1F ZINC000008898233 554788654 /nfs/dbraw/zinc/78/86/54/554788654.db2.gz AUIFVVJZJFDKNQ-UHFFFAOYSA-N 1 1 490.910 3.784 40 0 JHABMO Cc1cc2cc(C[N@@H+](CCCO)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498957 555426412 /nfs/dbraw/zinc/42/64/12/555426412.db2.gz WRLJPUZVLLHRFQ-SANMLTNESA-N 1 1 488.636 3.956 40 0 JHABMO Cc1cc2cc(C[N@H+](CCCO)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498957 555426414 /nfs/dbraw/zinc/42/64/14/555426414.db2.gz WRLJPUZVLLHRFQ-SANMLTNESA-N 1 1 488.636 3.956 40 0 JHABMO Cc1ccc2cc(C[N@@H+](CCCO)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1C ZINC000013499151 555428430 /nfs/dbraw/zinc/42/84/30/555428430.db2.gz QJNHFNUFUDTYBV-VWLOTQADSA-N 1 1 474.609 3.761 40 0 JHABMO Cc1ccc2cc(C[N@H+](CCCO)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1C ZINC000013499151 555428431 /nfs/dbraw/zinc/42/84/31/555428431.db2.gz QJNHFNUFUDTYBV-VWLOTQADSA-N 1 1 474.609 3.761 40 0 JHABMO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500109 555436533 /nfs/dbraw/zinc/43/65/33/555436533.db2.gz YBEKBTZDJBSDDE-OAQYLSRUSA-N 1 1 466.586 3.672 40 0 JHABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501111 555447681 /nfs/dbraw/zinc/44/76/81/555447681.db2.gz YSSOYGPKSNYNDR-VXKWHMMOSA-N 1 1 450.587 3.898 40 0 JHABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501111 555447683 /nfs/dbraw/zinc/44/76/83/555447683.db2.gz YSSOYGPKSNYNDR-VXKWHMMOSA-N 1 1 450.587 3.898 40 0 JHABMO CCOc1cc(NC(=S)NCCC[NH+]2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1 ZINC000013556185 555494047 /nfs/dbraw/zinc/49/40/47/555494047.db2.gz JITOMAPYXCHKAW-UHFFFAOYSA-N 1 1 486.638 3.745 40 0 JHABMO Cc1ccc(Cl)cc1N(CCCC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000013680165 555572347 /nfs/dbraw/zinc/57/23/47/555572347.db2.gz KKURFTSJKLYLRK-UHFFFAOYSA-N 1 1 464.031 3.539 40 0 JHABMO CC[C@H](c1nnnn1CCOC)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065294 556263620 /nfs/dbraw/zinc/26/36/20/556263620.db2.gz RMKOQFIVIBSTGU-XMMPIXPASA-N 1 1 474.609 3.974 40 0 JHABMO CC[C@H](c1nnnn1CCOC)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065294 556263624 /nfs/dbraw/zinc/26/36/24/556263624.db2.gz RMKOQFIVIBSTGU-XMMPIXPASA-N 1 1 474.609 3.974 40 0 JHABMO COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000030847873 556376077 /nfs/dbraw/zinc/37/60/77/556376077.db2.gz UZIIESPWXRIRFF-UHFFFAOYSA-N 1 1 482.606 3.540 40 0 JHABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000019822665 556392499 /nfs/dbraw/zinc/39/24/99/556392499.db2.gz FEQKHYMYBMDXDP-UHFFFAOYSA-N 1 1 456.656 3.568 40 0 JHABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000033937011 569638412 /nfs/dbraw/zinc/63/84/12/569638412.db2.gz INOZRACELRVJBR-GGAORHGYSA-N 1 1 466.586 3.598 40 0 JHABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000033937011 569638413 /nfs/dbraw/zinc/63/84/13/569638413.db2.gz INOZRACELRVJBR-GGAORHGYSA-N 1 1 466.586 3.598 40 0 JHABMO COc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095232848 569722181 /nfs/dbraw/zinc/72/21/81/569722181.db2.gz OPRYDMUKQBPRFN-SANMLTNESA-N 1 1 454.578 3.637 40 0 JHABMO COc1cccc(-c2cccc3c([C@H]4CN(S(=O)(=O)c5cccs5)CCO4)[nH+]cn32)c1 ZINC000096155867 569736712 /nfs/dbraw/zinc/73/67/12/569736712.db2.gz FMMVWPIUOLRETM-HXUWFJFHSA-N 1 1 455.561 3.834 40 0 JHABMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cc(C)cc2C ZINC000101351974 569794114 /nfs/dbraw/zinc/79/41/14/569794114.db2.gz UJPDBNVSNRGNTJ-CXLKWVGHSA-N 1 1 479.964 3.705 40 0 JHABMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000224495202 569946290 /nfs/dbraw/zinc/94/62/90/569946290.db2.gz TUQMOAKSANIZNZ-UHFFFAOYSA-N 1 1 496.633 3.613 40 0 JHABMO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)c2C)cc1 ZINC000224561868 569948485 /nfs/dbraw/zinc/94/84/85/569948485.db2.gz DUHRTHMYZXFQMC-UHFFFAOYSA-N 1 1 493.629 3.866 40 0 JHABMO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)ccc32)cc1 ZINC000225847283 570024569 /nfs/dbraw/zinc/02/45/69/570024569.db2.gz IHBLSYMSGUGLQD-UHFFFAOYSA-N 1 1 475.614 3.704 40 0 JHABMO CS(=O)(=O)N[C@H](CC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(F)cc1 ZINC000225944346 570029097 /nfs/dbraw/zinc/02/90/97/570029097.db2.gz BOSPVKHJIUYSPS-HXUWFJFHSA-N 1 1 478.977 3.626 40 0 JHABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000226082557 570036534 /nfs/dbraw/zinc/03/65/34/570036534.db2.gz MDHAKTVVSXLIEO-INIZCTEOSA-N 1 1 490.988 3.656 40 0 JHABMO CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CCc1nc2ccc(Cl)cc2[nH]1 ZINC000257205787 570109614 /nfs/dbraw/zinc/10/96/14/570109614.db2.gz BANUJMFUGVLDBZ-RUZDIDTESA-N 1 1 478.984 3.582 40 0 JHABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000257220453 570114257 /nfs/dbraw/zinc/11/42/57/570114257.db2.gz DKWQBKKEWWRRAS-AZGAKELHSA-N 1 1 452.551 3.627 40 0 JHABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000257220453 570114258 /nfs/dbraw/zinc/11/42/58/570114258.db2.gz DKWQBKKEWWRRAS-AZGAKELHSA-N 1 1 452.551 3.627 40 0 JHABMO CC[C@H](C)C[N@H+]1CCO[C@@](COc2cc(C)c(Cl)c(C)c2)(CC(=O)N2CCC(O)CC2)C1 ZINC000257225518 570115771 /nfs/dbraw/zinc/11/57/71/570115771.db2.gz FGNZMCAEEZSCPC-BVZFJXPGSA-N 1 1 467.050 3.826 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 ZINC000257264185 570127579 /nfs/dbraw/zinc/12/75/79/570127579.db2.gz LTGLRNNBVDHRDN-SANMLTNESA-N 1 1 470.013 3.806 40 0 JHABMO COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCCC[NH+]3CCOCC3)CCOCC2)c1 ZINC000257266987 570128501 /nfs/dbraw/zinc/12/85/01/570128501.db2.gz MFKQHGQSDHOASH-UHFFFAOYSA-N 1 1 470.585 3.679 40 0 JHABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2cccc(CNC(=O)c3ccccc3)c2)cc1 ZINC000257268157 570128941 /nfs/dbraw/zinc/12/89/41/570128941.db2.gz MKMJBJLJISWRTQ-RRPNLBNLSA-N 1 1 471.601 3.629 40 0 JHABMO C[N@@H+](CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)c(Cl)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000257287721 570135053 /nfs/dbraw/zinc/13/50/53/570135053.db2.gz PRGAEJFCZWFWJQ-CZYKHXBRSA-N 1 1 479.980 3.823 40 0 JHABMO CC(=O)Nc1cc(NC(=O)CN2CC[N@H+](C)C[C@@H](Cc3cncc4ccccc43)C2)ccc1C ZINC000257305149 570139871 /nfs/dbraw/zinc/13/98/71/570139871.db2.gz SOQOBISPMPATCU-OAQYLSRUSA-N 1 1 459.594 3.546 40 0 JHABMO Cc1noc(C)c1COc1ccc(C[N@H+]2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257307858 570140780 /nfs/dbraw/zinc/14/07/80/570140780.db2.gz TUKKHBVWSNYICT-MUUNZHRXSA-N 1 1 476.621 3.629 40 0 JHABMO COCCNc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)cc2ccccc21 ZINC000257343454 570151430 /nfs/dbraw/zinc/15/14/30/570151430.db2.gz ZTCHKPAHRUZVHF-HXUWFJFHSA-N 1 1 476.577 3.882 40 0 JHABMO COCCNc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)cc2ccccc21 ZINC000257343454 570151432 /nfs/dbraw/zinc/15/14/32/570151432.db2.gz ZTCHKPAHRUZVHF-HXUWFJFHSA-N 1 1 476.577 3.882 40 0 JHABMO O=C([C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408556767 570197665 /nfs/dbraw/zinc/19/76/65/570197665.db2.gz JRQSEWGSFINWIA-VWLOTQADSA-N 1 1 477.630 3.585 40 0 JHABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000001338103 194095706 /nfs/dbraw/zinc/09/57/06/194095706.db2.gz YSSOYGPKSNYNDR-YADHBBJMSA-N 1 1 450.587 3.898 40 0 JHABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000001338103 194095708 /nfs/dbraw/zinc/09/57/08/194095708.db2.gz YSSOYGPKSNYNDR-YADHBBJMSA-N 1 1 450.587 3.898 40 0 JHABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccc(OC)cc1 ZINC000001352718 194099653 /nfs/dbraw/zinc/09/96/53/194099653.db2.gz GGZBUZKFFZEGAW-FQEVSTJZSA-N 1 1 478.549 3.784 40 0 JHABMO COc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+](C)C3CCCCC3)c(=O)[nH]c2cc1OC ZINC000057594979 195352426 /nfs/dbraw/zinc/35/24/26/195352426.db2.gz DBBRNBXJMSCPFH-VWLOTQADSA-N 1 1 488.592 3.934 40 0 JHABMO COc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+](C)C3CCCCC3)c(=O)[nH]c2cc1OC ZINC000057594979 195352429 /nfs/dbraw/zinc/35/24/29/195352429.db2.gz DBBRNBXJMSCPFH-VWLOTQADSA-N 1 1 488.592 3.934 40 0 JHABMO CCOC(=O)N1CC[NH+](C[C@@H](O)[C@](C)(O)CC[C@H]2[C@](C)(O)CC[C@H]3C(C)(C)CCC[C@]23C)CC1 ZINC000059101553 195387424 /nfs/dbraw/zinc/38/74/24/195387424.db2.gz XBBMIXBNQRCQLP-HSBMMNIVSA-N 1 1 482.706 3.646 40 0 JHABMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000096402881 130079262 /nfs/dbraw/zinc/07/92/62/130079262.db2.gz YLUQWJAHLLAJBJ-IZXSZHORSA-N 1 1 451.526 3.888 40 0 JHABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4C4CCN(C(C)=O)CC4)n3)cn2)cc1 ZINC000049155170 523746953 /nfs/dbraw/zinc/74/69/53/523746953.db2.gz MDANLFYDPQVEBP-QFIPXVFZSA-N 1 1 490.564 3.540 40 0 biogenic,in-vitro JHABMO Cc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccccc3)cc2c1 ZINC000026100013 526096170 /nfs/dbraw/zinc/09/61/70/526096170.db2.gz ZSWKZNBSIBKOBC-UHFFFAOYSA-N 1 1 450.608 3.758 40 0 JHABMO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3ccc(OC)cc3[nH]c2=O)C2CCCCC2)cc1 ZINC000000927650 553864617 /nfs/dbraw/zinc/86/46/17/553864617.db2.gz VWPIAIHTGDCGLC-UHFFFAOYSA-N 1 1 488.592 3.915 40 0 JHABMO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3ccc(OC)cc3[nH]c2=O)C2CCCCC2)cc1 ZINC000000927650 553864621 /nfs/dbraw/zinc/86/46/21/553864621.db2.gz VWPIAIHTGDCGLC-UHFFFAOYSA-N 1 1 488.592 3.915 40 0 JHABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](O[C@@H]2CCCCO2)[C@@H]1OC ZINC000005063185 554486053 /nfs/dbraw/zinc/48/60/53/554486053.db2.gz VTHDACIJKLUNPX-CISVWUEISA-N 1 1 498.620 3.832 40 0 JHABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](O[C@@H]2CCCCO2)[C@@H]1OC ZINC000005063185 554486055 /nfs/dbraw/zinc/48/60/55/554486055.db2.gz VTHDACIJKLUNPX-CISVWUEISA-N 1 1 498.620 3.832 40 0 JHABMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)CC2 ZINC000008762943 554662900 /nfs/dbraw/zinc/66/29/00/554662900.db2.gz KVFNXTACKHFLKO-JYPROHJWSA-N 1 1 455.595 3.908 40 0 JHABMO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1nnnn1CCc1ccccc1)C1CCCCC1)OCO3 ZINC000013494302 555403681 /nfs/dbraw/zinc/40/36/81/555403681.db2.gz ZOYWIZOZGHOMDD-UHFFFAOYSA-N 1 1 486.576 3.821 40 0 JHABMO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](Cc1nnnn1CCc1ccccc1)C1CCCCC1)OCO3 ZINC000013494302 555403686 /nfs/dbraw/zinc/40/36/86/555403686.db2.gz ZOYWIZOZGHOMDD-UHFFFAOYSA-N 1 1 486.576 3.821 40 0 JHABMO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc4c(c3)OCO4)[NH+]3CCCCCC3)c(=O)[nH]c12 ZINC000013496079 555410816 /nfs/dbraw/zinc/41/08/16/555410816.db2.gz XSNGKLUAGXOZHA-DEOSSOPVSA-N 1 1 472.549 3.565 40 0 JHABMO O=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019937284 555554291 /nfs/dbraw/zinc/55/42/91/555554291.db2.gz UDQVBZWMQYSTLL-UHFFFAOYSA-N 1 1 450.542 3.984 40 0 JHABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2Cl)cc1C ZINC000013669012 555558347 /nfs/dbraw/zinc/55/83/47/555558347.db2.gz ZAFXDBXVGIOLCJ-UHFFFAOYSA-N 1 1 450.004 3.973 40 0 JHABMO COc1ccccc1NC(=O)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000020109192 555644942 /nfs/dbraw/zinc/64/49/42/555644942.db2.gz 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450.587 3.898 40 0 JHABMO COc1ccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c(OC)c1 ZINC000001380622 194113194 /nfs/dbraw/zinc/11/31/94/194113194.db2.gz HIKSVYKMIHLBBI-UHFFFAOYSA-N 1 1 463.460 3.743 40 0 JHABMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2Cl)c1C ZINC000013673062 524689190 /nfs/dbraw/zinc/68/91/90/524689190.db2.gz RVXUBFPMDXIFSX-UHFFFAOYSA-N 1 1 450.004 3.973 40 0 JHABMO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020494700 526699194 /nfs/dbraw/zinc/69/91/94/526699194.db2.gz CAVWBPOYVMPISR-UHFFFAOYSA-N 1 1 498.048 3.875 40 0 JHABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccccc3)cc2c1 ZINC000000879398 553815616 /nfs/dbraw/zinc/81/56/16/553815616.db2.gz RFNHDVDIYOJJSZ-UHFFFAOYSA-N 1 1 480.634 3.848 40 0 JHABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccn(COc3ccc(Br)cc3Cl)n1)C2 ZINC000002797910 554351202 /nfs/dbraw/zinc/35/12/02/554351202.db2.gz YJUUKFVBLBLAGM-GOOCMWNKSA-N 1 1 453.768 3.691 40 0 JHABMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000009331579 555101367 /nfs/dbraw/zinc/10/13/67/555101367.db2.gz HZWRDYGRQQRKPO-RSOWOLOUSA-N 1 1 486.355 3.742 40 0 JHABMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000009331579 555101368 /nfs/dbraw/zinc/10/13/68/555101368.db2.gz HZWRDYGRQQRKPO-RSOWOLOUSA-N 1 1 486.355 3.742 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495814 555409538 /nfs/dbraw/zinc/40/95/38/555409538.db2.gz CFTYDNSBINOJJA-HSZRJFAPSA-N 1 1 488.592 3.582 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495814 555409540 /nfs/dbraw/zinc/40/95/40/555409540.db2.gz CFTYDNSBINOJJA-HSZRJFAPSA-N 1 1 488.592 3.582 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc12 ZINC000013499201 555429179 /nfs/dbraw/zinc/42/91/79/555429179.db2.gz CZVLWANUIYSWQW-VWLOTQADSA-N 1 1 492.599 3.901 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc12 ZINC000013499201 555429182 /nfs/dbraw/zinc/42/91/82/555429182.db2.gz CZVLWANUIYSWQW-VWLOTQADSA-N 1 1 492.599 3.901 40 0 JHABMO CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500185 555437718 /nfs/dbraw/zinc/43/77/18/555437718.db2.gz FKMOYSRSRTYOCH-HSZRJFAPSA-N 1 1 496.612 3.762 40 0 JHABMO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500185 555437721 /nfs/dbraw/zinc/43/77/21/555437721.db2.gz FKMOYSRSRTYOCH-HSZRJFAPSA-N 1 1 496.612 3.762 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500672 555442567 /nfs/dbraw/zinc/44/25/67/555442567.db2.gz SLFGHWIBSTZOOS-XMMPIXPASA-N 1 1 496.612 3.618 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501079 555447273 /nfs/dbraw/zinc/44/72/73/555447273.db2.gz DOILVLRGGRPXEN-NRFANRHFSA-N 1 1 466.586 3.590 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501079 555447275 /nfs/dbraw/zinc/44/72/75/555447275.db2.gz DOILVLRGGRPXEN-NRFANRHFSA-N 1 1 466.586 3.590 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501078 555447330 /nfs/dbraw/zinc/44/73/30/555447330.db2.gz DOILVLRGGRPXEN-OAQYLSRUSA-N 1 1 466.586 3.590 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501078 555447331 /nfs/dbraw/zinc/44/73/31/555447331.db2.gz DOILVLRGGRPXEN-OAQYLSRUSA-N 1 1 466.586 3.590 40 0 JHABMO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)C1 ZINC000019933137 555550510 /nfs/dbraw/zinc/55/05/10/555550510.db2.gz HRUWUFJIDCCPFK-SFHVURJKSA-N 1 1 465.579 3.762 40 0 JHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)C1 ZINC000019933137 555550516 /nfs/dbraw/zinc/55/05/16/555550516.db2.gz HRUWUFJIDCCPFK-SFHVURJKSA-N 1 1 465.579 3.762 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000019934071 555551241 /nfs/dbraw/zinc/55/12/41/555551241.db2.gz VUQWSVDYPCQRPU-UHFFFAOYSA-N 1 1 454.596 3.660 40 0 JHABMO COc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940384 555558465 /nfs/dbraw/zinc/55/84/65/555558465.db2.gz ABHQIHHIFKBBOL-AREMUKBSSA-N 1 1 499.619 3.546 40 0 JHABMO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CC[N@H+]4CCC[C@@H]4C3)c(=O)[nH]c2c1 ZINC000020083549 555631330 /nfs/dbraw/zinc/63/13/30/555631330.db2.gz YFUFSDDIJJIUDO-HYBUGGRVSA-N 1 1 461.614 3.506 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000020105293 555638749 /nfs/dbraw/zinc/63/87/49/555638749.db2.gz UJPWSUJWKUDXLQ-UHFFFAOYSA-N 1 1 487.025 3.692 40 0 JHABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccccc3OC)cc2c1 ZINC000020109228 555644978 /nfs/dbraw/zinc/64/49/78/555644978.db2.gz AUHFREHVUZSITN-UHFFFAOYSA-N 1 1 494.592 3.692 40 0 JHABMO Fc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929286 555981277 /nfs/dbraw/zinc/98/12/77/555981277.db2.gz KJCWCOIHYAIIQZ-RUZDIDTESA-N 1 1 460.532 3.907 40 0 JHABMO COc1ccc(Cn2nnnc2[C@@H](c2ccc(OC)cc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929522 555982107 /nfs/dbraw/zinc/98/21/07/555982107.db2.gz YCXFMVXRYWODOW-HHHXNRCGSA-N 1 1 484.604 3.646 40 0 JHABMO COc1cccc([C@@H](c2nnnn2CCC(C)C)N2CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000022929824 555982473 /nfs/dbraw/zinc/98/24/73/555982473.db2.gz FYNWRPGWOSNEII-DEOSSOPVSA-N 1 1 464.614 3.644 40 0 JHABMO COc1ccc(CCn2nnnc2[C@H](CC(C)C)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022929981 555983164 /nfs/dbraw/zinc/98/31/64/555983164.db2.gz VEARZBYSZXFPRO-DEOSSOPVSA-N 1 1 478.641 3.838 40 0 JHABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063855 556261238 /nfs/dbraw/zinc/26/12/38/556261238.db2.gz SLTYHYXAMOVEGT-GMAHTHKFSA-N 1 1 450.587 3.898 40 0 JHABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013063855 556261239 /nfs/dbraw/zinc/26/12/39/556261239.db2.gz SLTYHYXAMOVEGT-GMAHTHKFSA-N 1 1 450.587 3.898 40 0 JHABMO Cc1cccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccccc3)c(=O)[nH]c12 ZINC000019822741 556392470 /nfs/dbraw/zinc/39/24/70/556392470.db2.gz LQCZSQUHTKNJFK-UHFFFAOYSA-N 1 1 450.608 3.758 40 0 JHABMO CCOc1ccc2[nH]c(=O)c(CN(C(=S)NCCC[NH+]3CCOCC3)C3CCCCC3)cc2c1 ZINC000019824437 556395400 /nfs/dbraw/zinc/39/54/00/556395400.db2.gz OKPCMLIKVHBAFO-UHFFFAOYSA-N 1 1 486.682 3.658 40 0 JHABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]2N(C)C3=O)c1 ZINC000514290389 560029300 /nfs/dbraw/zinc/02/93/00/560029300.db2.gz ZXYSZIVJJGTBDO-GJZUVCINSA-N 1 1 458.514 3.808 40 0 biogenic,in-vitro JHABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]2N(C)C3=O)c1 ZINC000514290389 560029302 /nfs/dbraw/zinc/02/93/02/560029302.db2.gz ZXYSZIVJJGTBDO-GJZUVCINSA-N 1 1 458.514 3.808 40 0 biogenic,in-vitro JHABMO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034931884 569673658 /nfs/dbraw/zinc/67/36/58/569673658.db2.gz XZEFWJFRBQPZBG-FQEVSTJZSA-N 1 1 498.048 3.941 40 0 JHABMO CCOc1cc([C@H]([NH3+])c2nnc(-c3ccc(I)cc3)[nH]2)ccc1OC ZINC000095534420 569725490 /nfs/dbraw/zinc/72/54/90/569725490.db2.gz XXIYOLXWIWYEPD-INIZCTEOSA-N 1 1 450.280 3.532 40 0 JHABMO COc1cc([C@@H]2[NH+]=C(N3CCC(Cc4ccccc4)CC3)Nc3nc(C)cc(=O)n32)ccc1O ZINC000104280043 569844615 /nfs/dbraw/zinc/84/46/15/569844615.db2.gz KQPNLRWDLQHBSO-XMMPIXPASA-N 1 1 459.550 3.549 40 0 JHABMO COc1cc2c(cc1OC)C[N@@H+](C[C@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)[C@H](C)C2 ZINC000105371798 569852951 /nfs/dbraw/zinc/85/29/51/569852951.db2.gz HEAXKDZPAXOEMH-MFIHTSOBSA-N 1 1 455.595 3.735 40 0 JHABMO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222748490 569890204 /nfs/dbraw/zinc/89/02/04/569890204.db2.gz PSVRKLBRWJVVPN-UHFFFAOYSA-N 1 1 491.013 3.526 40 0 JHABMO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222888278 569893633 /nfs/dbraw/zinc/89/36/33/569893633.db2.gz KQUHJMNGHBNQMM-UHFFFAOYSA-N 1 1 487.025 3.834 40 0 JHABMO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000224565393 569948628 /nfs/dbraw/zinc/94/86/28/569948628.db2.gz KOUMIVZBQNDMMU-BWAHOGKJSA-N 1 1 459.546 3.624 40 0 JHABMO CCN(CC(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1cc(C)ccc1C ZINC000225932278 570028286 /nfs/dbraw/zinc/02/82/86/570028286.db2.gz PBUOZRSJQRCKDR-UHFFFAOYSA-N 1 1 475.014 3.744 40 0 JHABMO Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2)c1 ZINC000225938128 570028775 /nfs/dbraw/zinc/02/87/75/570028775.db2.gz IOTBQNGQGQCLSK-UHFFFAOYSA-N 1 1 491.657 3.839 40 0 JHABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000226082544 570036463 /nfs/dbraw/zinc/03/64/63/570036463.db2.gz MDHAKTVVSXLIEO-MRXNPFEDSA-N 1 1 490.988 3.656 40 0 JHABMO C[C@]1(O)C[N@@H+](Cc2cc(OCc3ccccc3)ccc2OCC(N)=O)CC[C@@H]1Oc1ccccc1 ZINC000257206577 570109856 /nfs/dbraw/zinc/10/98/56/570109856.db2.gz BEBOBPJGZVAAAX-XCZPVHLTSA-N 1 1 476.573 3.534 40 0 JHABMO C[N@H+]1CCN(C(=O)C(C)(C)NC(=O)c2ccc(F)cc2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257218136 570113573 /nfs/dbraw/zinc/11/35/73/570113573.db2.gz DBZIBFNXPJZUJC-IBGZPJMESA-N 1 1 462.569 3.515 40 0 JHABMO Clc1cccc(Oc2nccnc2[C@H]2CCC[N@H+](Cc3ccnc(N4CCOCC4)n3)C2)c1 ZINC000257220493 570114250 /nfs/dbraw/zinc/11/42/50/570114250.db2.gz DLAZYNXEELVJCF-SFHVURJKSA-N 1 1 466.973 3.929 40 0 JHABMO Clc1cccc(Oc2nccnc2[C@H]2CCC[N@@H+](Cc3ccnc(N4CCOCC4)n3)C2)c1 ZINC000257220493 570114251 /nfs/dbraw/zinc/11/42/51/570114251.db2.gz DLAZYNXEELVJCF-SFHVURJKSA-N 1 1 466.973 3.929 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CCCN(C(=O)CCC3CCCC3)C2)CC1 ZINC000257222154 570114742 /nfs/dbraw/zinc/11/47/42/570114742.db2.gz DSDWIAWYERKILG-MHZLTWQESA-N 1 1 473.633 3.948 40 0 JHABMO Clc1ccc(Oc2nccnc2[C@H]2CCC[N@H+](Cc3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000257225638 570115838 /nfs/dbraw/zinc/11/58/38/570115838.db2.gz FHDBHXQVBOROJH-SFHVURJKSA-N 1 1 466.973 3.929 40 0 JHABMO Clc1ccc(Oc2nccnc2[C@H]2CCC[N@@H+](Cc3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000257225638 570115839 /nfs/dbraw/zinc/11/58/39/570115839.db2.gz FHDBHXQVBOROJH-SFHVURJKSA-N 1 1 466.973 3.929 40 0 JHABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000257244307 570121326 /nfs/dbraw/zinc/12/13/26/570121326.db2.gz IKSZHMDUNKFBFD-UHFFFAOYSA-N 1 1 488.003 3.945 40 0 JHABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)COC[C@H]4CCCO4)C[C@@H]32)cc1 ZINC000257253876 570124390 /nfs/dbraw/zinc/12/43/90/570124390.db2.gz KAPTZAFCROMQDD-FPCALVHFSA-N 1 1 464.606 3.707 40 0 JHABMO Cc1ccsc1CN1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257257817 570125518 /nfs/dbraw/zinc/12/55/18/570125518.db2.gz KRFCVGBGTVFMLM-DEOSSOPVSA-N 1 1 478.058 3.524 40 0 JHABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2cccc(CNC(=O)c3ccccc3)c2)cc1 ZINC000257268158 570128984 /nfs/dbraw/zinc/12/89/84/570128984.db2.gz MKMJBJLJISWRTQ-SVBPBHIXSA-N 1 1 471.601 3.629 40 0 JHABMO COc1ccc(NC(=O)C[NH+]2CCC3(CC2)C/C=C/CCOc2ccccc2C(=O)NC3)cc1 ZINC000257271033 570129831 /nfs/dbraw/zinc/12/98/31/570129831.db2.gz MWOAUWZUYGYDDO-GORDUTHDSA-N 1 1 463.578 3.875 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(C(=O)c3ccccc3F)C2)CC1 ZINC000257342482 570151153 /nfs/dbraw/zinc/15/11/53/570151153.db2.gz ZOVWZTNFOSFHCL-SANMLTNESA-N 1 1 488.003 3.945 40 0 JHABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1 ZINC000001336017 194095143 /nfs/dbraw/zinc/09/51/43/194095143.db2.gz YUYKXIJAZVFSIW-NRFANRHFSA-N 1 1 462.550 3.818 40 0 JHABMO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000021004318 195265627 /nfs/dbraw/zinc/26/56/27/195265627.db2.gz WSLMTNMYHNSYTA-OAQYLSRUSA-N 1 1 489.641 3.945 40 0 JHABMO COc1cccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccccc2)c1 ZINC000020455011 526133700 /nfs/dbraw/zinc/13/37/00/526133700.db2.gz SECODGKAAYGJLP-UHFFFAOYSA-N 1 1 490.585 3.701 40 0 JHABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000006300556 554529482 /nfs/dbraw/zinc/52/94/82/554529482.db2.gz FMYYYQPMSSUICK-QFIPXVFZSA-N 1 1 450.587 3.645 40 0 JHABMO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000006300556 554529487 /nfs/dbraw/zinc/52/94/87/554529487.db2.gz FMYYYQPMSSUICK-QFIPXVFZSA-N 1 1 450.587 3.645 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCCC3)cc12 ZINC000006321996 554531524 /nfs/dbraw/zinc/53/15/24/554531524.db2.gz GYHKMKCWOIGEAU-OAQYLSRUSA-N 1 1 450.587 3.645 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCCC3)cc12 ZINC000006321996 554531526 /nfs/dbraw/zinc/53/15/26/554531526.db2.gz GYHKMKCWOIGEAU-OAQYLSRUSA-N 1 1 450.587 3.645 40 0 JHABMO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc(C(=O)OC)c1 ZINC000009063730 554881685 /nfs/dbraw/zinc/88/16/85/554881685.db2.gz HSOIVYJGMAVLKL-UHFFFAOYSA-N 1 1 462.905 3.903 40 0 JHABMO COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000009087789 554889691 /nfs/dbraw/zinc/88/96/91/554889691.db2.gz LKZBLJXQHFYYFM-CXSMSNRLSA-N 1 1 465.509 3.849 40 0 JHABMO COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000009087789 554889695 /nfs/dbraw/zinc/88/96/95/554889695.db2.gz LKZBLJXQHFYYFM-CXSMSNRLSA-N 1 1 465.509 3.849 40 0 JHABMO CC[C@@H](c1nnnn1C(C)(C)C)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494616 555405497 /nfs/dbraw/zinc/40/54/97/555405497.db2.gz VPVSRLHOUOCOMF-QHCPKHFHSA-N 1 1 495.672 3.562 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495815 555409633 /nfs/dbraw/zinc/40/96/33/555409633.db2.gz CFTYDNSBINOJJA-QHCPKHFHSA-N 1 1 488.592 3.582 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495815 555409637 /nfs/dbraw/zinc/40/96/37/555409637.db2.gz CFTYDNSBINOJJA-QHCPKHFHSA-N 1 1 488.592 3.582 40 0 JHABMO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500147 555436793 /nfs/dbraw/zinc/43/67/93/555436793.db2.gz RNNXGVBBFUFUQR-JOCHJYFZSA-N 1 1 466.586 3.672 40 0 JHABMO O=C(C[NH+]1CCC(c2nc(-c3ccncc3)n[nH]2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000013565349 555501497 /nfs/dbraw/zinc/50/14/97/555501497.db2.gz UNPGWWOREFVJJU-UHFFFAOYSA-N 1 1 452.562 3.952 40 0 JHABMO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2Cl)c1 ZINC000013668455 555557455 /nfs/dbraw/zinc/55/74/55/555557455.db2.gz WBDXWUWYLFAOPC-UHFFFAOYSA-N 1 1 450.004 3.973 40 0 JHABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 ZINC000013668493 555557473 /nfs/dbraw/zinc/55/74/73/555557473.db2.gz CTPRIDBXSNJUMT-HXUWFJFHSA-N 1 1 465.660 3.500 40 0 JHABMO COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940385 555558545 /nfs/dbraw/zinc/55/85/45/555558545.db2.gz ABHQIHHIFKBBOL-SANMLTNESA-N 1 1 499.619 3.546 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000020083388 555631208 /nfs/dbraw/zinc/63/12/08/555631208.db2.gz FKNNBOJPJLGKLX-VWLOTQADSA-N 1 1 485.636 3.794 40 0 JHABMO Cc1cccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000020236669 555730249 /nfs/dbraw/zinc/73/02/49/555730249.db2.gz JVYGNIIWXRTYKB-UHFFFAOYSA-N 1 1 477.630 3.695 40 0 JHABMO CCC(C)(C)n1nnnc1[C@@H](c1ccc(OC)c(OC)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022928802 555980103 /nfs/dbraw/zinc/98/01/03/555980103.db2.gz VVEUSJFOWNBBST-XMMPIXPASA-N 1 1 464.614 3.743 40 0 JHABMO COc1cccc([C@H](c2nnnn2CCC(C)C)N2CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000022929822 555982313 /nfs/dbraw/zinc/98/23/13/555982313.db2.gz FYNWRPGWOSNEII-XMMPIXPASA-N 1 1 464.614 3.644 40 0 JHABMO COc1ccc(OC)c([C@H](c2nnnn2CCC(C)C)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022929826 555982322 /nfs/dbraw/zinc/98/23/22/555982322.db2.gz QAQWAVUGGLFYQY-RUZDIDTESA-N 1 1 464.614 3.644 40 0 JHABMO CS(=O)(=O)N1CCc2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc21 ZINC000017356571 556259428 /nfs/dbraw/zinc/25/94/28/556259428.db2.gz ZRPZVVVIONFJJN-UHFFFAOYSA-N 1 1 475.614 3.556 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000030861550 556381919 /nfs/dbraw/zinc/38/19/19/556381919.db2.gz IRIVGVPVOQBFBZ-UHFFFAOYSA-N 1 1 472.998 3.551 40 0 JHABMO CC(C)n1cnc([C@H]2CN(Cc3ccccc3)c3ccc(C(=O)N4CCC[N@@H+](C)CC4)cc32)n1 ZINC000096156374 569736798 /nfs/dbraw/zinc/73/67/98/569736798.db2.gz YDXRHQRLZZVTQE-DEOSSOPVSA-N 1 1 458.610 3.789 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1 ZINC000038757320 569807542 /nfs/dbraw/zinc/80/75/42/569807542.db2.gz INIONPBMSMXNCU-UHFFFAOYSA-N 1 1 466.607 3.840 40 0 JHABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000044791458 569838892 /nfs/dbraw/zinc/83/88/92/569838892.db2.gz BREKJIGENKYZSU-UHFFFAOYSA-N 1 1 481.593 3.526 40 0 JHABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000044802859 569839206 /nfs/dbraw/zinc/83/92/06/569839206.db2.gz HNPUBENPEDDHEZ-UHFFFAOYSA-N 1 1 489.947 3.637 40 0 JHABMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C12CCCC2 ZINC000170613710 569872899 /nfs/dbraw/zinc/87/28/99/569872899.db2.gz ODHLAEZTVHTILR-OYDLWJJNSA-N 1 1 453.627 3.566 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223120078 569900018 /nfs/dbraw/zinc/90/00/18/569900018.db2.gz OLWRJLUDBZHAGQ-UHFFFAOYSA-N 1 1 454.596 3.660 40 0 JHABMO O=C(NCc1ccc(CN2CCOCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000224589491 569949776 /nfs/dbraw/zinc/94/97/76/569949776.db2.gz JGWFFNITPZFTPY-UHFFFAOYSA-N 1 1 459.993 3.840 40 0 JHABMO COC(=O)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)s1 ZINC000225802187 570022503 /nfs/dbraw/zinc/02/25/03/570022503.db2.gz PBHHUOUNMJTGKA-UHFFFAOYSA-N 1 1 475.423 3.961 40 0 JHABMO CS(=O)(=O)N[C@@H](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000225947187 570029194 /nfs/dbraw/zinc/02/91/94/570029194.db2.gz MJCKXLZNLCTUDD-VWLOTQADSA-N 1 1 495.620 3.740 40 0 JHABMO CN(c1cc(C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)ccc1Cl)S(C)(=O)=O ZINC000225972115 570030405 /nfs/dbraw/zinc/03/04/05/570030405.db2.gz GIGKEABVMIUHKK-UHFFFAOYSA-N 1 1 467.378 3.779 40 0 JHABMO C=C1[NH+]=C(SCC(=O)Nc2ccccc2OC)N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408993173 570094725 /nfs/dbraw/zinc/09/47/25/570094725.db2.gz VNWLOEHUILCDMR-HSZRJFAPSA-N 1 1 499.589 3.922 40 0 JHABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2)cc1 ZINC000409004787 570097630 /nfs/dbraw/zinc/09/76/30/570097630.db2.gz RMTHUQCOXGNPAT-UHFFFAOYSA-N 1 1 477.630 3.530 40 0 JHABMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000257209030 570110721 /nfs/dbraw/zinc/11/07/21/570110721.db2.gz BORCSBDDXHDJJA-LPPUWEFUSA-N 1 1 452.551 3.773 40 0 JHABMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000257209030 570110722 /nfs/dbraw/zinc/11/07/22/570110722.db2.gz BORCSBDDXHDJJA-LPPUWEFUSA-N 1 1 452.551 3.773 40 0 JHABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(OCCn2nc(C)cc2C)cc1 ZINC000257220709 570114321 /nfs/dbraw/zinc/11/43/21/570114321.db2.gz DLUPAZFXYJJFQT-QHCPKHFHSA-N 1 1 453.583 3.849 40 0 JHABMO COc1cc(C[N@@H+](CCO)C[C@H](O)CN2c3ccccc3Sc3ccccc32)ccc1OCCO ZINC000257248332 570122733 /nfs/dbraw/zinc/12/27/33/570122733.db2.gz JDEHVVDARHFVHT-NRFANRHFSA-N 1 1 496.629 3.524 40 0 JHABMO O=C(c1cccc(OCCN2CCOCC2)c1)N1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000257265572 570128037 /nfs/dbraw/zinc/12/80/37/570128037.db2.gz LZFVTXRIKLYQHI-AHKZPQOWSA-N 1 1 463.622 3.524 40 0 JHABMO Cc1ccc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)s1 ZINC000257265326 570128051 /nfs/dbraw/zinc/12/80/51/570128051.db2.gz LYFHWHGCEHEOHM-XMMPIXPASA-N 1 1 478.058 3.524 40 0 JHABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000257273876 570130752 /nfs/dbraw/zinc/13/07/52/570130752.db2.gz NIOSFXDEKLGBKJ-UHFFFAOYSA-N 1 1 470.013 3.806 40 0 JHABMO CCOCCOc1ccc(C[N@@H+](C)C[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000257281576 570133097 /nfs/dbraw/zinc/13/30/97/570133097.db2.gz OPXWJAJWKRJISG-GOSISDBHSA-N 1 1 451.489 3.963 40 0 JHABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](CC(=O)N4CC(=O)Nc5ccccc54)C[C@@H]3C[C@H]21 ZINC000257281888 570133323 /nfs/dbraw/zinc/13/33/23/570133323.db2.gz ORIZNRYUJPKNBC-PNPBPJFESA-N 1 1 461.562 3.611 40 0 JHABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@@H+](CC(=O)N4CC(=O)Nc5ccccc54)C[C@@H]3C[C@H]21 ZINC000257281888 570133324 /nfs/dbraw/zinc/13/33/24/570133324.db2.gz ORIZNRYUJPKNBC-PNPBPJFESA-N 1 1 461.562 3.611 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000257293332 570136534 /nfs/dbraw/zinc/13/65/34/570136534.db2.gz QPAZHVDSZCYWOK-SANMLTNESA-N 1 1 470.013 3.806 40 0 JHABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCC[N@@H+]2Cc2ccnc(N3CCOCC3)n2)n1 ZINC000257295848 570137212 /nfs/dbraw/zinc/13/72/12/570137212.db2.gz RADSICFCDOTFFU-OAQYLSRUSA-N 1 1 465.989 3.733 40 0 JHABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCC[N@H+]2Cc2ccnc(N3CCOCC3)n2)n1 ZINC000257295848 570137214 /nfs/dbraw/zinc/13/72/14/570137214.db2.gz RADSICFCDOTFFU-OAQYLSRUSA-N 1 1 465.989 3.733 40 0 JHABMO Cn1c(CNC(=O)C[N@H+]2CCC[C@]3(CN(c4ccc(Cl)cc4)C(=O)O3)CC2)nc2ccccc21 ZINC000257342287 570150998 /nfs/dbraw/zinc/15/09/98/570150998.db2.gz ZNZGCTCDEAKVGN-RUZDIDTESA-N 1 1 481.984 3.724 40 0 JHABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)NC1CCCCC1 ZINC000001342316 194098576 /nfs/dbraw/zinc/09/85/76/194098576.db2.gz HICRBMGFLAUUBC-FQEVSTJZSA-N 1 1 454.571 3.585 40 0 JHABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1OC ZINC000012711093 195095293 /nfs/dbraw/zinc/09/52/93/195095293.db2.gz ZBCHQFLQFGUTDY-IBGZPJMESA-N 1 1 478.549 3.784 40 0 JHABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013501202 522980933 /nfs/dbraw/zinc/98/09/33/522980933.db2.gz OKWXQQANZDBRGD-OAQYLSRUSA-N 1 1 476.537 3.781 40 0 JHABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013501202 522980942 /nfs/dbraw/zinc/98/09/42/522980942.db2.gz OKWXQQANZDBRGD-OAQYLSRUSA-N 1 1 476.537 3.781 40 0 JHABMO O=C(CCSc1ncnc2[nH]cnc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016477742 526545356 /nfs/dbraw/zinc/54/53/56/526545356.db2.gz FGXQKYASIHNAMH-UHFFFAOYSA-N 1 1 458.591 3.769 40 0 JHABMO Cc1cccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c12 ZINC000000874639 553811340 /nfs/dbraw/zinc/81/13/40/553811340.db2.gz YUNWQORJJZHBPY-UHFFFAOYSA-N 1 1 468.598 3.897 40 0 JHABMO Cc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000000874632 553811374 /nfs/dbraw/zinc/81/13/74/553811374.db2.gz SMNSNKHVHYBZJR-UHFFFAOYSA-N 1 1 468.598 3.897 40 0 JHABMO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC3CCCCC3)cc2c1 ZINC000000924138 553859206 /nfs/dbraw/zinc/85/92/06/553859206.db2.gz JGTLFRWHCNLWPT-UHFFFAOYSA-N 1 1 470.683 3.822 40 0 JHABMO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3cc(OC)ccc3[nH]c2=O)C2CCCCC2)cc1 ZINC000000927862 553864878 /nfs/dbraw/zinc/86/48/78/553864878.db2.gz OBHBAUVVUTZGAX-UHFFFAOYSA-N 1 1 488.592 3.915 40 0 JHABMO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3cc(OC)ccc3[nH]c2=O)C2CCCCC2)cc1 ZINC000000927862 553864881 /nfs/dbraw/zinc/86/48/81/553864881.db2.gz OBHBAUVVUTZGAX-UHFFFAOYSA-N 1 1 488.592 3.915 40 0 JHABMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)c(Br)c1 ZINC000009013942 554865229 /nfs/dbraw/zinc/86/52/29/554865229.db2.gz JYFFTTFOFVNVQH-GFTAFNIFSA-N 1 1 494.389 3.806 40 0 JHABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501148 555447759 /nfs/dbraw/zinc/44/77/59/555447759.db2.gz XJZSJSFQRDSSEE-JTHBVZDNSA-N 1 1 450.587 3.898 40 0 JHABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501148 555447760 /nfs/dbraw/zinc/44/77/60/555447760.db2.gz XJZSJSFQRDSSEE-JTHBVZDNSA-N 1 1 450.587 3.898 40 0 JHABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000020109227 555644922 /nfs/dbraw/zinc/64/49/22/555644922.db2.gz TWXBVLZBPHSKHZ-UHFFFAOYSA-N 1 1 482.556 3.822 40 0 JHABMO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000014414914 555813876 /nfs/dbraw/zinc/81/38/76/555813876.db2.gz OPTOIQGDAPRASB-UHFFFAOYSA-N 1 1 498.476 3.884 40 0 JHABMO COc1ccc(OC)c([C@@H](c2nnnn2CCC(C)C)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022929828 555982397 /nfs/dbraw/zinc/98/23/97/555982397.db2.gz QAQWAVUGGLFYQY-VWLOTQADSA-N 1 1 464.614 3.644 40 0 JHABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064090 556261544 /nfs/dbraw/zinc/26/15/44/556261544.db2.gz ZVOYFYAXOHBKMT-GMAHTHKFSA-N 1 1 466.586 3.598 40 0 JHABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064090 556261546 /nfs/dbraw/zinc/26/15/46/556261546.db2.gz ZVOYFYAXOHBKMT-GMAHTHKFSA-N 1 1 466.586 3.598 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065094 556263613 /nfs/dbraw/zinc/26/36/13/556263613.db2.gz TUFHWAYFKDZOAA-OAQYLSRUSA-N 1 1 466.586 3.590 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065094 556263615 /nfs/dbraw/zinc/26/36/15/556263615.db2.gz TUFHWAYFKDZOAA-OAQYLSRUSA-N 1 1 466.586 3.590 40 0 JHABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000018068396 556283086 /nfs/dbraw/zinc/28/30/86/556283086.db2.gz NADAMMMMTDIMII-ZUVQJFRASA-N 1 1 457.917 3.924 40 0 JHABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000018068396 556283091 /nfs/dbraw/zinc/28/30/91/556283091.db2.gz NADAMMMMTDIMII-ZUVQJFRASA-N 1 1 457.917 3.924 40 0 JHABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019499570 556349402 /nfs/dbraw/zinc/34/94/02/556349402.db2.gz LNICOHDQIRGCRT-VWLOTQADSA-N 1 1 485.636 3.875 40 0 JHABMO COc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000019563465 556354437 /nfs/dbraw/zinc/35/44/37/556354437.db2.gz QNCDUJWEDBBABP-UHFFFAOYSA-N 1 1 484.984 3.947 40 0 JHABMO COc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000019822631 556392416 /nfs/dbraw/zinc/39/24/16/556392416.db2.gz UEYMJWHAUIRHTA-UHFFFAOYSA-N 1 1 480.634 3.766 40 0 JHABMO Cc1cc(C)c2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000019823640 556393992 /nfs/dbraw/zinc/39/39/92/556393992.db2.gz SBYNNMSRHDCMOB-UHFFFAOYSA-N 1 1 478.662 3.744 40 0 JHABMO Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1C ZINC000019824402 556395456 /nfs/dbraw/zinc/39/54/56/556395456.db2.gz SEAVJERNYIFYMZ-UHFFFAOYSA-N 1 1 496.652 3.883 40 0 JHABMO COc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1 ZINC000019824702 556395700 /nfs/dbraw/zinc/39/57/00/556395700.db2.gz ZBCWHHUFVASSJR-FQEVSTJZSA-N 1 1 494.661 3.697 40 0 JHABMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000101343309 569793633 /nfs/dbraw/zinc/79/36/33/569793633.db2.gz NVXIQRPWPCLIEH-XCBFCAQUSA-N 1 1 457.917 3.924 40 0 JHABMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000101343309 569793634 /nfs/dbraw/zinc/79/36/34/569793634.db2.gz NVXIQRPWPCLIEH-XCBFCAQUSA-N 1 1 457.917 3.924 40 0 JHABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000225578637 570007066 /nfs/dbraw/zinc/00/70/66/570007066.db2.gz BUBCHHDKAJIAPL-UHFFFAOYSA-N 1 1 473.976 3.764 40 0 JHABMO O=C(NCCC[NH+]1CCOCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408705229 570024595 /nfs/dbraw/zinc/02/45/95/570024595.db2.gz ZXRVBQWRFHRUQQ-XMMPIXPASA-N 1 1 474.026 3.566 40 0 JHABMO CCN(CC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1ccc(F)cc1 ZINC000226056622 570034819 /nfs/dbraw/zinc/03/48/19/570034819.db2.gz KWRVXXNHEZTBPU-UHFFFAOYSA-N 1 1 478.977 3.656 40 0 JHABMO C=C1[NH+]=C(SCC(=O)Nc2nnc(CC)s2)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408988752 570093277 /nfs/dbraw/zinc/09/32/77/570093277.db2.gz JFJZVHKSDSPZJC-IBGZPJMESA-N 1 1 489.623 3.709 40 0 JHABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000257220454 570114314 /nfs/dbraw/zinc/11/43/14/570114314.db2.gz DKWQBKKEWWRRAS-RSXGOPAZSA-N 1 1 452.551 3.627 40 0 JHABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000257220454 570114315 /nfs/dbraw/zinc/11/43/15/570114315.db2.gz DKWQBKKEWWRRAS-RSXGOPAZSA-N 1 1 452.551 3.627 40 0 JHABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(C(F)(F)F)c2)C[C@H]1NC(=O)C1CCOCC1 ZINC000257230436 570117139 /nfs/dbraw/zinc/11/71/39/570117139.db2.gz GCHNTMITWDHNRS-LWSSLDFYSA-N 1 1 492.538 3.629 40 0 JHABMO C[N@H+]1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]21 ZINC000257261281 570126666 /nfs/dbraw/zinc/12/66/66/570126666.db2.gz LGOAWWAVYSIENN-HJOGWXRNSA-N 1 1 453.602 3.907 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 ZINC000257264184 570127598 /nfs/dbraw/zinc/12/75/98/570127598.db2.gz LTGLRNNBVDHRDN-AREMUKBSSA-N 1 1 470.013 3.806 40 0 JHABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2CC(=O)NCc2ccccc2Cl)cc1 ZINC000257268564 570129109 /nfs/dbraw/zinc/12/91/09/570129109.db2.gz MMGBBDAWHNGFKN-HWBMXIPRSA-N 1 1 455.986 3.839 40 0 JHABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2CC(=O)NCc2ccccc2Cl)cc1 ZINC000257268564 570129111 /nfs/dbraw/zinc/12/91/11/570129111.db2.gz MMGBBDAWHNGFKN-HWBMXIPRSA-N 1 1 455.986 3.839 40 0 JHABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCN(C(=O)CC(C)C)C[C@H](Cc3ccccn3)C2)c1 ZINC000257308196 570140899 /nfs/dbraw/zinc/14/08/99/570140899.db2.gz TVUNKMHQLLFPCX-DEOSSOPVSA-N 1 1 473.621 3.824 40 0 JHABMO Cc1cncc(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000257315675 570143233 /nfs/dbraw/zinc/14/32/33/570143233.db2.gz VCJJTHWLXYMPAX-UHFFFAOYSA-N 1 1 485.028 3.509 40 0 JHABMO COc1ccc(C2(C(=O)N3CC[N@@H+](C)C[C@@H](Cc4cnc5ccccc5c4)C3)CCOCC2)cc1 ZINC000257337516 570149707 /nfs/dbraw/zinc/14/97/07/570149707.db2.gz YTCJVXHTGQWXDM-HSZRJFAPSA-N 1 1 473.617 3.925 40 0 JHABMO Cc1ccc(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000257338523 570150020 /nfs/dbraw/zinc/15/00/20/570150020.db2.gz YXURQNZTNCXXOC-UHFFFAOYSA-N 1 1 485.028 3.509 40 0 JHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1OC ZINC000001342169 194098590 /nfs/dbraw/zinc/09/85/90/194098590.db2.gz KRMINSCHTDIFRT-HXUWFJFHSA-N 1 1 492.576 3.826 40 0 JHABMO COc1ccc(OC)c(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000001380596 194113083 /nfs/dbraw/zinc/11/30/83/194113083.db2.gz QBJIDZRRVDSMFT-UHFFFAOYSA-N 1 1 463.460 3.743 40 0 JHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)NC1CCCCC1 ZINC000012710591 195094774 /nfs/dbraw/zinc/09/47/74/195094774.db2.gz RAZBRJAULFATGS-OAQYLSRUSA-N 1 1 468.598 3.628 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013501170 520921060 /nfs/dbraw/zinc/92/10/60/520921060.db2.gz BLSUNYWKTQEQFA-JOCHJYFZSA-N 1 1 466.586 3.672 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000044900088 527373931 /nfs/dbraw/zinc/37/39/31/527373931.db2.gz HEKKFJXMPAEMDZ-UHFFFAOYSA-N 1 1 466.588 3.997 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000022429090 527384813 /nfs/dbraw/zinc/38/48/13/527384813.db2.gz NTZUOCONCXITEQ-UHFFFAOYSA-N 1 1 478.549 3.832 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000022511780 527385534 /nfs/dbraw/zinc/38/55/34/527385534.db2.gz MZSGBUXOOIRBSC-UHFFFAOYSA-N 1 1 458.971 3.549 40 0 JHABMO Cc1cc(C)c2cc(CN(CCC[NH+]3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000000880502 553817464 /nfs/dbraw/zinc/81/74/64/553817464.db2.gz AIIUIRJXPLXMGJ-UHFFFAOYSA-N 1 1 454.615 3.712 40 0 JHABMO Cc1ccc2cc(C[N@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000006410276 554535587 /nfs/dbraw/zinc/53/55/87/554535587.db2.gz UHIVPABNWHHKQJ-JOCHJYFZSA-N 1 1 450.587 3.645 40 0 JHABMO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000006410276 554535588 /nfs/dbraw/zinc/53/55/88/554535588.db2.gz UHIVPABNWHHKQJ-JOCHJYFZSA-N 1 1 450.587 3.645 40 0 JHABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)Nc5ccc(Cl)cc5)c43)C2)CC1 ZINC000008300437 554565846 /nfs/dbraw/zinc/56/58/46/554565846.db2.gz GIOYFNSJNNNOBL-ZWKOTPCHSA-N 1 1 484.000 3.576 40 0 biogenic,in-vitro JHABMO 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CCN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000039985774 569813022 /nfs/dbraw/zinc/81/30/22/569813022.db2.gz DPSGIMJOHHBWDJ-UHFFFAOYSA-N 1 1 495.620 3.770 40 0 JHABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000222541105 569885419 /nfs/dbraw/zinc/88/54/19/569885419.db2.gz KUGFSLJMQXSYQX-GOSISDBHSA-N 1 1 487.025 3.907 40 0 JHABMO O=C(NCc1ccccc1CN1CCOCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589074 570008058 /nfs/dbraw/zinc/00/80/58/570008058.db2.gz JYPBZWLAXJFTPR-UHFFFAOYSA-N 1 1 459.993 3.840 40 0 JHABMO Cc1ccc(CN(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000225707604 570016325 /nfs/dbraw/zinc/01/63/25/570016325.db2.gz SYVQUNAZMTWKRC-UHFFFAOYSA-N 1 1 491.657 3.690 40 0 JHABMO CS(=O)(=O)N[C@@H](CC(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Cl)cc1 ZINC000225949365 570029411 /nfs/dbraw/zinc/02/94/11/570029411.db2.gz HOTHDNBJVJOROG-IBGZPJMESA-N 1 1 481.405 3.750 40 0 JHABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)C2)cc1 ZINC000226077228 570036275 /nfs/dbraw/zinc/03/62/75/570036275.db2.gz IFDPJYUCOFCHAO-GOSISDBHSA-N 1 1 487.025 3.826 40 0 JHABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000253499309 570100888 /nfs/dbraw/zinc/10/08/88/570100888.db2.gz XNXAZYSOQWRUJH-XUZZJYLKSA-N 1 1 461.614 3.864 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(C(=O)Cc3cccs3)C2)CC1 ZINC000257203354 570108847 /nfs/dbraw/zinc/10/88/47/570108847.db2.gz APQATYVFOYGYFM-RUZDIDTESA-N 1 1 490.069 3.796 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3ccccc3Cl)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257213972 570112259 /nfs/dbraw/zinc/11/22/59/570112259.db2.gz CJWYMVLOJQTYAW-MBSDFSHPSA-N 1 1 473.976 3.553 40 0 JHABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@@H+]2CCOC[C@H](Cc3cccc4occc43)C2)c1 ZINC000257214665 570112417 /nfs/dbraw/zinc/11/24/17/570112417.db2.gz CMYKMEVPNNTGDU-GOSISDBHSA-N 1 1 451.523 3.529 40 0 JHABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@H+]2CCOC[C@H](Cc3cccc4occc43)C2)c1 ZINC000257214665 570112418 /nfs/dbraw/zinc/11/24/18/570112418.db2.gz CMYKMEVPNNTGDU-GOSISDBHSA-N 1 1 451.523 3.529 40 0 JHABMO COCC[N@H+]1CC[C@H](CNC(=O)C2(Cc3cccc(-c4cccc(F)c4)c3)CCOCC2)C1 ZINC000257216644 570113197 /nfs/dbraw/zinc/11/31/97/570113197.db2.gz CVMRTXWHVSMORJ-JOCHJYFZSA-N 1 1 454.586 3.917 40 0 JHABMO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(OCCn2nc(C)cc2C)cc1 ZINC000257220708 570114305 /nfs/dbraw/zinc/11/43/05/570114305.db2.gz DLUPAZFXYJJFQT-HSZRJFAPSA-N 1 1 453.583 3.849 40 0 JHABMO C[C@]12CC[N@@H+](CC(=O)NCCc3nc4ccccc4[nH]3)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000257243057 570121065 /nfs/dbraw/zinc/12/10/65/570121065.db2.gz IFHKFANVFTXMRW-CUBQBAPOSA-N 1 1 491.611 3.797 40 0 JHABMO CCc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 ZINC000257247604 570122533 /nfs/dbraw/zinc/12/25/33/570122533.db2.gz IZRGTPVQRGNWHH-DHLKQENFSA-N 1 1 492.595 3.929 40 0 JHABMO COCCNc1nc([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)cc2ccccc21 ZINC000257253661 570124427 /nfs/dbraw/zinc/12/44/27/570124427.db2.gz JZTVWLSZQNIBJD-IBGZPJMESA-N 1 1 489.576 3.556 40 0 JHABMO COCCNc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)cc2ccccc21 ZINC000257253661 570124428 /nfs/dbraw/zinc/12/44/28/570124428.db2.gz JZTVWLSZQNIBJD-IBGZPJMESA-N 1 1 489.576 3.556 40 0 JHABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(C(=O)c3c(F)cccc3F)CC2)CC1 ZINC000257276384 570131586 /nfs/dbraw/zinc/13/15/86/570131586.db2.gz NTLPJLNCXWQZJD-UHFFFAOYSA-N 1 1 489.538 3.569 40 0 JHABMO CCn1ccnc1CN1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257291752 570136161 /nfs/dbraw/zinc/13/61/61/570136161.db2.gz QILRJJKYAXMKSJ-AREMUKBSSA-N 1 1 488.076 3.690 40 0 JHABMO COCC[N@H+]1CC[C@@H](CNC(=O)C2(Cc3cccc(-c4cccc(OC)c4)c3)CCOCC2)C1 ZINC000257300266 570138545 /nfs/dbraw/zinc/13/85/45/570138545.db2.gz RTRDRCQMSHDZQW-QHCPKHFHSA-N 1 1 466.622 3.786 40 0 JHABMO CCCc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@H](O)[C@@H](N3CCN(C(C)=O)CC3)CC2)c1 ZINC000257309148 570141020 /nfs/dbraw/zinc/14/10/20/570141020.db2.gz TZTPZDUEKJDVPD-NSOVKSMOSA-N 1 1 479.665 3.708 40 0 JHABMO O=C(NC[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccncc3)C2)O1)c1ccc(Cl)c(Cl)c1 ZINC000306133734 570178450 /nfs/dbraw/zinc/17/84/50/570178450.db2.gz MTXOYLVODSOQSD-PGRDOPGGSA-N 1 1 450.366 3.568 40 0 JHABMO O=C(NC[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccncc3)C2)O1)c1ccc(Cl)c(Cl)c1 ZINC000306133734 570178452 /nfs/dbraw/zinc/17/84/52/570178452.db2.gz MTXOYLVODSOQSD-PGRDOPGGSA-N 1 1 450.366 3.568 40 0 JHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccc(OC)cc1 ZINC000001352719 194099784 /nfs/dbraw/zinc/09/97/84/194099784.db2.gz GGZBUZKFFZEGAW-HXUWFJFHSA-N 1 1 478.549 3.784 40 0 JHABMO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1nnnn1Cc1ccccc1)C1CCCCC1)OCO3 ZINC000001375785 194110489 /nfs/dbraw/zinc/11/04/89/194110489.db2.gz ASWQXUCLHKSSAJ-UHFFFAOYSA-N 1 1 472.549 3.627 40 0 JHABMO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](Cc1nnnn1Cc1ccccc1)C1CCCCC1)OCO3 ZINC000001375785 194110492 /nfs/dbraw/zinc/11/04/92/194110492.db2.gz ASWQXUCLHKSSAJ-UHFFFAOYSA-N 1 1 472.549 3.627 40 0 JHABMO O=c1c(NS(=O)(=O)c2cccc(F)c2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](CC2CCCCC2)C1 ZINC000003841484 194363449 /nfs/dbraw/zinc/36/34/49/194363449.db2.gz MFMSTLWHBPWLJH-RBUKOAKNSA-N 1 1 459.587 3.788 40 0 biogenic,in-vitro JHABMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)C12CCCC2 ZINC000096343865 130074066 /nfs/dbraw/zinc/07/40/66/130074066.db2.gz ODHLAEZTVHTILR-HUVFLSCGSA-N 1 1 453.627 3.566 40 0 JHABMO CC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000044902294 521853599 /nfs/dbraw/zinc/85/35/99/521853599.db2.gz CKDIKGHPTRCMPI-QFIPXVFZSA-N 1 1 454.596 3.659 40 0 JHABMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4c2ccc(C)c4C)[N@@H+]2CCC[C@@H]32)c(Br)c1 ZINC000020462527 524925880 /nfs/dbraw/zinc/92/58/80/524925880.db2.gz JYFFTTFOFVNVQH-AJGMTHFWSA-N 1 1 494.389 3.806 40 0 JHABMO C[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857142 525069474 /nfs/dbraw/zinc/06/94/74/525069474.db2.gz KSGVZWYYWLOWPO-OAHLLOKOSA-N 1 1 452.979 3.972 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000044904612 527372588 /nfs/dbraw/zinc/37/25/88/527372588.db2.gz PHCLACZDQPMVSW-UHFFFAOYSA-N 1 1 472.998 3.939 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000044847577 527386686 /nfs/dbraw/zinc/38/66/86/527386686.db2.gz XJQZGDSGKURIKH-UHFFFAOYSA-N 1 1 458.971 3.549 40 0 JHABMO OCC[NH2+]CCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000019366087 527553899 /nfs/dbraw/zinc/55/38/99/527553899.db2.gz QQSBRRVYKYFYQA-UHFFFAOYSA-N 1 1 480.600 3.898 40 0 JHABMO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)[NH+]2CCCCCC2)cc1 ZINC000006408876 554534647 /nfs/dbraw/zinc/53/46/47/554534647.db2.gz IGDCDKHXJHTOMY-DEOSSOPVSA-N 1 1 458.566 3.845 40 0 JHABMO COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3CC(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000006548673 554550493 /nfs/dbraw/zinc/55/04/93/554550493.db2.gz LOHMUJMAIFAWKO-BRTIRZTQSA-N 1 1 450.583 3.515 40 0 JHABMO COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000006548673 554550496 /nfs/dbraw/zinc/55/04/96/554550496.db2.gz LOHMUJMAIFAWKO-BRTIRZTQSA-N 1 1 450.583 3.515 40 0 JHABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5ccc6ccccc6c5)c43)C2)CC1 ZINC000008300419 554565891 /nfs/dbraw/zinc/56/58/91/554565891.db2.gz YYDMMNYQABLJDZ-GBXCKJPGSA-N 1 1 484.600 3.684 40 0 biogenic,in-vitro JHABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498942 555426315 /nfs/dbraw/zinc/42/63/15/555426315.db2.gz RVGFLUALERGKLS-JOCHJYFZSA-N 1 1 454.619 3.858 40 0 JHABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498942 555426318 /nfs/dbraw/zinc/42/63/18/555426318.db2.gz RVGFLUALERGKLS-JOCHJYFZSA-N 1 1 454.619 3.858 40 0 JHABMO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499502 555432305 /nfs/dbraw/zinc/43/23/05/555432305.db2.gz UJCAXTIUWYBLHL-QHCPKHFHSA-N 1 1 480.613 3.981 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C ZINC000020037218 555611257 /nfs/dbraw/zinc/61/12/57/555611257.db2.gz LEGGPVFOCZEHKJ-UHFFFAOYSA-N 1 1 466.607 3.840 40 0 JHABMO COc1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022928667 555979888 /nfs/dbraw/zinc/97/98/88/555979888.db2.gz QVDZCKJFEPCGDO-RUZDIDTESA-N 1 1 462.598 3.713 40 0 JHABMO COc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929498 555981634 /nfs/dbraw/zinc/98/16/34/555981634.db2.gz QDGVBKVOSIIMEV-AREMUKBSSA-N 1 1 472.568 3.776 40 0 JHABMO Cc1ccc2[nH]c(=O)c(CN(C(=S)NCCC[NH+]3CCOCC3)C3CCCCC3)cc2c1 ZINC000026099743 556241219 /nfs/dbraw/zinc/24/12/19/556241219.db2.gz RBBRHWBXWMUFRW-UHFFFAOYSA-N 1 1 456.656 3.568 40 0 JHABMO Cc1cccc2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccccc3F)c(=O)[nH]c12 ZINC000019236486 556337441 /nfs/dbraw/zinc/33/74/41/556337441.db2.gz AZHKEGKWQVKAPR-UHFFFAOYSA-N 1 1 452.530 3.732 40 0 JHABMO COc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000019822749 556392505 /nfs/dbraw/zinc/39/25/05/556392505.db2.gz MSQHRRMYCKOLAA-UHFFFAOYSA-N 1 1 480.634 3.766 40 0 JHABMO Cc1cc(C)c2cc(CN(Cc3ccc(F)cc3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000019823738 556394472 /nfs/dbraw/zinc/39/44/72/556394472.db2.gz IEPWUIRUVWHJQS-UHFFFAOYSA-N 1 1 496.652 3.883 40 0 JHABMO Cc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCCc3ccccc3)c(=O)[nH]c2cc1C ZINC000019824344 556395461 /nfs/dbraw/zinc/39/54/61/556395461.db2.gz VRCRZMISCSQOSD-UHFFFAOYSA-N 1 1 492.689 3.786 40 0 JHABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000033937010 569638463 /nfs/dbraw/zinc/63/84/63/569638463.db2.gz ZHRRVVJEFKEKGQ-ISKFKSNPSA-N 1 1 480.613 3.988 40 0 JHABMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000035843338 569714340 /nfs/dbraw/zinc/71/43/40/569714340.db2.gz HZWRDYGRQQRKPO-WCGJNUNOSA-N 1 1 486.355 3.742 40 0 JHABMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000035843338 569714342 /nfs/dbraw/zinc/71/43/42/569714342.db2.gz HZWRDYGRQQRKPO-WCGJNUNOSA-N 1 1 486.355 3.742 40 0 JHABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101343740 569793745 /nfs/dbraw/zinc/79/37/45/569793745.db2.gz CORTVJDNQYEVRF-YTSMVRMISA-N 1 1 474.319 3.872 40 0 JHABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101343740 569793746 /nfs/dbraw/zinc/79/37/46/569793746.db2.gz CORTVJDNQYEVRF-YTSMVRMISA-N 1 1 474.319 3.872 40 0 JHABMO Cc1c(Cl)cccc1N(CCCC(=O)NCCC[N@H+]1CCc2ccccc2C1)S(C)(=O)=O ZINC000224431230 569944325 /nfs/dbraw/zinc/94/43/25/569944325.db2.gz UUKOKJYOELEJEC-UHFFFAOYSA-N 1 1 478.058 3.759 40 0 JHABMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC[NH+](Cc4ccc(Cl)cc4F)CC3)CC2)cc1 ZINC000225581975 570007324 /nfs/dbraw/zinc/00/73/24/570007324.db2.gz FBFRFOLUKXTOTR-UHFFFAOYSA-N 1 1 494.032 3.533 40 0 JHABMO Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)c(C)c1 ZINC000226037838 570033712 /nfs/dbraw/zinc/03/37/12/570033712.db2.gz YEBCOUAAWBMPCA-UHFFFAOYSA-N 1 1 475.014 3.662 40 0 JHABMO CCN(CC(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1ccc(Cl)cc1 ZINC000226048964 570034229 /nfs/dbraw/zinc/03/42/29/570034229.db2.gz CDOYOXATLIAUJR-UHFFFAOYSA-N 1 1 481.405 3.781 40 0 JHABMO CCN(CC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1ccc(C)cc1 ZINC000226048331 570034266 /nfs/dbraw/zinc/03/42/66/570034266.db2.gz CXALUEFVFAWTBY-UHFFFAOYSA-N 1 1 475.014 3.826 40 0 JHABMO CS(=O)(=O)N(CC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1ccc(Cl)cc1 ZINC000226050325 570034338 /nfs/dbraw/zinc/03/43/38/570034338.db2.gz DGPFDWMTIUBXJI-UHFFFAOYSA-N 1 1 495.432 3.922 40 0 JHABMO Cc1ccc(CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408919734 570076685 /nfs/dbraw/zinc/07/66/85/570076685.db2.gz BUDLUAUKEMQEQR-UHFFFAOYSA-N 1 1 491.657 3.839 40 0 JHABMO C=C1[NH+]=C(SCC(=O)Nc2nnc(CC)s2)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408988756 570093216 /nfs/dbraw/zinc/09/32/16/570093216.db2.gz JFJZVHKSDSPZJC-LJQANCHMSA-N 1 1 489.623 3.709 40 0 JHABMO CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@H]43)cc2O1 ZINC000257198769 570107385 /nfs/dbraw/zinc/10/73/85/570107385.db2.gz IBBOWHCQFLNGOV-GTLXUPCDSA-N 1 1 480.605 3.936 40 0 JHABMO NC(=O)COc1ccc(OCc2ccccc2)cc1C[N@H+]1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1 ZINC000257206105 570109718 /nfs/dbraw/zinc/10/97/18/570109718.db2.gz BBWHQTQAQMTBHQ-IGKIAQTJSA-N 1 1 494.563 3.673 40 0 JHABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000257236238 570119008 /nfs/dbraw/zinc/11/90/08/570119008.db2.gz HBIAJGJOUQZYGN-DDZLNHKNSA-N 1 1 479.577 3.669 40 0 JHABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000257236238 570119009 /nfs/dbraw/zinc/11/90/09/570119009.db2.gz HBIAJGJOUQZYGN-DDZLNHKNSA-N 1 1 479.577 3.669 40 0 JHABMO COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3ccc(F)cc3F)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000257239478 570120109 /nfs/dbraw/zinc/12/01/09/570120109.db2.gz HPKGAGKVYCBPTL-LGKPFJOYSA-N 1 1 478.536 3.879 40 0 JHABMO CC(C)n1nccc1NC(=O)C[N@H+]1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000257291822 570136065 /nfs/dbraw/zinc/13/60/65/570136065.db2.gz QITRMHLQKXCWCX-HSZRJFAPSA-N 1 1 469.605 3.877 40 0 JHABMO CC(=O)N1CC[N@H+](Cc2ccnc(N3CCCCC3)n2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257297947 570137733 /nfs/dbraw/zinc/13/77/33/570137733.db2.gz RJLOVLDLROGTHF-JOCHJYFZSA-N 1 1 458.610 3.538 40 0 JHABMO CC(=O)N1CC[N@@H+](Cc2ccnc(N3CCCCC3)n2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257297947 570137735 /nfs/dbraw/zinc/13/77/35/570137735.db2.gz RJLOVLDLROGTHF-JOCHJYFZSA-N 1 1 458.610 3.538 40 0 JHABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2CC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000257332048 570148197 /nfs/dbraw/zinc/14/81/97/570148197.db2.gz XVMVTIPCDRNVCR-MCEYFSPLSA-N 1 1 465.598 3.820 40 0 JHABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2CC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000257332048 570148198 /nfs/dbraw/zinc/14/81/98/570148198.db2.gz XVMVTIPCDRNVCR-MCEYFSPLSA-N 1 1 465.598 3.820 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000257333589 570148579 /nfs/dbraw/zinc/14/85/79/570148579.db2.gz YCEWUVKVECGBKV-XMMPIXPASA-N 1 1 450.023 3.538 40 0 JHABMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)C2)cc1 ZINC000260734439 570155749 /nfs/dbraw/zinc/15/57/49/570155749.db2.gz IFDPJYUCOFCHAO-SFHVURJKSA-N 1 1 487.025 3.826 40 0 JHABMO Cn1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)COc3ccccc3)c4=O)C2)c2ccccc21 ZINC000003842055 194363862 /nfs/dbraw/zinc/36/38/62/194363862.db2.gz AIQTUSZIOWTFCJ-LEWJYISDSA-N 1 1 482.584 3.977 40 0 biogenic,in-vitro JHABMO C[C@H]1Cc2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000021004320 195265801 /nfs/dbraw/zinc/26/58/01/195265801.db2.gz WSLMTNMYHNSYTA-NRFANRHFSA-N 1 1 489.641 3.945 40 0 JHABMO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+](C)C3CCCCC3)cc2c1 ZINC000057584861 195351034 /nfs/dbraw/zinc/35/10/34/195351034.db2.gz LNFDDMSHSVVZLO-XMMPIXPASA-N 1 1 458.566 3.925 40 0 JHABMO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+](C)C3CCCCC3)cc2c1 ZINC000057584861 195351036 /nfs/dbraw/zinc/35/10/36/195351036.db2.gz LNFDDMSHSVVZLO-XMMPIXPASA-N 1 1 458.566 3.925 40 0 JHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000020457914 523019007 /nfs/dbraw/zinc/01/90/07/523019007.db2.gz IYXMYSVVELPTEW-IBGZPJMESA-N 1 1 459.587 3.772 40 0 JHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000044850211 523021071 /nfs/dbraw/zinc/02/10/71/523021071.db2.gz FACFCTBJFJYRAS-QFIPXVFZSA-N 1 1 470.079 3.653 40 0 JHABMO COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000008619719 524620289 /nfs/dbraw/zinc/62/02/89/524620289.db2.gz LYIVDCCDLKARIB-CXSMSNRLSA-N 1 1 471.557 3.977 40 0 JHABMO COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000008619719 524620299 /nfs/dbraw/zinc/62/02/99/524620299.db2.gz LYIVDCCDLKARIB-CXSMSNRLSA-N 1 1 471.557 3.977 40 0 JHABMO COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000030848008 525054830 /nfs/dbraw/zinc/05/48/30/525054830.db2.gz SRBHGSRBFKPGFB-SFHVURJKSA-N 1 1 459.612 3.866 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000022524997 527384592 /nfs/dbraw/zinc/38/45/92/527384592.db2.gz CURXSOGTVZGVFQ-UHFFFAOYSA-N 1 1 487.025 3.692 40 0 JHABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC3CCCCC3)cc2c1 ZINC000000879415 553815657 /nfs/dbraw/zinc/81/56/57/553815657.db2.gz DRCPBZDJAWTFOP-UHFFFAOYSA-N 1 1 486.682 3.658 40 0 JHABMO Cc1cc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC3CCCCC3)cc2c1 ZINC000000931456 553869524 /nfs/dbraw/zinc/86/95/24/553869524.db2.gz LDHJAUZZRJVJFY-UHFFFAOYSA-N 1 1 470.683 3.876 40 0 JHABMO COc1cc2ccnc([C@]3(O)CC[N@H+]4CCc5cc(OC)c(OC)cc5[C@@H]4C3)c2cc1OC ZINC000005373830 554489326 /nfs/dbraw/zinc/48/93/26/554489326.db2.gz SZYNDAOHCHSDSO-FNZWTVRRSA-N 1 1 450.535 3.850 40 0 JHABMO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000008783021 554680089 /nfs/dbraw/zinc/68/00/89/554680089.db2.gz QSKKWECNKCMOLZ-UHFFFAOYSA-N 1 1 463.603 3.778 40 0 JHABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013494584 555405463 /nfs/dbraw/zinc/40/54/63/555405463.db2.gz KGCNDJPCFAZDNS-IBGZPJMESA-N 1 1 452.559 3.894 40 0 JHABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013494584 555405467 /nfs/dbraw/zinc/40/54/67/555405467.db2.gz KGCNDJPCFAZDNS-IBGZPJMESA-N 1 1 452.559 3.894 40 0 JHABMO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500073 555436047 /nfs/dbraw/zinc/43/60/47/555436047.db2.gz HYDOSRUCGOKOCW-JOCHJYFZSA-N 1 1 480.613 3.981 40 0 JHABMO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500574 555441692 /nfs/dbraw/zinc/44/16/92/555441692.db2.gz HOPTUHFHZXRWBA-AREMUKBSSA-N 1 1 488.636 3.956 40 0 JHABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500574 555441699 /nfs/dbraw/zinc/44/16/99/555441699.db2.gz HOPTUHFHZXRWBA-AREMUKBSSA-N 1 1 488.636 3.956 40 0 JHABMO Cc1cccc2cc(C[N@H+](CCCO)C3(c4nnnn4C4CCCC4)CCCCC3)c(=O)[nH]c12 ZINC000013501250 555449035 /nfs/dbraw/zinc/44/90/35/555449035.db2.gz CKNJXOVONJDHQQ-UHFFFAOYSA-N 1 1 464.614 3.982 40 0 JHABMO Cc1cccc2cc(C[N@@H+](CCCO)C3(c4nnnn4C4CCCC4)CCCCC3)c(=O)[nH]c12 ZINC000013501250 555449036 /nfs/dbraw/zinc/44/90/36/555449036.db2.gz CKNJXOVONJDHQQ-UHFFFAOYSA-N 1 1 464.614 3.982 40 0 JHABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 ZINC000013668494 555557374 /nfs/dbraw/zinc/55/73/74/555557374.db2.gz CTPRIDBXSNJUMT-FQEVSTJZSA-N 1 1 465.660 3.500 40 0 JHABMO CC[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000014414690 555813538 /nfs/dbraw/zinc/81/35/38/555813538.db2.gz SNVDWYOZSRIFMP-UHFFFAOYSA-N 1 1 478.058 3.620 40 0 JHABMO COc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929472 555981564 /nfs/dbraw/zinc/98/15/64/555981564.db2.gz YLOYSQHCTQDZPR-AREMUKBSSA-N 1 1 454.578 3.637 40 0 JHABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019221918 556335607 /nfs/dbraw/zinc/33/56/07/556335607.db2.gz ZZMMSHHSVWVERS-SANMLTNESA-N 1 1 483.620 3.845 40 0 JHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019499614 556349299 /nfs/dbraw/zinc/34/92/99/556349299.db2.gz MOKXXZCOFQZANF-RUZDIDTESA-N 1 1 485.636 3.875 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000030751931 556371233 /nfs/dbraw/zinc/37/12/33/556371233.db2.gz JHBVHCARBVUNTB-UHFFFAOYSA-N 1 1 467.378 3.570 40 0 JHABMO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(OC(F)(F)F)cc3)n2)cn1 ZINC000035425634 560080721 /nfs/dbraw/zinc/08/07/21/560080721.db2.gz GPUAUHXNNBABPW-KRWDZBQOSA-N 1 1 477.443 3.952 40 0 biogenic,in-vitro JHABMO COCC(=O)Nc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(OC(F)(F)F)cc3)n2)cn1 ZINC000035425634 560080722 /nfs/dbraw/zinc/08/07/22/560080722.db2.gz GPUAUHXNNBABPW-KRWDZBQOSA-N 1 1 477.443 3.952 40 0 biogenic,in-vitro JHABMO COc1ccc(CCNC(=O)c2ccc(C[NH+]3CCN(c4ccccc4OC)CC3)cc2)cc1 ZINC000059436862 569603871 /nfs/dbraw/zinc/60/38/71/569603871.db2.gz MXOQPAGCGYVZDQ-UHFFFAOYSA-N 1 1 459.590 3.999 40 0 JHABMO CCc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000139736555 569867368 /nfs/dbraw/zinc/86/73/68/569867368.db2.gz ULBVEKMKVMISNT-UHFFFAOYSA-N 1 1 477.630 3.789 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000216284627 569878148 /nfs/dbraw/zinc/87/81/48/569878148.db2.gz JZDGEJYBVYJJOR-UHFFFAOYSA-N 1 1 460.559 3.939 40 0 JHABMO CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222847283 569892573 /nfs/dbraw/zinc/89/25/73/569892573.db2.gz XUQLFSDAUFDOSG-UHFFFAOYSA-N 1 1 489.041 3.983 40 0 JHABMO CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222850638 569892705 /nfs/dbraw/zinc/89/27/05/569892705.db2.gz JNHPHERTOSLEJE-UHFFFAOYSA-N 1 1 475.014 3.736 40 0 JHABMO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408598066 569967836 /nfs/dbraw/zinc/96/78/36/569967836.db2.gz ZGUFPMMAVITHHX-VWLOTQADSA-N 1 1 498.048 3.574 40 0 JHABMO CCOC(=O)c1cnc(NC(=S)NCCCNc2cc[nH+]c3cc(Cl)ccc23)nc1C ZINC000225225620 569983885 /nfs/dbraw/zinc/98/38/85/569983885.db2.gz UTDXRBBMXUOUKV-UHFFFAOYSA-N 1 1 458.975 3.952 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000225548479 570004776 /nfs/dbraw/zinc/00/47/76/570004776.db2.gz KLOKKVRWGUHTSM-IBGZPJMESA-N 1 1 472.998 3.551 40 0 JHABMO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000225906873 570026972 /nfs/dbraw/zinc/02/69/72/570026972.db2.gz YJUSBJHXKBWIHH-GOSISDBHSA-N 1 1 484.449 3.609 40 0 JHABMO Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000225906873 570026974 /nfs/dbraw/zinc/02/69/74/570026974.db2.gz YJUSBJHXKBWIHH-GOSISDBHSA-N 1 1 484.449 3.609 40 0 JHABMO CS(=O)(=O)Nc1cc(C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)ccc1Cl ZINC000225970634 570030364 /nfs/dbraw/zinc/03/03/64/570030364.db2.gz DQUZALRMGWXAFK-UHFFFAOYSA-N 1 1 453.351 3.755 40 0 JHABMO C=C1[NH+]=C(SCC(=O)Nc2ccccc2OC)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408993176 570094763 /nfs/dbraw/zinc/09/47/63/570094763.db2.gz VNWLOEHUILCDMR-QHCPKHFHSA-N 1 1 499.589 3.922 40 0 JHABMO COc1ccc(NC(C)=O)cc1CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000257202014 570108362 /nfs/dbraw/zinc/10/83/62/570108362.db2.gz AKCYHPZZQVTVCK-YOSAUDMPSA-N 1 1 453.558 3.610 40 0 JHABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257205462 570109377 /nfs/dbraw/zinc/10/93/77/570109377.db2.gz AZEAKYJGHFIHKW-AREMUKBSSA-N 1 1 489.060 3.909 40 0 JHABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257205463 570109440 /nfs/dbraw/zinc/10/94/40/570109440.db2.gz AZEAKYJGHFIHKW-SANMLTNESA-N 1 1 489.060 3.909 40 0 JHABMO Cc1cncc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000257211565 570111618 /nfs/dbraw/zinc/11/16/18/570111618.db2.gz BZJHOVYVKKQPKD-UHFFFAOYSA-N 1 1 485.028 3.509 40 0 JHABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@@H+]2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)c1 ZINC000257221997 570114716 /nfs/dbraw/zinc/11/47/16/570114716.db2.gz DRMOYJCEOATKHS-IBGZPJMESA-N 1 1 451.523 3.529 40 0 JHABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@H+]2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)c1 ZINC000257221997 570114717 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/nfs/dbraw/zinc/13/36/99/570133699.db2.gz OYPPFPKJCIORMQ-RUZDIDTESA-N 1 1 475.033 3.770 40 0 JHABMO CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)CC[NH+]4CCOCC4)CC3)CO[C@H]21 ZINC000257284464 570133921 /nfs/dbraw/zinc/13/39/21/570133921.db2.gz PCUNQHKJZAVZSG-XUZZJYLKSA-N 1 1 472.626 3.665 40 0 JHABMO Cc1noc(C)c1COc1ccc(C[N@H+]2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257307859 570140695 /nfs/dbraw/zinc/14/06/95/570140695.db2.gz TUKKHBVWSNYICT-NDEPHWFRSA-N 1 1 476.621 3.629 40 0 JHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)NC1CCCCC1 ZINC000001342318 194098729 /nfs/dbraw/zinc/09/87/29/194098729.db2.gz HICRBMGFLAUUBC-HXUWFJFHSA-N 1 1 454.571 3.585 40 0 JHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000020451427 523021007 /nfs/dbraw/zinc/02/10/07/523021007.db2.gz CNMJNJOZVVKSNO-NRFANRHFSA-N 1 1 470.079 3.653 40 0 JHABMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044882378 525025186 /nfs/dbraw/zinc/02/51/86/525025186.db2.gz IFOIESKMPDVUPF-UHFFFAOYSA-N 1 1 468.579 3.675 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000022521769 527372796 /nfs/dbraw/zinc/37/27/96/527372796.db2.gz KELJQHRTAOFJDR-MRXNPFEDSA-N 1 1 460.987 3.613 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000020483527 527385290 /nfs/dbraw/zinc/38/52/90/527385290.db2.gz HDORPXTZUYXGKK-CQSZACIVSA-N 1 1 481.405 3.958 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000020493436 527386739 /nfs/dbraw/zinc/38/67/39/527386739.db2.gz NXLGTHWZCPGLBL-UHFFFAOYSA-N 1 1 472.998 3.939 40 0 JHABMO Cc1cc2cc(C[N@@H+](CCCO)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498955 555426507 /nfs/dbraw/zinc/42/65/07/555426507.db2.gz LBRUNFJMKKCUFK-VWLOTQADSA-N 1 1 492.599 3.901 40 0 JHABMO Cc1cc2cc(C[N@H+](CCCO)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498955 555426510 /nfs/dbraw/zinc/42/65/10/555426510.db2.gz LBRUNFJMKKCUFK-VWLOTQADSA-N 1 1 492.599 3.901 40 0 JHABMO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013499645 555433998 /nfs/dbraw/zinc/43/39/98/555433998.db2.gz UUFFALOFURMLER-JOCHJYFZSA-N 1 1 480.613 3.981 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501130 555447692 /nfs/dbraw/zinc/44/76/92/555447692.db2.gz GETJAZDMEZYLEM-OAQYLSRUSA-N 1 1 466.586 3.672 40 0 JHABMO O=C(C[NH+]1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000013564895 555500267 /nfs/dbraw/zinc/50/02/67/555500267.db2.gz WRHHWEANBABKMY-UHFFFAOYSA-N 1 1 485.510 3.571 40 0 JHABMO Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000013585183 555523139 /nfs/dbraw/zinc/52/31/39/555523139.db2.gz ZIGDRHUYFDNJNN-UHFFFAOYSA-N 1 1 493.629 3.543 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000020045696 555616572 /nfs/dbraw/zinc/61/65/72/555616572.db2.gz FDYZHHGTYWGPOS-UHFFFAOYSA-N 1 1 454.596 3.660 40 0 JHABMO CC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020107886 555642165 /nfs/dbraw/zinc/64/21/65/555642165.db2.gz VHTHKOMPRHSVIL-HXUWFJFHSA-N 1 1 460.987 3.695 40 0 JHABMO COc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000020109221 555644982 /nfs/dbraw/zinc/64/49/82/555644982.db2.gz QEUFUSDRLOUWJJ-UHFFFAOYSA-N 1 1 484.984 3.947 40 0 JHABMO CC(=O)N1c2ccc(C)cc2[C@H](N(C(=O)C[NH+]2CCC(C(N)=O)CC2)c2ccc(C)cc2)C[C@H]1C ZINC000010383819 555702773 /nfs/dbraw/zinc/70/27/73/555702773.db2.gz UCBWXRMQTAWQGL-FQRUVTKNSA-N 1 1 476.621 3.720 40 0 JHABMO CC(=O)N1c2ccc(C)cc2[C@@H](N(C(=O)C[NH+]2CCC(C(N)=O)CC2)c2ccc(C)cc2)C[C@H]1C ZINC000010383827 555702789 /nfs/dbraw/zinc/70/27/89/555702789.db2.gz UCBWXRMQTAWQGL-IBVKSMDESA-N 1 1 476.621 3.720 40 0 JHABMO CC[NH+]1CCN(C(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000014155353 555713664 /nfs/dbraw/zinc/71/36/64/555713664.db2.gz VDZUWWSASLPSPF-UHFFFAOYSA-N 1 1 470.422 3.661 40 0 JHABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 ZINC000010544228 555726047 /nfs/dbraw/zinc/72/60/47/555726047.db2.gz HBTHSCVHKCIFRS-HXUWFJFHSA-N 1 1 465.660 3.644 40 0 JHABMO COc1cc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000022928676 555979702 /nfs/dbraw/zinc/97/97/02/555979702.db2.gz XFMGDMHBUIKGSE-VWLOTQADSA-N 1 1 492.624 3.721 40 0 JHABMO CCC(C)(C)n1nnnc1[C@H](c1cccc(OC)c1OC)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022928811 555980066 /nfs/dbraw/zinc/98/00/66/555980066.db2.gz KLBJMZJGZKDBHV-QHCPKHFHSA-N 1 1 464.614 3.743 40 0 JHABMO COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929484 555981605 /nfs/dbraw/zinc/98/16/05/555981605.db2.gz LHIAZFVIUYUFOG-HHHXNRCGSA-N 1 1 468.605 3.946 40 0 JHABMO O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000026851008 556264661 /nfs/dbraw/zinc/26/46/61/556264661.db2.gz YWZHPRQSLIDCNG-ZYQDXHPFSA-N 1 1 479.492 3.569 40 0 JHABMO O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000026851008 556264665 /nfs/dbraw/zinc/26/46/65/556264665.db2.gz YWZHPRQSLIDCNG-ZYQDXHPFSA-N 1 1 479.492 3.569 40 0 JHABMO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000019236417 556337037 /nfs/dbraw/zinc/33/70/37/556337037.db2.gz VUMYCKDXEUQECK-AREMUKBSSA-N 1 1 483.620 3.845 40 0 JHABMO O=C(NC[C@H]1OC[C@@H]([NH+](Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@@H]1O)c1ccccc1 ZINC000077263670 560046420 /nfs/dbraw/zinc/04/64/20/560046420.db2.gz ALPBPJPGPXYATO-SDHSZQHLSA-N 1 1 452.501 3.525 40 0 biogenic,in-vitro JHABMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@]32c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000100184812 569754966 /nfs/dbraw/zinc/75/49/66/569754966.db2.gz BTOBZXHDANZKDV-CPBHOCDRSA-N 1 1 493.563 3.721 40 0 JHABMO NC(=O)C1(C2CCCCC2)CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000036618852 569778538 /nfs/dbraw/zinc/77/85/38/569778538.db2.gz 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Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000020483093 527373802 /nfs/dbraw/zinc/37/38/02/527373802.db2.gz OQLLXRGTDDFPFN-UHFFFAOYSA-N 1 1 460.559 3.936 40 0 JHABMO Cc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NC3CCCCC3)c(=O)[nH]c2cc1C ZINC000000878916 553815056 /nfs/dbraw/zinc/81/50/56/553815056.db2.gz GJLXXDBBCJUWQY-UHFFFAOYSA-N 1 1 470.683 3.876 40 0 JHABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)[NH+]2CCCCCC2)cc1 ZINC000006444113 554538361 /nfs/dbraw/zinc/53/83/61/554538361.db2.gz HRKHYFIKZVFRPS-XMMPIXPASA-N 1 1 458.566 3.845 40 0 JHABMO COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000008928343 554825868 /nfs/dbraw/zinc/82/58/68/554825868.db2.gz ZBVCFLCTSXZHQA-UHFFFAOYSA-N 1 1 497.846 3.990 40 0 JHABMO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)C3(c4nnnn4C4CCCCC4)CCCC3)cc2c1 ZINC000013501240 555448756 /nfs/dbraw/zinc/44/87/56/555448756.db2.gz GMOUEBLOSGQHDU-UHFFFAOYSA-N 1 1 464.614 3.982 40 0 JHABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)C3(c4nnnn4C4CCCCC4)CCCC3)cc2c1 ZINC000013501240 555448759 /nfs/dbraw/zinc/44/87/59/555448759.db2.gz GMOUEBLOSGQHDU-UHFFFAOYSA-N 1 1 464.614 3.982 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 ZINC000019932182 555549793 /nfs/dbraw/zinc/54/97/93/555549793.db2.gz ZUEOAYMZLKCZLC-UHFFFAOYSA-N 1 1 460.559 3.936 40 0 JHABMO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940624 555559195 /nfs/dbraw/zinc/55/91/95/555559195.db2.gz AIZICULOQGNBHP-AREMUKBSSA-N 1 1 499.619 3.546 40 0 JHABMO CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013677862 555568905 /nfs/dbraw/zinc/56/89/05/555568905.db2.gz RJTKNSZCICUPJM-UHFFFAOYSA-N 1 1 481.593 3.750 40 0 JHABMO COc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000026100041 556241169 /nfs/dbraw/zinc/24/11/69/556241169.db2.gz FBIQSGGMQMLGDS-UHFFFAOYSA-N 1 1 480.634 3.766 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064668 556262281 /nfs/dbraw/zinc/26/22/81/556262281.db2.gz RUOGBKKPKMPBLT-JOCHJYFZSA-N 1 1 466.586 3.590 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064668 556262283 /nfs/dbraw/zinc/26/22/83/556262283.db2.gz RUOGBKKPKMPBLT-JOCHJYFZSA-N 1 1 466.586 3.590 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065095 556263839 /nfs/dbraw/zinc/26/38/39/556263839.db2.gz TUFHWAYFKDZOAA-NRFANRHFSA-N 1 1 466.586 3.590 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000013065095 556263843 /nfs/dbraw/zinc/26/38/43/556263843.db2.gz TUFHWAYFKDZOAA-NRFANRHFSA-N 1 1 466.586 3.590 40 0 JHABMO COc1ccccc1NC(=O)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019234239 556336697 /nfs/dbraw/zinc/33/66/97/556336697.db2.gz KXACROOEKBJHHS-UHFFFAOYSA-N 1 1 478.593 3.910 40 0 JHABMO COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000030848004 556376110 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569835723 /nfs/dbraw/zinc/83/57/23/569835723.db2.gz YWZHPRQSLIDCNG-JBXUNAHCSA-N 1 1 479.492 3.569 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000225548630 570004764 /nfs/dbraw/zinc/00/47/64/570004764.db2.gz AETQQHUHNJNXOP-IBGZPJMESA-N 1 1 472.998 3.551 40 0 JHABMO COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000408700959 570021418 /nfs/dbraw/zinc/02/14/18/570021418.db2.gz PAZDMILJEJOODL-DEOSSOPVSA-N 1 1 499.677 3.564 40 0 JHABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCCSc3ccccn3)cc2)CC1 ZINC000408861604 570057429 /nfs/dbraw/zinc/05/74/29/570057429.db2.gz TWGJXJSTZPKTFE-UHFFFAOYSA-N 1 1 462.619 3.935 40 0 JHABMO CC(C)n1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c2ccccc2c1=O ZINC000257199198 570107581 /nfs/dbraw/zinc/10/75/81/570107581.db2.gz WFJPDQLFFXTXBG-HTDOXSGGSA-N 1 1 460.622 3.942 40 0 JHABMO Clc1cccc(Oc2nccnc2C2CC[NH+](Cc3ccnc(N4CCOCC4)n3)CC2)c1 ZINC000257205358 570109448 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FHDBHXQVBOROJH-GOSISDBHSA-N 1 1 466.973 3.929 40 0 JHABMO Cc1ccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000257257359 570125345 /nfs/dbraw/zinc/12/53/45/570125345.db2.gz KPFHNBCFHQXZOI-UHFFFAOYSA-N 1 1 485.028 3.509 40 0 JHABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H]2CCCCC(=O)N3Cc2cccc(C)c2)cc1 ZINC000257266616 570128527 /nfs/dbraw/zinc/12/85/27/570128527.db2.gz MDSMPUXKAMJPNG-LOSJGSFVSA-N 1 1 462.594 3.938 40 0 JHABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H]2CCCCC(=O)N3Cc2cccc(C)c2)cc1 ZINC000257266616 570128529 /nfs/dbraw/zinc/12/85/29/570128529.db2.gz MDSMPUXKAMJPNG-LOSJGSFVSA-N 1 1 462.594 3.938 40 0 JHABMO C[NH+]1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000257281979 570133306 /nfs/dbraw/zinc/13/33/06/570133306.db2.gz ORTVSPYKNVGTHX-UHFFFAOYSA-N 1 1 470.013 3.806 40 0 JHABMO Cn1c(CNC(=O)C[N@@H+]2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)nc2ccccc21 ZINC000257305754 570140006 /nfs/dbraw/zinc/14/00/06/570140006.db2.gz SRJMPTADKMFQNL-WCYRKSIYSA-N 1 1 477.584 3.593 40 0 JHABMO Cn1c(CNC(=O)C[N@H+]2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)nc2ccccc21 ZINC000257305754 570140008 /nfs/dbraw/zinc/14/00/08/570140008.db2.gz SRJMPTADKMFQNL-WCYRKSIYSA-N 1 1 477.584 3.593 40 0 JHABMO Cc1nccn1CCCOc1cccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)c1 ZINC000257329608 570147325 /nfs/dbraw/zinc/14/73/25/570147325.db2.gz XKSFMGRLVJMSEG-UIOOFZCWSA-N 1 1 486.012 3.691 40 0 JHABMO Cc1ncsc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257332764 570148421 /nfs/dbraw/zinc/14/84/21/570148421.db2.gz XYOCYCXKKBCQAJ-UHFFFAOYSA-N 1 1 491.057 3.570 40 0 JHABMO Cc1cccc(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000257342439 570151115 /nfs/dbraw/zinc/15/11/15/570151115.db2.gz ZOPVJFKAXOSPBY-UHFFFAOYSA-N 1 1 485.028 3.509 40 0 JHABMO CC(C)[C@@H](C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 ZINC000003940643 194366999 /nfs/dbraw/zinc/36/69/99/194366999.db2.gz ZLVXBBHTMQJRSX-VMGNSXQWSA-N 1 1 465.638 3.553 40 0 in-vitro JHABMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C2CCCCC2)cc1 ZINC000408635683 195486078 /nfs/dbraw/zinc/48/60/78/195486078.db2.gz HERHGAVPBLSAKZ-UHFFFAOYSA-N 1 1 499.677 3.753 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCC1 ZINC000013498456 520921283 /nfs/dbraw/zinc/92/12/83/520921283.db2.gz HDUKCNXPMQGRBC-XMMPIXPASA-N 1 1 480.613 3.782 40 0 JHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)[NH+]1CCCCCC1 ZINC000006149094 521372841 /nfs/dbraw/zinc/37/28/41/521372841.db2.gz BMUAZWOAZKKYTH-OAQYLSRUSA-N 1 1 454.575 3.642 40 0 JHABMO COc1ccc(NC(=O)N(CCC[NH+]2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000020109177 524538255 /nfs/dbraw/zinc/53/82/55/524538255.db2.gz WFFZDKSYJFLLKN-UHFFFAOYSA-N 1 1 478.593 3.910 40 0 JHABMO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+](C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000006198619 525638809 /nfs/dbraw/zinc/63/88/09/525638809.db2.gz JSOVALJYUDUNDZ-DEOSSOPVSA-N 1 1 458.566 3.925 40 0 JHABMO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+](C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000006198619 525638822 /nfs/dbraw/zinc/63/88/22/525638822.db2.gz JSOVALJYUDUNDZ-DEOSSOPVSA-N 1 1 458.566 3.925 40 0 JHABMO C[C@H]1CC[N@H+]2C[C@]34C[C@]5(c6ccc7c(c6NC5=O)OC=CC(C)(C)O7)C(C)(C)[C@@H]3C[C@]12C(=O)N4C ZINC000000603253 553711563 /nfs/dbraw/zinc/71/15/63/553711563.db2.gz XNXXZRQPTAQILV-PYGUQFFJSA-N 1 1 477.605 3.681 40 0 biogenic,in-vitro JHABMO COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282918 554526010 /nfs/dbraw/zinc/52/60/10/554526010.db2.gz FVBYQCKUVXLNDE-ZJSXRUAMSA-N 1 1 492.624 3.838 40 0 JHABMO COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282918 554526012 /nfs/dbraw/zinc/52/60/12/554526012.db2.gz FVBYQCKUVXLNDE-ZJSXRUAMSA-N 1 1 492.624 3.838 40 0 JHABMO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)[NH+]2CCCCCC2)cc1 ZINC000006409917 554535072 /nfs/dbraw/zinc/53/50/72/554535072.db2.gz JIIVUVFHROZEAD-DEOSSOPVSA-N 1 1 458.566 3.845 40 0 JHABMO O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009320072 555094872 /nfs/dbraw/zinc/09/48/72/555094872.db2.gz YWZHPRQSLIDCNG-CXSMSNRLSA-N 1 1 479.492 3.569 40 0 JHABMO O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009320072 555094875 /nfs/dbraw/zinc/09/48/75/555094875.db2.gz YWZHPRQSLIDCNG-CXSMSNRLSA-N 1 1 479.492 3.569 40 0 JHABMO Cc1cccc2cc([C@H](c3nnnn3Cc3ccc4c(c3)OCO4)[NH+]3CCCCCC3)c(=O)[nH]c12 ZINC000013496078 555410886 /nfs/dbraw/zinc/41/08/86/555410886.db2.gz XSNGKLUAGXOZHA-XMMPIXPASA-N 1 1 472.549 3.565 40 0 JHABMO COCCn1nnnc1[C@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498699 555423725 /nfs/dbraw/zinc/42/37/25/555423725.db2.gz JSVLNZRTKTWQFX-VWLOTQADSA-N 1 1 490.608 3.612 40 0 JHABMO COCCn1nnnc1[C@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498699 555423727 /nfs/dbraw/zinc/42/37/27/555423727.db2.gz JSVLNZRTKTWQFX-VWLOTQADSA-N 1 1 490.608 3.612 40 0 JHABMO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013498777 555424724 /nfs/dbraw/zinc/42/47/24/555424724.db2.gz OMGRBUNOEPDYRI-QHCPKHFHSA-N 1 1 468.602 3.702 40 0 JHABMO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499111 555427939 /nfs/dbraw/zinc/42/79/39/555427939.db2.gz SPOKULDTBNIVGL-QHCPKHFHSA-N 1 1 452.603 3.920 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500639 555442059 /nfs/dbraw/zinc/44/20/59/555442059.db2.gz VGRAZILGWRWAMS-QHCPKHFHSA-N 1 1 466.586 3.528 40 0 JHABMO COc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000020109215 555644972 /nfs/dbraw/zinc/64/49/72/555644972.db2.gz ONLWBYOPFFOUNW-UHFFFAOYSA-N 1 1 484.984 3.947 40 0 JHABMO CCC(C)(C)n1nnnc1[C@H](c1cc(OC)ccc1OC)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022921188 555975080 /nfs/dbraw/zinc/97/50/80/555975080.db2.gz ANONKCYVOGEEKP-DEOSSOPVSA-N 1 1 464.614 3.743 40 0 JHABMO Fc1ccc(Cn2nnnc2[C@H](c2ccccc2F)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929402 555981537 /nfs/dbraw/zinc/98/15/37/555981537.db2.gz NGVLSUGDMSZXOD-VWLOTQADSA-N 1 1 460.532 3.907 40 0 JHABMO Fc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929900 555982785 /nfs/dbraw/zinc/98/27/85/555982785.db2.gz XMJKKQGPXNGGJC-SANMLTNESA-N 1 1 456.569 3.962 40 0 JHABMO COc1ccc(CCn2nnnc2[C@@H](CC(C)C)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022929979 555983052 /nfs/dbraw/zinc/98/30/52/555983052.db2.gz VEARZBYSZXFPRO-XMMPIXPASA-N 1 1 478.641 3.838 40 0 JHABMO COc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000019563460 556354444 /nfs/dbraw/zinc/35/44/44/556354444.db2.gz PGAQJRCOHHXEBM-UHFFFAOYSA-N 1 1 484.984 3.947 40 0 JHABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1C ZINC000019823496 556393734 /nfs/dbraw/zinc/39/37/34/556393734.db2.gz QJCAZPZEXJIHEN-UHFFFAOYSA-N 1 1 492.689 3.786 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NCCc3ccccc3)cc12 ZINC000019824178 556395127 /nfs/dbraw/zinc/39/51/27/556395127.db2.gz IMTSROSCMIZFHD-UHFFFAOYSA-N 1 1 492.689 3.786 40 0 JHABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2ccc3nsnc3c2)CC1 ZINC000057313737 569596736 /nfs/dbraw/zinc/59/67/36/569596736.db2.gz CCGUZOZNXSMFKB-UHFFFAOYSA-N 1 1 461.016 3.613 40 0 JHABMO CCN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000039985312 569812921 /nfs/dbraw/zinc/81/29/21/569812921.db2.gz ZNTXHJBSMAZIOH-UHFFFAOYSA-N 1 1 477.630 3.631 40 0 JHABMO CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222667880 569888070 /nfs/dbraw/zinc/88/80/70/569888070.db2.gz BPUYPTYENQFPJS-UHFFFAOYSA-N 1 1 491.013 3.574 40 0 JHABMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000408624084 569979640 /nfs/dbraw/zinc/97/96/40/569979640.db2.gz FFVRQZUXGAPXIY-UHFFFAOYSA-N 1 1 493.629 3.534 40 0 JHABMO CS(=O)(=O)N[C@@H](CC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(F)cc1 ZINC000225944332 570029053 /nfs/dbraw/zinc/02/90/53/570029053.db2.gz BOSPVKHJIUYSPS-FQEVSTJZSA-N 1 1 478.977 3.626 40 0 JHABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000226072088 570035810 /nfs/dbraw/zinc/03/58/10/570035810.db2.gz OHDQPMMFUVSOPS-UHFFFAOYSA-N 1 1 472.998 3.517 40 0 JHABMO CC(C)n1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc2c1=O ZINC000257199197 570107598 /nfs/dbraw/zinc/10/75/98/570107598.db2.gz WFJPDQLFFXTXBG-CIQIAWSTSA-N 1 1 460.622 3.942 40 0 JHABMO Cc1cc(Oc2ccc(F)cc2)nc(C2CC[NH+](Cc3ccnc(N4CCOCC4)n3)CC2)n1 ZINC000257226987 570116193 /nfs/dbraw/zinc/11/61/93/570116193.db2.gz FNCKAWMYJHFPAZ-UHFFFAOYSA-N 1 1 464.545 3.723 40 0 JHABMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257230259 570117134 /nfs/dbraw/zinc/11/71/34/570117134.db2.gz GBMMMNFBLLGLEL-UGKGYDQZSA-N 1 1 458.990 3.544 40 0 JHABMO C[N@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257246334 570122000 /nfs/dbraw/zinc/12/20/00/570122000.db2.gz ITPUAOMIKWBDSC-LJQANCHMSA-N 1 1 490.526 3.549 40 0 JHABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)COC[C@@H]4CCCO4)C[C@@H]32)cc1 ZINC000257253875 570124408 /nfs/dbraw/zinc/12/44/08/570124408.db2.gz KAPTZAFCROMQDD-FICKONGGSA-N 1 1 464.606 3.707 40 0 JHABMO COc1ccc(NC(=O)C[N@@H+]2[C@H](c3cccc(OC)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)cc1 ZINC000257261627 570126852 /nfs/dbraw/zinc/12/68/52/570126852.db2.gz LIDZTKFTTHMLIC-FXSPECFOSA-N 1 1 451.567 3.907 40 0 JHABMO COc1ccc(NC(=O)C[N@H+]2[C@H](c3cccc(OC)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)cc1 ZINC000257261627 570126853 /nfs/dbraw/zinc/12/68/53/570126853.db2.gz LIDZTKFTTHMLIC-FXSPECFOSA-N 1 1 451.567 3.907 40 0 JHABMO Cc1ccc(F)cc1CN1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257272484 570130444 /nfs/dbraw/zinc/13/04/44/570130444.db2.gz NCORMTODHNICOB-AREMUKBSSA-N 1 1 490.019 3.602 40 0 JHABMO O=C([C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408535140 570189760 /nfs/dbraw/zinc/18/97/60/570189760.db2.gz UTVLJPFVGLWUQW-LJQANCHMSA-N 1 1 496.460 3.739 40 0 JHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1OC ZINC000001342336 194098611 /nfs/dbraw/zinc/09/86/11/194098611.db2.gz ZBCHQFLQFGUTDY-LJQANCHMSA-N 1 1 478.549 3.784 40 0 JHABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000001374877 194109530 /nfs/dbraw/zinc/10/95/30/194109530.db2.gz CDWLVERZDHIATM-JOCHJYFZSA-N 1 1 490.564 3.823 40 0 JHABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000001374877 194109532 /nfs/dbraw/zinc/10/95/32/194109532.db2.gz CDWLVERZDHIATM-JOCHJYFZSA-N 1 1 490.564 3.823 40 0 JHABMO CCOC(=O)c1cccc(NC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000012640479 195070275 /nfs/dbraw/zinc/07/02/75/195070275.db2.gz QBZIMZLIYFDLSS-UHFFFAOYSA-N 1 1 475.471 3.902 40 0 JHABMO COc1cc2ccnc([C@@]3(O)CC[N@H+]4CCc5cc(OC)c(OC)cc5[C@@H]4C3)c2cc1OC ZINC000005373832 523061357 /nfs/dbraw/zinc/06/13/57/523061357.db2.gz SZYNDAOHCHSDSO-RXFWQSSRSA-N 1 1 450.535 3.850 40 0 JHABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019568050 524340256 /nfs/dbraw/zinc/34/02/56/524340256.db2.gz XAMKJDCIXFFBCC-RUZDIDTESA-N 1 1 485.636 3.794 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1 ZINC000020482564 527371960 /nfs/dbraw/zinc/37/19/60/527371960.db2.gz VBMYZIVIJCRJBA-UHFFFAOYSA-N 1 1 458.971 3.549 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000044880625 527385806 /nfs/dbraw/zinc/38/58/06/527385806.db2.gz MMIRWFQKIJGMGM-UHFFFAOYSA-N 1 1 452.580 3.594 40 0 JHABMO COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282908 554525958 /nfs/dbraw/zinc/52/59/58/554525958.db2.gz FVBYQCKUVXLNDE-XUZZJYLKSA-N 1 1 492.624 3.838 40 0 JHABMO COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282908 554525962 /nfs/dbraw/zinc/52/59/62/554525962.db2.gz FVBYQCKUVXLNDE-XUZZJYLKSA-N 1 1 492.624 3.838 40 0 JHABMO COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006409163 554534562 /nfs/dbraw/zinc/53/45/62/554534562.db2.gz ZQNMZAZZOHOTQA-JOCHJYFZSA-N 1 1 450.587 3.605 40 0 JHABMO COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006409163 554534568 /nfs/dbraw/zinc/53/45/68/554534568.db2.gz ZQNMZAZZOHOTQA-JOCHJYFZSA-N 1 1 450.587 3.605 40 0 JHABMO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013498983 555426752 /nfs/dbraw/zinc/42/67/52/555426752.db2.gz LFSUICFPTBKUIZ-QHCPKHFHSA-N 1 1 452.603 3.920 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500617 555442185 /nfs/dbraw/zinc/44/21/85/555442185.db2.gz CHMOWFAWFJVUMJ-QHCPKHFHSA-N 1 1 466.586 3.528 40 0 JHABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501110 555447740 /nfs/dbraw/zinc/44/77/40/555447740.db2.gz YSSOYGPKSNYNDR-FCHUYYIVSA-N 1 1 450.587 3.898 40 0 JHABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501110 555447742 /nfs/dbraw/zinc/44/77/42/555447742.db2.gz YSSOYGPKSNYNDR-FCHUYYIVSA-N 1 1 450.587 3.898 40 0 JHABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013501203 555448124 /nfs/dbraw/zinc/44/81/24/555448124.db2.gz OKWXQQANZDBRGD-NRFANRHFSA-N 1 1 476.537 3.781 40 0 JHABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013501203 555448126 /nfs/dbraw/zinc/44/81/26/555448126.db2.gz OKWXQQANZDBRGD-NRFANRHFSA-N 1 1 476.537 3.781 40 0 JHABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013501213 555448617 /nfs/dbraw/zinc/44/86/17/555448617.db2.gz SMNHLSIXSGXQSP-UNMCSNQZSA-N 1 1 494.596 3.708 40 0 JHABMO Cn1c(SCc2ccccc2)nnc1C1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000013565098 555500930 /nfs/dbraw/zinc/50/09/30/555500930.db2.gz KESRQSNLINPWKU-UHFFFAOYSA-N 1 1 479.606 3.697 40 0 JHABMO COc1cccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000019933877 555550910 /nfs/dbraw/zinc/55/09/10/555550910.db2.gz PYACUMFWENCSDX-UHFFFAOYSA-N 1 1 490.585 3.701 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000020050469 555619719 /nfs/dbraw/zinc/61/97/19/555619719.db2.gz WKBDTJIUVQXFIF-UHFFFAOYSA-N 1 1 467.378 3.570 40 0 JHABMO COc1cc2cccnc2c(NCCN2CC[NH+](CCNc3cc(OC)cc4cccnc43)CC2)c1 ZINC000022581133 555939992 /nfs/dbraw/zinc/93/99/92/555939992.db2.gz IBQRWZTXXRLMDM-UHFFFAOYSA-N 1 1 486.620 3.942 40 0 JHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc(OC)ccc1OC)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022921193 555975064 /nfs/dbraw/zinc/97/50/64/555975064.db2.gz ANONKCYVOGEEKP-XMMPIXPASA-N 1 1 464.614 3.743 40 0 JHABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064283 556261835 /nfs/dbraw/zinc/26/18/35/556261835.db2.gz INOZRACELRVJBR-JTHBVZDNSA-N 1 1 466.586 3.598 40 0 JHABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064283 556261836 /nfs/dbraw/zinc/26/18/36/556261836.db2.gz INOZRACELRVJBR-JTHBVZDNSA-N 1 1 466.586 3.598 40 0 JHABMO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019721878 556361871 /nfs/dbraw/zinc/36/18/71/556361871.db2.gz ROBGQYLZXYOUOO-QFIPXVFZSA-N 1 1 477.630 3.596 40 0 JHABMO COc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000019822747 556392438 /nfs/dbraw/zinc/39/24/38/556392438.db2.gz CBDKDXXHNACXGP-UHFFFAOYSA-N 1 1 480.634 3.766 40 0 JHABMO COc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1 ZINC000019824706 556396162 /nfs/dbraw/zinc/39/61/62/556396162.db2.gz ZBCWHHUFVASSJR-HXUWFJFHSA-N 1 1 494.661 3.697 40 0 JHABMO CCCS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000008635474 560210292 /nfs/dbraw/zinc/21/02/92/560210292.db2.gz ZWEGHDMMPGTGRY-WWNPGLIZSA-N 1 1 452.624 3.748 40 0 biogenic,in-vitro JHABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(I)cc3)[nH]2)cc1OC ZINC000095534277 569725493 /nfs/dbraw/zinc/72/54/93/569725493.db2.gz FQVKYOXGGYCSRA-MRXNPFEDSA-N 1 1 450.280 3.532 40 0 JHABMO O=C(c1ccc(F)cc1)N1CCC(C2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC000100226920 569755882 /nfs/dbraw/zinc/75/58/82/569755882.db2.gz DVRLVTXEMDDFBI-DEOSSOPVSA-N 1 1 481.543 3.861 40 0 JHABMO COc1cc([C@H]2[NH+]=C(N3CCC(Cc4ccccc4)CC3)Nc3nc(C)cc(=O)n32)ccc1O ZINC000104280039 569844590 /nfs/dbraw/zinc/84/45/90/569844590.db2.gz KQPNLRWDLQHBSO-DEOSSOPVSA-N 1 1 459.550 3.549 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000216250840 569877960 /nfs/dbraw/zinc/87/79/60/569877960.db2.gz RHYGIVRCQKHZGQ-UHFFFAOYSA-N 1 1 472.998 3.939 40 0 JHABMO CSc1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1NC(=O)C(C)C ZINC000223320471 569907400 /nfs/dbraw/zinc/90/74/00/569907400.db2.gz UOEGYLJNTGNXJO-UHFFFAOYSA-N 1 1 461.653 3.730 40 0 JHABMO CN([C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1)S(C)(=O)=O ZINC000224287739 569939422 /nfs/dbraw/zinc/93/94/22/569939422.db2.gz HPKSLXGIWBVXLY-AREMUKBSSA-N 1 1 477.630 3.553 40 0 JHABMO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224720941 569954691 /nfs/dbraw/zinc/95/46/91/569954691.db2.gz SAQAEXCDUGKCMK-UHFFFAOYSA-N 1 1 493.629 3.582 40 0 JHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000225552552 570005085 /nfs/dbraw/zinc/00/50/85/570005085.db2.gz BUIXEBVCBNVJMB-UYAOXDASSA-N 1 1 456.052 3.512 40 0 JHABMO O=c1sc2cc(S(=O)(=O)NCCC[N@H+]3CCc4ccccc4C3)ccc2n1Cc1ccccc1 ZINC000225751465 570020007 /nfs/dbraw/zinc/02/00/07/570020007.db2.gz XRBACARTTXAOGG-UHFFFAOYSA-N 1 1 493.654 3.838 40 0 JHABMO Cc1nonc1COc1ccccc1C(=O)N1CC[N@H+](C)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257200454 570107935 /nfs/dbraw/zinc/10/79/35/570107935.db2.gz ADKJERGWZICWQK-FQEVSTJZSA-N 1 1 471.561 3.752 40 0 JHABMO CCCn1c2ccc(NC(=O)C[N@@H+]3CC[C@H]4[C@@H]3CCCC(=O)N4Cc3ccccc3)cc2oc1=O ZINC000257202314 570108460 /nfs/dbraw/zinc/10/84/60/570108460.db2.gz ALGFSHDHYLQUMJ-VXKWHMMOSA-N 1 1 476.577 3.599 40 0 JHABMO CCCn1c2ccc(NC(=O)C[N@H+]3CC[C@H]4[C@@H]3CCCC(=O)N4Cc3ccccc3)cc2oc1=O ZINC000257202314 570108461 /nfs/dbraw/zinc/10/84/61/570108461.db2.gz ALGFSHDHYLQUMJ-VXKWHMMOSA-N 1 1 476.577 3.599 40 0 JHABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)c1 ZINC000257221998 570114763 /nfs/dbraw/zinc/11/47/63/570114763.db2.gz DRMOYJCEOATKHS-LJQANCHMSA-N 1 1 451.523 3.529 40 0 JHABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)c1 ZINC000257221998 570114764 /nfs/dbraw/zinc/11/47/64/570114764.db2.gz DRMOYJCEOATKHS-LJQANCHMSA-N 1 1 451.523 3.529 40 0 JHABMO COCCNc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)cc2ccccc21 ZINC000257253662 570124422 /nfs/dbraw/zinc/12/44/22/570124422.db2.gz JZTVWLSZQNIBJD-LJQANCHMSA-N 1 1 489.576 3.556 40 0 JHABMO COCCNc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)cc2ccccc21 ZINC000257253662 570124423 /nfs/dbraw/zinc/12/44/23/570124423.db2.gz JZTVWLSZQNIBJD-LJQANCHMSA-N 1 1 489.576 3.556 40 0 JHABMO C[N@H+](Cc1ccc(OCCN2CCCC2=O)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257265228 570128084 /nfs/dbraw/zinc/12/80/84/570128084.db2.gz LXUZCNORRMVTCS-IBGZPJMESA-N 1 1 490.526 3.549 40 0 JHABMO C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000257269908 570129576 /nfs/dbraw/zinc/12/95/76/570129576.db2.gz MRXSVKROEDQBET-DEOSSOPVSA-N 1 1 460.977 3.623 40 0 JHABMO CC(C)CC(=O)N1CCC[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257271578 570130000 /nfs/dbraw/zinc/13/00/00/570130000.db2.gz MYXAMMRBZQCXDJ-XMMPIXPASA-N 1 1 450.023 3.538 40 0 JHABMO Cc1nc(CN2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)C2)co1 ZINC000257283503 570133660 /nfs/dbraw/zinc/13/36/60/570133660.db2.gz OYPPFPKJCIORMQ-VWLOTQADSA-N 1 1 475.033 3.770 40 0 JHABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCC[N@@H+]2Cc2ccnc(N3CCOCC3)n2)n1 ZINC000257295847 570137134 /nfs/dbraw/zinc/13/71/34/570137134.db2.gz RADSICFCDOTFFU-NRFANRHFSA-N 1 1 465.989 3.733 40 0 JHABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCC[N@H+]2Cc2ccnc(N3CCOCC3)n2)n1 ZINC000257295847 570137135 /nfs/dbraw/zinc/13/71/35/570137135.db2.gz RADSICFCDOTFFU-NRFANRHFSA-N 1 1 465.989 3.733 40 0 JHABMO COc1cccc(C[C@H]2CC[C@@H]3C[N@@H+](CC(=O)Nc4cc(OC)ccc4NC(C)=O)C[C@H]23)c1 ZINC000257308575 570141065 /nfs/dbraw/zinc/14/10/65/570141065.db2.gz TXGSNJXTVVNARU-TXTKFYIRSA-N 1 1 451.567 3.801 40 0 JHABMO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC2(C[C@@H](Cc3cccc(F)c3)N(CC(C)C)C2=O)CC1 ZINC000257339887 570150454 /nfs/dbraw/zinc/15/04/54/570150454.db2.gz ZDOXYDVYFKQGFD-JOCHJYFZSA-N 1 1 469.605 3.686 40 0 JHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000044949266 523019473 /nfs/dbraw/zinc/01/94/73/523019473.db2.gz FEHKQPBDJMIYQD-IBGZPJMESA-N 1 1 488.069 3.792 40 0 JHABMO Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000019823726 526228782 /nfs/dbraw/zinc/22/87/82/526228782.db2.gz INXNFHSNMJSRFI-UHFFFAOYSA-N 1 1 482.625 3.575 40 0 JHABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(OC)cc3[nH]c2=O)[NH+]2CCCCCC2)cc1 ZINC000008772719 554672577 /nfs/dbraw/zinc/67/25/77/554672577.db2.gz CZKDVKGWJHZGSE-XMMPIXPASA-N 1 1 474.565 3.958 40 0 JHABMO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013498694 555423881 /nfs/dbraw/zinc/42/38/81/555423881.db2.gz WPMVGTSJRZBNBM-HSZRJFAPSA-N 1 1 468.602 3.702 40 0 JHABMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)CC2)cc1 ZINC000013613430 555535307 /nfs/dbraw/zinc/53/53/07/555535307.db2.gz JLDAPZLROLWKON-UHFFFAOYSA-N 1 1 489.641 3.700 40 0 JHABMO COc1ccccc1NC(=O)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000020109188 555644986 /nfs/dbraw/zinc/64/49/86/555644986.db2.gz JJCDIUQTKKCTER-UHFFFAOYSA-N 1 1 478.593 3.910 40 0 JHABMO CC(=O)N1c2ccc(C)cc2[C@@H](N(C(=O)C[NH+]2CCC(C(N)=O)CC2)c2ccc(C)cc2)C[C@@H]1C ZINC000010383810 555702805 /nfs/dbraw/zinc/70/28/05/555702805.db2.gz UCBWXRMQTAWQGL-FNZWTVRRSA-N 1 1 476.621 3.720 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064669 556262288 /nfs/dbraw/zinc/26/22/88/556262288.db2.gz RUOGBKKPKMPBLT-QFIPXVFZSA-N 1 1 466.586 3.590 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013064669 556262292 /nfs/dbraw/zinc/26/22/92/556262292.db2.gz RUOGBKKPKMPBLT-QFIPXVFZSA-N 1 1 466.586 3.590 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)NCCC[NH+]3CCOCC3)C3CCCCC3)cc12 ZINC000019824068 556394794 /nfs/dbraw/zinc/39/47/94/556394794.db2.gz IPOUODPAMOQJME-UHFFFAOYSA-N 1 1 470.683 3.876 40 0 JHABMO O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000034721348 569652371 /nfs/dbraw/zinc/65/23/71/569652371.db2.gz ASURZQRPSMSXKP-OLKYXYMISA-N 1 1 453.473 3.980 40 0 JHABMO O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000034721348 569652372 /nfs/dbraw/zinc/65/23/72/569652372.db2.gz ASURZQRPSMSXKP-OLKYXYMISA-N 1 1 453.473 3.980 40 0 JHABMO CCOc1cc([C@@H]([NH3+])c2nnc(-c3ccc(I)cc3)[nH]2)ccc1OC ZINC000095534421 569725518 /nfs/dbraw/zinc/72/55/18/569725518.db2.gz XXIYOLXWIWYEPD-MRXNPFEDSA-N 1 1 450.280 3.532 40 0 JHABMO Cc1c(C)c(S(=O)(=O)NC(=[NH2+])NCCCCNC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)CC2 ZINC000095630894 569728384 /nfs/dbraw/zinc/72/83/84/569728384.db2.gz QVOUYWYKTBLHLW-UHFFFAOYSA-N 1 1 496.674 3.823 40 0 JHABMO CCOc1cc(C[NH2+]Cc2ccccc2)c(Br)c(Br)c1OCC(N)=O ZINC000036612895 569778019 /nfs/dbraw/zinc/77/80/19/569778019.db2.gz SOFAAYTVMFUIEJ-UHFFFAOYSA-N 1 1 472.177 3.764 40 0 JHABMO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000101342877 569793660 /nfs/dbraw/zinc/79/36/60/569793660.db2.gz MIZHYXVCKPFOEU-UVLLPENVSA-N 1 1 460.292 3.564 40 0 JHABMO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000101342877 569793662 /nfs/dbraw/zinc/79/36/62/569793662.db2.gz MIZHYXVCKPFOEU-UVLLPENVSA-N 1 1 460.292 3.564 40 0 JHABMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000101343308 569793731 /nfs/dbraw/zinc/79/37/31/569793731.db2.gz NVXIQRPWPCLIEH-HJJDGDTKSA-N 1 1 457.917 3.924 40 0 JHABMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000101343308 569793733 /nfs/dbraw/zinc/79/37/33/569793733.db2.gz NVXIQRPWPCLIEH-HJJDGDTKSA-N 1 1 457.917 3.924 40 0 JHABMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103507581 569835464 /nfs/dbraw/zinc/83/54/64/569835464.db2.gz AYRAODBRFZDFIE-QUIZSENMSA-N 1 1 451.526 3.685 40 0 JHABMO CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222664142 569887962 /nfs/dbraw/zinc/88/79/62/569887962.db2.gz ZUUNKEIXLTXMLW-MRXNPFEDSA-N 1 1 491.013 3.572 40 0 JHABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000223894968 569926541 /nfs/dbraw/zinc/92/65/41/569926541.db2.gz MVKOJTYRDAXNNI-OAHLLOKOSA-N 1 1 452.979 3.972 40 0 JHABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(C(N)=O)c1 ZINC000257207111 570110041 /nfs/dbraw/zinc/11/00/41/570110041.db2.gz BGJQPZVXZHILDY-QFIPXVFZSA-N 1 1 489.624 3.772 40 0 JHABMO COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000257208478 570110505 /nfs/dbraw/zinc/11/05/05/570110505.db2.gz BMIKHKVZDGHUFO-LUKWVAJMSA-N 1 1 460.546 3.740 40 0 JHABMO COCC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(Cc3ccc(-c4cc(F)ccc4OC)cc3)CCCO2)C1 ZINC000257209727 570110964 /nfs/dbraw/zinc/11/09/64/570110964.db2.gz BRRCXZCYDYWTIS-IDISGSTGSA-N 1 1 470.585 3.678 40 0 JHABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2cccc(C)c2)cc1 ZINC000409064218 570115685 /nfs/dbraw/zinc/11/56/85/570115685.db2.gz OKQLPFSASRPKHW-UHFFFAOYSA-N 1 1 491.657 3.839 40 0 JHABMO C[NH+]1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000257283455 570133691 /nfs/dbraw/zinc/13/36/91/570133691.db2.gz OYKIJWMPWYOQPE-UHFFFAOYSA-N 1 1 488.003 3.945 40 0 JHABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccc(CNC(=O)c3ccccc3)cc2)cc1 ZINC000257284478 570133919 /nfs/dbraw/zinc/13/39/19/570133919.db2.gz PCWAACRRHHODGE-SXOMAYOGSA-N 1 1 471.601 3.629 40 0 JHABMO Cc1cc(C)cc(C2(C(=O)N3CC[C@@](O)(C[N@@H+](C)Cc4ccc(F)cc4)C3)CCOCC2)c1 ZINC000257284819 570134095 /nfs/dbraw/zinc/13/40/95/570134095.db2.gz PELNLLDHKCJMAK-AREMUKBSSA-N 1 1 454.586 3.586 40 0 JHABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)n2)n[nH]1 ZINC000257295165 570137022 /nfs/dbraw/zinc/13/70/22/570137022.db2.gz QXGCAINSCVZANS-LJQANCHMSA-N 1 1 484.649 3.583 40 0 JHABMO CN(C)CC(=O)Nc1cc(-c2c[nH]nc2[C@H]2CCCC[N@H+]2CCOCc2ccccc2)ccn1 ZINC000257332602 570148291 /nfs/dbraw/zinc/14/82/91/570148291.db2.gz XXZJUWLRBKUQNL-HSZRJFAPSA-N 1 1 462.598 3.716 40 0 JHABMO Cc1ccc2c(c1)N(CC(=O)N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)C(=O)CO2 ZINC000001362095 194102353 /nfs/dbraw/zinc/10/23/53/194102353.db2.gz ZIAMMZPLEUCCJO-UHFFFAOYSA-N 1 1 455.558 3.654 40 0 JHABMO Cc1ccccc1[C@@H]1CN(CC(=O)N(C)C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1c1csnn1 ZINC000057774158 195359821 /nfs/dbraw/zinc/35/98/21/195359821.db2.gz ODUTYYZIAAVEMR-ACIOBRDBSA-N 1 1 455.672 3.608 40 0 JHABMO Cc1ccccc1[C@@H]1CN(CC(=O)N(C)C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1c1csnn1 ZINC000057774158 195359825 /nfs/dbraw/zinc/35/98/25/195359825.db2.gz ODUTYYZIAAVEMR-ACIOBRDBSA-N 1 1 455.672 3.608 40 0 JHABMO CCNS(=O)(=O)c1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OC ZINC000016681771 520048570 /nfs/dbraw/zinc/04/85/70/520048570.db2.gz LFJPJSYGPKVIFA-UHFFFAOYSA-N 1 1 493.629 3.541 40 0 JHABMO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)CC1 ZINC000020493430 521022353 /nfs/dbraw/zinc/02/23/53/521022353.db2.gz TXVILWIJWRBPNK-UHFFFAOYSA-N 1 1 465.579 3.762 40 0 JHABMO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428665 524361390 /nfs/dbraw/zinc/36/13/90/524361390.db2.gz NEOHJLNTGNKMDT-UHFFFAOYSA-N 1 1 490.585 3.701 40 0 JHABMO COc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(=O)(=O)c1ccccc1 ZINC000022429670 524529842 /nfs/dbraw/zinc/52/98/42/524529842.db2.gz PBFYTTPKMYCURX-UHFFFAOYSA-N 1 1 490.585 3.701 40 0 JHABMO Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2)n1 ZINC000022517399 525699577 /nfs/dbraw/zinc/69/95/77/525699577.db2.gz HOEMHFYDIZXMCB-UHFFFAOYSA-N 1 1 465.579 3.824 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000044885359 527370628 /nfs/dbraw/zinc/37/06/28/527370628.db2.gz QVQWMFKXXUHVIR-UHFFFAOYSA-N 1 1 487.025 3.692 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NCc3ccccc3)cc12 ZINC000000878542 553814460 /nfs/dbraw/zinc/81/44/60/553814460.db2.gz WYIUQZCXAKMHAW-UHFFFAOYSA-N 1 1 478.662 3.744 40 0 JHABMO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)cc2c1 ZINC000000927842 553864845 /nfs/dbraw/zinc/86/48/45/553864845.db2.gz WEQRQBDOGRUAOY-UHFFFAOYSA-N 1 1 458.566 3.906 40 0 JHABMO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCCC3)cc2c1 ZINC000000927842 553864847 /nfs/dbraw/zinc/86/48/47/553864847.db2.gz WEQRQBDOGRUAOY-UHFFFAOYSA-N 1 1 458.566 3.906 40 0 JHABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)[NH+]2CCCCCC2)cc1 ZINC000006409327 554534693 /nfs/dbraw/zinc/53/46/93/554534693.db2.gz IGDCDKHXJHTOMY-XMMPIXPASA-N 1 1 458.566 3.845 40 0 JHABMO CCOc1ccc2nc(NC(=O)C[NH+]3CCC(n4nnc5cc(F)ccc54)CC3)sc2c1 ZINC000006550709 554550773 /nfs/dbraw/zinc/55/07/73/554550773.db2.gz OXXBGGHGCQQSOG-UHFFFAOYSA-N 1 1 454.531 3.854 40 0 JHABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccn(COc3ccc(Cl)cc3Br)n1)C2 ZINC000013959958 555663032 /nfs/dbraw/zinc/66/30/32/555663032.db2.gz AQXOXHLBJJWZPC-GOOCMWNKSA-N 1 1 453.768 3.691 40 0 JHABMO Fc1ccc(Cn2nnnc2[C@H](c2ccc(F)cc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929282 555981308 /nfs/dbraw/zinc/98/13/08/555981308.db2.gz KJCWCOIHYAIIQZ-VWLOTQADSA-N 1 1 460.532 3.907 40 0 JHABMO COc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022929944 555982868 /nfs/dbraw/zinc/98/28/68/555982868.db2.gz NCJMXQFMHWXVAF-NDEPHWFRSA-N 1 1 498.631 3.840 40 0 JHABMO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000019236418 556337042 /nfs/dbraw/zinc/33/70/42/556337042.db2.gz VUMYCKDXEUQECK-SANMLTNESA-N 1 1 483.620 3.845 40 0 JHABMO Cc1ccc2cc(CN(C(=S)NCCC[NH+]3CCOCC3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000019823404 556393768 /nfs/dbraw/zinc/39/37/68/556393768.db2.gz KVBQGSKBGMEHGN-UHFFFAOYSA-N 1 1 470.683 3.876 40 0 JHABMO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4cc5ccccc5o4)n3)ccn2)CC1 ZINC000035424734 560080429 /nfs/dbraw/zinc/08/04/29/560080429.db2.gz ATLWBPQAMVUBAB-NRFANRHFSA-N 1 1 472.549 3.917 40 0 biogenic,in-vitro JHABMO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4cc5ccccc5o4)n3)ccn2)CC1 ZINC000035424734 560080430 /nfs/dbraw/zinc/08/04/30/560080430.db2.gz ATLWBPQAMVUBAB-NRFANRHFSA-N 1 1 472.549 3.917 40 0 biogenic,in-vitro JHABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000033936992 569638240 /nfs/dbraw/zinc/63/82/40/569638240.db2.gz NEUXMWIDNOCFFC-ISKFKSNPSA-N 1 1 480.613 3.988 40 0 JHABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000033937393 569639149 /nfs/dbraw/zinc/63/91/49/569639149.db2.gz SMNHLSIXSGXQSP-IRLDBZIGSA-N 1 1 494.596 3.708 40 0 JHABMO COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000095232847 569722223 /nfs/dbraw/zinc/72/22/23/569722223.db2.gz MANWDRWHONVULU-AREMUKBSSA-N 1 1 454.578 3.637 40 0 JHABMO COc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(C4CCN(C(=O)c5ccc(F)cc5)CC4)CC3)C2=O)c1 ZINC000100226930 569755858 /nfs/dbraw/zinc/75/58/58/569755858.db2.gz KECMTOZOVWUYMJ-RUZDIDTESA-N 1 1 493.579 3.731 40 0 JHABMO CN(c1cccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1)S(C)(=O)=O ZINC000039756964 569811484 /nfs/dbraw/zinc/81/14/84/569811484.db2.gz LPIPPXXCJRRVCF-UHFFFAOYSA-N 1 1 453.967 3.726 40 0 JHABMO O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044792329 569839008 /nfs/dbraw/zinc/83/90/08/569839008.db2.gz RUXBLLWIUCPHBX-UHFFFAOYSA-N 1 1 484.021 3.880 40 0 JHABMO Cc1c(Cl)cccc1N(CCCC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000224383465 569942751 /nfs/dbraw/zinc/94/27/51/569942751.db2.gz QHLRYIUMSKRTHI-UHFFFAOYSA-N 1 1 464.031 3.539 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000225548597 570004780 /nfs/dbraw/zinc/00/47/80/570004780.db2.gz AETQQHUHNJNXOP-LJQANCHMSA-N 1 1 472.998 3.551 40 0 JHABMO COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000408700256 570020998 /nfs/dbraw/zinc/02/09/98/570020998.db2.gz BWVCAMHSIZNMNO-UHFFFAOYSA-N 1 1 499.677 3.564 40 0 JHABMO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1OC ZINC000225794520 570021935 /nfs/dbraw/zinc/02/19/35/570021935.db2.gz 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BSMYHOIHBSWAKQ-LUKWVAJMSA-N 1 1 459.562 3.559 40 0 JHABMO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)c1 ZINC000257220019 570114144 /nfs/dbraw/zinc/11/41/44/570114144.db2.gz DJFCVJDSLFBXMI-HSZRJFAPSA-N 1 1 459.598 3.946 40 0 JHABMO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)c1 ZINC000257220019 570114145 /nfs/dbraw/zinc/11/41/45/570114145.db2.gz DJFCVJDSLFBXMI-HSZRJFAPSA-N 1 1 459.598 3.946 40 0 JHABMO CCc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 ZINC000257243244 570121004 /nfs/dbraw/zinc/12/10/04/570121004.db2.gz IGASQBWNLQOCAQ-ZCYQVOJMSA-N 1 1 474.605 3.790 40 0 JHABMO C[N@H+]1CC[C@@H](n2cc(C(=O)N3CCC(c4nccnc4Oc4ccc(F)cc4)CC3)cn2)C1 ZINC000257258949 570125969 /nfs/dbraw/zinc/12/59/69/570125969.db2.gz KWEWVRGNUPHICA-HXUWFJFHSA-N 1 1 450.518 3.501 40 0 JHABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)n1 ZINC000257262602 570127155 /nfs/dbraw/zinc/12/71/55/570127155.db2.gz LMAVIVDMASXJPO-OAQYLSRUSA-N 1 1 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/nfs/dbraw/zinc/49/09/95/554490995.db2.gz VBDJHHDELIKJQO-PKOBYXMFSA-N 1 1 475.511 3.844 40 0 biogenic,in-vitro JHABMO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013498835 555425144 /nfs/dbraw/zinc/42/51/44/555425144.db2.gz UYZNWKVALBOLLM-DEOSSOPVSA-N 1 1 498.628 3.710 40 0 JHABMO Cc1c(NS(C)(=O)=O)cccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013682944 555576596 /nfs/dbraw/zinc/57/65/96/555576596.db2.gz OPDVDGIZBCCWKJ-UHFFFAOYSA-N 1 1 463.603 3.914 40 0 JHABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c(OC)c3)cc2Cl)CC1 ZINC000010004058 555591155 /nfs/dbraw/zinc/59/11/55/555591155.db2.gz TYMSIHHXZWJKCN-UHFFFAOYSA-N 1 1 463.003 3.626 40 0 JHABMO O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015345037 555899696 /nfs/dbraw/zinc/89/96/96/555899696.db2.gz ZCAPHPPNUZDUKX-UHFFFAOYSA-N 1 1 477.630 3.585 40 0 JHABMO COc1ccc([C@H](c2nnnn2Cc2cccs2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929789 555982277 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/nfs/dbraw/zinc/94/05/74/562940574.db2.gz MQNVJFPUBRZDJQ-DEOSSOPVSA-N 1 1 480.613 3.836 40 0 JHABMO O=C(NCc1ccc(F)cc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008299329 565094480 /nfs/dbraw/zinc/09/44/80/565094480.db2.gz DZQMFZHHOQETFT-CKUXNOBLSA-N 1 1 465.598 3.736 40 0 biogenic,in-vitro JHABMO O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000035225289 569678492 /nfs/dbraw/zinc/67/84/92/569678492.db2.gz MIZHYXVCKPFOEU-XNGFIGEISA-N 1 1 460.292 3.564 40 0 JHABMO O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000035225289 569678493 /nfs/dbraw/zinc/67/84/93/569678493.db2.gz MIZHYXVCKPFOEU-XNGFIGEISA-N 1 1 460.292 3.564 40 0 JHABMO COc1cccc(-c2nc(-c3noc4ccc(C(=O)NCCC[NH+]5CCOCC5)cc43)co2)c1 ZINC000096037842 569732372 /nfs/dbraw/zinc/73/23/72/569732372.db2.gz JOMUKLNTUJYVIK-UHFFFAOYSA-N 1 1 462.506 3.611 40 0 JHABMO COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)C(C)(C)C)c1 ZINC000104135826 569841772 /nfs/dbraw/zinc/84/17/72/569841772.db2.gz QVXXJVBSOVGTHV-GPJHCHHRSA-N 1 1 460.530 3.834 40 0 JHABMO COc1ccc(OC)c(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)c1 ZINC000104135826 569841774 /nfs/dbraw/zinc/84/17/74/569841774.db2.gz QVXXJVBSOVGTHV-GPJHCHHRSA-N 1 1 460.530 3.834 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000216376242 569878517 /nfs/dbraw/zinc/87/85/17/569878517.db2.gz QKUYHLCSJWHBAN-UHFFFAOYSA-N 1 1 487.025 3.692 40 0 JHABMO COc1ccc(N(CCCC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(C)(=O)=O)cc1Cl ZINC000216435409 569878833 /nfs/dbraw/zinc/87/88/33/569878833.db2.gz LHAUSFIMVJGGBO-UHFFFAOYSA-N 1 1 491.013 3.705 40 0 JHABMO CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222724081 569889549 /nfs/dbraw/zinc/88/95/49/569889549.db2.gz DPFPUGIVATYYKZ-UHFFFAOYSA-N 1 1 491.013 3.574 40 0 JHABMO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](CC1CC1)CC2=O ZINC000253408913 570097411 /nfs/dbraw/zinc/09/74/11/570097411.db2.gz YYICJKBSQKQOHM-IKUOTUDNSA-N 1 1 453.627 3.570 40 0 JHABMO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](CC1CC1)CC2=O ZINC000253408913 570097412 /nfs/dbraw/zinc/09/74/12/570097412.db2.gz YYICJKBSQKQOHM-IKUOTUDNSA-N 1 1 453.627 3.570 40 0 JHABMO Cc1[nH]c2ccc(C(=O)N3CC[C@H](Oc4ccccc4)[C@@H](CC(=O)N4CC[NH+](C)CC4)C3)cc2c1C ZINC000257200466 570107805 /nfs/dbraw/zinc/10/78/05/570107805.db2.gz ADLXFCQOTIFLMH-HOFKKMOUSA-N 1 1 488.632 3.859 40 0 JHABMO Cc1ncsc1C(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257200864 570108064 /nfs/dbraw/zinc/10/80/64/570108064.db2.gz AFEFOSRVFMTNSX-DEOSSOPVSA-N 1 1 491.057 3.570 40 0 JHABMO C[C@]12CC[N@@H+](CC(=O)NCCc3nc4ccccc4[nH]3)[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000257210721 570111265 /nfs/dbraw/zinc/11/12/65/570111265.db2.gz BVVWCQNBIAVBAK-CUBQBAPOSA-N 1 1 473.621 3.657 40 0 JHABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2CC2(O)CCN(c3cccc(OC)c3)CC2)cc1 ZINC000257221575 570114512 /nfs/dbraw/zinc/11/45/12/570114512.db2.gz DPQQEPSHJFPYPJ-NSVAZKTRSA-N 1 1 493.648 3.910 40 0 JHABMO OCCOc1ccc(C[N@@H+](CCO)C[C@@H](O)CN2c3ccccc3Sc3ccccc32)cc1 ZINC000257221823 570114641 /nfs/dbraw/zinc/11/46/41/570114641.db2.gz DQRAUZUHWOVDDA-OAQYLSRUSA-N 1 1 466.603 3.516 40 0 JHABMO CC(C)c1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)on1 ZINC000257226638 570116170 /nfs/dbraw/zinc/11/61/70/570116170.db2.gz FLMCSJOGPNMXQW-AVRDEDQJSA-N 1 1 489.016 3.525 40 0 JHABMO COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCC[NH+]3CCOCC3)CCOCC2)cc1 ZINC000257231711 570117550 /nfs/dbraw/zinc/11/75/50/570117550.db2.gz GHXIHVDVQXYXQW-UHFFFAOYSA-N 1 1 470.585 3.679 40 0 JHABMO COc1ccc(NC(C)=O)cc1CNC(=O)CN1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCC[N@H+]2C ZINC000257267167 570128700 /nfs/dbraw/zinc/12/87/00/570128700.db2.gz MGFAWDHIPJZHMX-VBOOUTDYSA-N 1 1 478.637 3.612 40 0 JHABMO Cc1cc(OC[C@]2(O)CCC[N@@H+](Cc3ccc(OCCN4CCNC4=O)cc3)C2)cc(C)c1Cl ZINC000257271345 570129982 /nfs/dbraw/zinc/12/99/82/570129982.db2.gz MXXXGUGCKIKDSN-SANMLTNESA-N 1 1 488.028 3.767 40 0 JHABMO O=C(CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1)Nc1ccc(Oc2cccnc2)cc1 ZINC000257291992 570136060 /nfs/dbraw/zinc/13/60/60/570136060.db2.gz QJMWPFVYEBOTJG-XCZPVHLTSA-N 1 1 472.589 3.914 40 0 JHABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)n2)n[nH]1 ZINC000257295164 570137042 /nfs/dbraw/zinc/13/70/42/570137042.db2.gz QXGCAINSCVZANS-IBGZPJMESA-N 1 1 484.649 3.583 40 0 JHABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCCN3CCNC3=O)cc2)CC1 ZINC000257300970 570138737 /nfs/dbraw/zinc/13/87/37/570138737.db2.gz RWKKGECDOYOICF-AREMUKBSSA-N 1 1 471.573 3.680 40 0 JHABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCCN3CCNC3=O)cc2)CC1 ZINC000257300971 570138780 /nfs/dbraw/zinc/13/87/80/570138780.db2.gz RWKKGECDOYOICF-SANMLTNESA-N 1 1 471.573 3.680 40 0 JHABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257302688 570139177 /nfs/dbraw/zinc/13/91/77/570139177.db2.gz SDWOUSDPCKFOAN-RUZDIDTESA-N 1 1 475.033 3.600 40 0 JHABMO C[NH+]1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)CCc3ccc(F)cc3)CC2)CC1 ZINC000257336565 570149413 /nfs/dbraw/zinc/14/94/13/570149413.db2.gz YOZXFXUUWZFNPC-UHFFFAOYSA-N 1 1 481.612 3.610 40 0 JHABMO O=C(NC[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccncc3)C2)O1)c1ccc(Cl)c(Cl)c1 ZINC000306133732 570178353 /nfs/dbraw/zinc/17/83/53/570178353.db2.gz MTXOYLVODSOQSD-AVRDEDQJSA-N 1 1 450.366 3.568 40 0 JHABMO O=C(NC[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccncc3)C2)O1)c1ccc(Cl)c(Cl)c1 ZINC000306133732 570178354 /nfs/dbraw/zinc/17/83/54/570178354.db2.gz MTXOYLVODSOQSD-AVRDEDQJSA-N 1 1 450.366 3.568 40 0 JHABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1 ZINC000001336021 194095257 /nfs/dbraw/zinc/09/52/57/194095257.db2.gz YUYKXIJAZVFSIW-OAQYLSRUSA-N 1 1 462.550 3.818 40 0 JHABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccc(F)cc1 ZINC000001342330 194098708 /nfs/dbraw/zinc/09/87/08/194098708.db2.gz ADDOGVFTGJTFFA-FQEVSTJZSA-N 1 1 466.513 3.914 40 0 JHABMO C[N@H+](Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)Nc3ccccc3)O2)no1)Cc1ccccc1 ZINC000096296028 130051719 /nfs/dbraw/zinc/05/17/19/130051719.db2.gz RXYRNAXBWTYDEN-ZKMPZPQNSA-N 1 1 464.566 3.579 40 0 biogenic,in-vitro JHABMO C[N@@H+](Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)Nc3ccccc3)O2)no1)Cc1ccccc1 ZINC000096296028 130051721 /nfs/dbraw/zinc/05/17/21/130051721.db2.gz RXYRNAXBWTYDEN-ZKMPZPQNSA-N 1 1 464.566 3.579 40 0 biogenic,in-vitro JHABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(OC)cc(OC)c3)cc2Cl)CC1 ZINC000016681553 521699406 /nfs/dbraw/zinc/69/94/06/521699406.db2.gz MRWPRQJBLMXJRK-UHFFFAOYSA-N 1 1 463.003 3.626 40 0 JHABMO O=C([O-])C[C@@H]1CC[N@@H+](Cc2c[nH]c3ccccc23)C[C@@H]1CC[NH+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012480987 527630038 /nfs/dbraw/zinc/63/00/38/527630038.db2.gz MRPBDGGQACZOPR-CWBXHPNXSA-N 1 1 488.632 3.752 40 0 biogenic,in-vitro JHABMO O=C([O-])C[C@@H]1CC[NH+](Cc2c[nH]c3ccccc23)C[C@@H]1CC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012480987 527630045 /nfs/dbraw/zinc/63/00/45/527630045.db2.gz MRPBDGGQACZOPR-CWBXHPNXSA-N 1 1 488.632 3.752 40 0 biogenic,in-vitro JHABMO O=C([O-])C[C@@H]1CC[NH+](Cc2c[nH]c3ccccc23)C[C@@H]1CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012480987 527630050 /nfs/dbraw/zinc/63/00/50/527630050.db2.gz MRPBDGGQACZOPR-CWBXHPNXSA-N 1 1 488.632 3.752 40 0 biogenic,in-vitro JHABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498943 555426271 /nfs/dbraw/zinc/42/62/71/555426271.db2.gz RVGFLUALERGKLS-QFIPXVFZSA-N 1 1 454.619 3.858 40 0 JHABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498943 555426273 /nfs/dbraw/zinc/42/62/73/555426273.db2.gz RVGFLUALERGKLS-QFIPXVFZSA-N 1 1 454.619 3.858 40 0 JHABMO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940625 555559097 /nfs/dbraw/zinc/55/90/97/555559097.db2.gz AIZICULOQGNBHP-SANMLTNESA-N 1 1 499.619 3.546 40 0 JHABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064089 556261605 /nfs/dbraw/zinc/26/16/05/556261605.db2.gz ZVOYFYAXOHBKMT-JTHBVZDNSA-N 1 1 466.586 3.598 40 0 JHABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064089 556261606 /nfs/dbraw/zinc/26/16/06/556261606.db2.gz ZVOYFYAXOHBKMT-JTHBVZDNSA-N 1 1 466.586 3.598 40 0 JHABMO Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000019822808 556392755 /nfs/dbraw/zinc/39/27/55/556392755.db2.gz AIRHHWCDXMJNDM-UHFFFAOYSA-N 1 1 478.662 3.744 40 0 JHABMO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000008586288 562940935 /nfs/dbraw/zinc/94/09/35/562940935.db2.gz GAESXKISQQCEHB-JOCHJYFZSA-N 1 1 466.586 3.672 40 0 JHABMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cc(Cl)cc2C)c1 ZINC000064165761 569616416 /nfs/dbraw/zinc/61/64/16/569616416.db2.gz SMOKTNLPARAYGW-RGNVDHMSSA-N 1 1 455.942 3.936 40 0 JHABMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cc(Cl)cc2C)c1 ZINC000064165761 569616417 /nfs/dbraw/zinc/61/64/17/569616417.db2.gz SMOKTNLPARAYGW-RGNVDHMSSA-N 1 1 455.942 3.936 40 0 JHABMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000034856479 569667375 /nfs/dbraw/zinc/66/73/75/569667375.db2.gz YLUQWJAHLLAJBJ-TZTMDHJLSA-N 1 1 451.526 3.888 40 0 JHABMO COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000095232855 569722185 /nfs/dbraw/zinc/72/21/85/569722185.db2.gz HZXFRMYQZWHBBQ-HHHXNRCGSA-N 1 1 484.604 3.646 40 0 JHABMO O=C(NCc1cccc(CN2CCOCC2)c1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038831399 569808599 /nfs/dbraw/zinc/80/85/99/569808599.db2.gz PRGRPVBQZMSGBJ-UHFFFAOYSA-N 1 1 486.454 3.810 40 0 JHABMO Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000103508650 569835430 /nfs/dbraw/zinc/83/54/30/569835430.db2.gz DRWOXYHLJRPGPQ-ZASNTINBSA-N 1 1 488.547 3.535 40 0 JHABMO Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21c2ccccc2-n2c1nc1ccccc1c2=O ZINC000103508650 569835431 /nfs/dbraw/zinc/83/54/31/569835431.db2.gz DRWOXYHLJRPGPQ-ZASNTINBSA-N 1 1 488.547 3.535 40 0 JHABMO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000103513441 569835436 /nfs/dbraw/zinc/83/54/36/569835436.db2.gz KRFDNMSIZGUOFU-FNAHDJPLSA-N 1 1 458.514 3.604 40 0 JHABMO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000103513441 569835438 /nfs/dbraw/zinc/83/54/38/569835438.db2.gz KRFDNMSIZGUOFU-FNAHDJPLSA-N 1 1 458.514 3.604 40 0 JHABMO COc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000103529492 569835834 /nfs/dbraw/zinc/83/58/34/569835834.db2.gz LKZBLJXQHFYYFM-JBXUNAHCSA-N 1 1 465.509 3.849 40 0 JHABMO COc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000103529492 569835835 /nfs/dbraw/zinc/83/58/35/569835835.db2.gz LKZBLJXQHFYYFM-JBXUNAHCSA-N 1 1 465.509 3.849 40 0 JHABMO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000044791908 569838896 /nfs/dbraw/zinc/83/88/96/569838896.db2.gz GPFAVMBCQAWLKT-UHFFFAOYSA-N 1 1 477.630 3.843 40 0 JHABMO C[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)C1 ZINC000225751356 570020029 /nfs/dbraw/zinc/02/00/29/570020029.db2.gz BUUXQZRFLZPBHR-SFHVURJKSA-N 1 1 459.637 3.512 40 0 JHABMO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C1CCCC1)CC2=O)NC1CC1 ZINC000253399968 570096393 /nfs/dbraw/zinc/09/63/93/570096393.db2.gz KGHNMIVRFQOJPL-HJIDZEHQSA-N 1 1 451.611 3.513 40 0 JHABMO O=C(c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000409023353 570103738 /nfs/dbraw/zinc/10/37/38/570103738.db2.gz ROZYARXCCXNZTH-UHFFFAOYSA-N 1 1 469.585 3.932 40 0 JHABMO CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)[N@H+]2CC(=O)NCCc1nc2ccccc2[nH]1 ZINC000257200239 570107849 /nfs/dbraw/zinc/10/78/49/570107849.db2.gz ACOCRESIDMKYHY-MVNQZMKCSA-N 1 1 487.648 3.698 40 0 JHABMO Cc1ncsc1C(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257200865 570107979 /nfs/dbraw/zinc/10/79/79/570107979.db2.gz AFEFOSRVFMTNSX-XMMPIXPASA-N 1 1 491.057 3.570 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CCCN(C(=O)CCC3CCCC3)C2)CC1 ZINC000257222153 570114650 /nfs/dbraw/zinc/11/46/50/570114650.db2.gz DSDWIAWYERKILG-HHHXNRCGSA-N 1 1 473.633 3.948 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)C3CCC(F)(F)CC3)CC[C@@H]2Oc2ccc(Cl)cc2)CC1 ZINC000257250442 570123354 /nfs/dbraw/zinc/12/33/54/570123354.db2.gz JMOAAMFSMGCBLD-UGKGYDQZSA-N 1 1 498.014 3.926 40 0 JHABMO COc1ccc(NC(C)=O)c(NC(=O)CN2CC[N@H+](C)[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000257255561 570124786 /nfs/dbraw/zinc/12/47/86/570124786.db2.gz KHYQRKXTWDPGGC-OAQYLSRUSA-N 1 1 464.488 3.600 40 0 JHABMO COc1ccc(NC(C)=O)c(NC(=O)CN2CC[N@@H+](C)[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000257255561 570124787 /nfs/dbraw/zinc/12/47/87/570124787.db2.gz KHYQRKXTWDPGGC-OAQYLSRUSA-N 1 1 464.488 3.600 40 0 JHABMO Cc1cccnc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257262862 570127236 /nfs/dbraw/zinc/12/72/36/570127236.db2.gz LNHDSEBFVWCYSU-UHFFFAOYSA-N 1 1 485.028 3.509 40 0 JHABMO CCn1c(=O)oc2cc(NC(=O)C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4[C@H]3c3ccc(OC)cc3)ccc21 ZINC000257263499 570127532 /nfs/dbraw/zinc/12/75/32/570127532.db2.gz LQEHBTMPGGIYPU-FZBZCGEPSA-N 1 1 479.577 3.930 40 0 JHABMO CCn1c(=O)oc2cc(NC(=O)C[N@H+]3CC[C@]4(O)CCCC[C@@H]4[C@H]3c3ccc(OC)cc3)ccc21 ZINC000257263499 570127534 /nfs/dbraw/zinc/12/75/34/570127534.db2.gz LQEHBTMPGGIYPU-FZBZCGEPSA-N 1 1 479.577 3.930 40 0 JHABMO C[N@H+](Cc1ccc(OCCN2CCCC2=O)cc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257265229 570128094 /nfs/dbraw/zinc/12/80/94/570128094.db2.gz LXUZCNORRMVTCS-LJQANCHMSA-N 1 1 490.526 3.549 40 0 JHABMO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@@H+](CCCc2ccccc2)CCO1)N1CCOCC1 ZINC000257271726 570130214 /nfs/dbraw/zinc/13/02/14/570130214.db2.gz MZNOGNAJBPZCPP-SANMLTNESA-N 1 1 473.013 3.672 40 0 JHABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCN(C(=O)CC(C)C)C[C@H](Cc2ccccn2)C1 ZINC000257275233 570131197 /nfs/dbraw/zinc/13/11/97/570131197.db2.gz NOLYMCOQQBWNHA-QHCPKHFHSA-N 1 1 473.621 3.824 40 0 JHABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@H]3CCCN(C(=O)C4CCCCC4)CC3)n2)n[nH]1 ZINC000257282950 570133531 /nfs/dbraw/zinc/13/35/31/570133531.db2.gz OWAPRCUETAWCEC-NRFANRHFSA-N 1 1 494.688 3.755 40 0 JHABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccc(CNC(=O)c3ccccc3)cc2)cc1 ZINC000257284475 570133969 /nfs/dbraw/zinc/13/39/69/570133969.db2.gz PCWAACRRHHODGE-KAYWLYCHSA-N 1 1 471.601 3.629 40 0 JHABMO O=C(CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000257306865 570140383 /nfs/dbraw/zinc/14/03/83/570140383.db2.gz SWIHBHGMXAAWPY-IGKIAQTJSA-N 1 1 494.636 3.913 40 0 JHABMO CC(C)CN1C(=O)C2(C[C@H]1Cc1ccccc1)CC[NH+](CC(=O)N1CC(=O)Nc3ccccc31)CC2 ZINC000257321992 570145119 /nfs/dbraw/zinc/14/51/19/570145119.db2.gz WEFKDQNCEVODCS-HSZRJFAPSA-N 1 1 488.632 3.554 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000257333588 570148555 /nfs/dbraw/zinc/14/85/55/570148555.db2.gz YCEWUVKVECGBKV-DEOSSOPVSA-N 1 1 450.023 3.538 40 0 JHABMO Cc1ccsc1C[N@@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257342000 570150953 /nfs/dbraw/zinc/15/09/53/570150953.db2.gz ZMRJDFPFMYRORW-HSZRJFAPSA-N 1 1 465.015 3.609 40 0 JHABMO Cc1ccsc1C[N@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257342000 570150955 /nfs/dbraw/zinc/15/09/55/570150955.db2.gz ZMRJDFPFMYRORW-HSZRJFAPSA-N 1 1 465.015 3.609 40 0 JHABMO CC[NH+]1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000409267005 570188585 /nfs/dbraw/zinc/18/85/85/570188585.db2.gz ZXWLIAKPMZPDFM-UHFFFAOYSA-N 1 1 489.947 3.718 40 0 JHABMO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020492894 523783555 /nfs/dbraw/zinc/78/35/55/523783555.db2.gz NNDAZCHZCRZOMT-OAQYLSRUSA-N 1 1 460.987 3.695 40 0 JHABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3CN3CCOCC3)c4=O)C2)cc1 ZINC000020503633 524042913 /nfs/dbraw/zinc/04/29/13/524042913.db2.gz SOKRUUNPZIBSHM-UKILVPOCSA-N 1 1 485.628 3.975 40 0 biogenic,in-vitro JHABMO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(OC)cc3[nH]c2=O)[N@H+](C)C2CCCCC2)cc1 ZINC000006198618 524268559 /nfs/dbraw/zinc/26/85/59/524268559.db2.gz XIHPJKWWYFWTNO-VWLOTQADSA-N 1 1 488.592 3.934 40 0 JHABMO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(OC)cc3[nH]c2=O)[N@@H+](C)C2CCCCC2)cc1 ZINC000006198618 524268572 /nfs/dbraw/zinc/26/85/72/524268572.db2.gz XIHPJKWWYFWTNO-VWLOTQADSA-N 1 1 488.592 3.934 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000020458511 527383450 /nfs/dbraw/zinc/38/34/50/527383450.db2.gz TWLZSXZJTQKWGX-UHFFFAOYSA-N 1 1 467.378 3.570 40 0 JHABMO Cc1cc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NCc3ccccc3)cc2c1 ZINC000000875552 553812723 /nfs/dbraw/zinc/81/27/23/553812723.db2.gz BAWVPYCJGLJAAX-UHFFFAOYSA-N 1 1 478.662 3.744 40 0 JHABMO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NCc3ccccc3)cc2c1 ZINC000000924134 553859153 /nfs/dbraw/zinc/85/91/53/553859153.db2.gz NBYXNLHBXXNHDO-UHFFFAOYSA-N 1 1 478.662 3.690 40 0 JHABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1C ZINC000000931918 553870451 /nfs/dbraw/zinc/87/04/51/553870451.db2.gz IVNYUQAHJGNJPP-UHFFFAOYSA-N 1 1 470.683 3.876 40 0 JHABMO COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282854 554526040 /nfs/dbraw/zinc/52/60/40/554526040.db2.gz FVBYQCKUVXLNDE-QPPBQGQZSA-N 1 1 492.624 3.838 40 0 JHABMO COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282854 554526045 /nfs/dbraw/zinc/52/60/45/554526045.db2.gz FVBYQCKUVXLNDE-QPPBQGQZSA-N 1 1 492.624 3.838 40 0 JHABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Br)c3)cc2Cl)CC1 ZINC000008831717 554723343 /nfs/dbraw/zinc/72/33/43/554723343.db2.gz DQYIKVXHJVZKDY-UHFFFAOYSA-N 1 1 467.820 3.981 40 0 JHABMO CC[C@H](c1nnnn1C(C)(C)C)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494614 555405410 /nfs/dbraw/zinc/40/54/10/555405410.db2.gz VPVSRLHOUOCOMF-HSZRJFAPSA-N 1 1 495.672 3.562 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc12 ZINC000013499200 555429239 /nfs/dbraw/zinc/42/92/39/555429239.db2.gz CZVLWANUIYSWQW-RUZDIDTESA-N 1 1 492.599 3.901 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc12 ZINC000013499200 555429243 /nfs/dbraw/zinc/42/92/43/555429243.db2.gz CZVLWANUIYSWQW-RUZDIDTESA-N 1 1 492.599 3.901 40 0 JHABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013501212 555448556 /nfs/dbraw/zinc/44/85/56/555448556.db2.gz SMNHLSIXSGXQSP-RBBKRZOGSA-N 1 1 494.596 3.708 40 0 JHABMO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)C1 ZINC000019933135 555550673 /nfs/dbraw/zinc/55/06/73/555550673.db2.gz HRUWUFJIDCCPFK-GOSISDBHSA-N 1 1 465.579 3.762 40 0 JHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)C1 ZINC000019933135 555550674 /nfs/dbraw/zinc/55/06/74/555550674.db2.gz HRUWUFJIDCCPFK-GOSISDBHSA-N 1 1 465.579 3.762 40 0 JHABMO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)CCCN1C=Cc3cc(OC)c(OC)cc3CC1=O)C2 ZINC000022007298 555861271 /nfs/dbraw/zinc/86/12/71/555861271.db2.gz AQSRHFYHXNSUAO-OAQYLSRUSA-N 1 1 466.578 3.738 40 0 in-vitro JHABMO Cc1ccc(CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000015224585 555886134 /nfs/dbraw/zinc/88/61/34/555886134.db2.gz HQZNWKSUVZCCDG-UHFFFAOYSA-N 1 1 477.630 3.530 40 0 JHABMO COc1ccccc1NC(=O)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000019222116 556336125 /nfs/dbraw/zinc/33/61/25/556336125.db2.gz FLAXIUCNRVSZBS-UHFFFAOYSA-N 1 1 464.566 3.602 40 0 JHABMO Cc1cccc2cc(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c12 ZINC000019236483 556337300 /nfs/dbraw/zinc/33/73/00/556337300.db2.gz LVYBJIXLLJRAHP-UHFFFAOYSA-N 1 1 452.530 3.732 40 0 JHABMO Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019721875 556361876 /nfs/dbraw/zinc/36/18/76/556361876.db2.gz ROBGQYLZXYOUOO-JOCHJYFZSA-N 1 1 477.630 3.596 40 0 JHABMO COc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000019822633 556392525 /nfs/dbraw/zinc/39/25/25/556392525.db2.gz FAKFJGDRNBXVIX-UHFFFAOYSA-N 1 1 480.634 3.766 40 0 JHABMO COc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000019824681 556395784 /nfs/dbraw/zinc/39/57/84/556395784.db2.gz ZJVGWOPWKBUKII-UHFFFAOYSA-N 1 1 484.597 3.597 40 0 JHABMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2c3cc(Cl)cc2C)c1 ZINC000064165764 569616413 /nfs/dbraw/zinc/61/64/13/569616413.db2.gz SMOKTNLPARAYGW-HGDBAGAISA-N 1 1 455.942 3.936 40 0 JHABMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@@]23C(=O)Nc2c3cc(Cl)cc2C)c1 ZINC000064165764 569616414 /nfs/dbraw/zinc/61/64/14/569616414.db2.gz SMOKTNLPARAYGW-HGDBAGAISA-N 1 1 455.942 3.936 40 0 JHABMO COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000095232853 569722244 /nfs/dbraw/zinc/72/22/44/569722244.db2.gz UNVNKIINEQXCQQ-HHHXNRCGSA-N 1 1 484.604 3.646 40 0 JHABMO CC(C)n1cnc([C@@H]2CN(Cc3ccccc3)c3ccc(C(=O)N4CCC[N@@H+](C)CC4)cc32)n1 ZINC000096156373 569736749 /nfs/dbraw/zinc/73/67/49/569736749.db2.gz YDXRHQRLZZVTQE-XMMPIXPASA-N 1 1 458.610 3.789 40 0 JHABMO O=C(c1ccc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1)N1CCN(c2ccccc2)CC1 ZINC000096156178 569736785 /nfs/dbraw/zinc/73/67/85/569736785.db2.gz FTRBGDAPDOAMSZ-HSZRJFAPSA-N 1 1 466.589 3.681 40 0 JHABMO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1C(=O)N1CCCCCC1 ZINC000038755476 569807149 /nfs/dbraw/zinc/80/71/49/569807149.db2.gz AFCDHALVHREWTC-UHFFFAOYSA-N 1 1 482.606 3.684 40 0 JHABMO O=C(NCc1ccc(CN2CCOCC2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000038831453 569808604 /nfs/dbraw/zinc/80/86/04/569808604.db2.gz BQFQLVFVGHBESN-UHFFFAOYSA-N 1 1 459.993 3.840 40 0 JHABMO CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103507488 569835458 /nfs/dbraw/zinc/83/54/58/569835458.db2.gz LFDIDPHFTVIRKW-JSAFQYNZSA-N 1 1 470.356 3.839 40 0 JHABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000222541168 569885391 /nfs/dbraw/zinc/88/53/91/569885391.db2.gz KUGFSLJMQXSYQX-SFHVURJKSA-N 1 1 487.025 3.907 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O ZINC000222609601 569886952 /nfs/dbraw/zinc/88/69/52/569886952.db2.gz XXSQYPRASIOMCN-UHFFFAOYSA-N 1 1 454.596 3.660 40 0 JHABMO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000223287284 569906275 /nfs/dbraw/zinc/90/62/75/569906275.db2.gz VYXJBPKYUWCPDS-JLPGSUDCSA-N 1 1 456.502 3.870 40 0 JHABMO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1OC ZINC000223358079 569908543 /nfs/dbraw/zinc/90/85/43/569908543.db2.gz JTVZIYWTDWOKGN-MOHJPFBDSA-N 1 1 489.572 3.632 40 0 JHABMO CN(c1ccc(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000225977977 570030540 /nfs/dbraw/zinc/03/05/40/570030540.db2.gz ROOZLQUQKOYUJT-UHFFFAOYSA-N 1 1 477.630 3.559 40 0 JHABMO CN(CC(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1ccc(Cl)cc1 ZINC000226020658 570033220 /nfs/dbraw/zinc/03/32/20/570033220.db2.gz MQNONYXVKYNQME-UHFFFAOYSA-N 1 1 481.405 3.781 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(C(=O)Cc3cccs3)C2)CC1 ZINC000257203355 570108734 /nfs/dbraw/zinc/10/87/34/570108734.db2.gz APQATYVFOYGYFM-VWLOTQADSA-N 1 1 490.069 3.796 40 0 JHABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@]2(CN(c3ccccc3)C(=O)CO2)CC1 ZINC000257206543 570109900 /nfs/dbraw/zinc/10/99/00/570109900.db2.gz BDXOZFNPUBZOAF-HHHXNRCGSA-N 1 1 458.562 3.668 40 0 JHABMO Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3C[N@@H+](CC(=O)N4CC(=O)Nc5ccccc54)CC[C@H]3O[C@@H]21 ZINC000257208144 570110369 /nfs/dbraw/zinc/11/03/69/570110369.db2.gz BKXIOMCQZZBIAE-VMMBVYDISA-N 1 1 475.589 3.919 40 0 JHABMO Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3C[N@H+](CC(=O)N4CC(=O)Nc5ccccc54)CC[C@H]3O[C@@H]21 ZINC000257208144 570110370 /nfs/dbraw/zinc/11/03/70/570110370.db2.gz BKXIOMCQZZBIAE-VMMBVYDISA-N 1 1 475.589 3.919 40 0 JHABMO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC2(C[C@H](Cc3ccc(F)cc3)N(CC(C)C)C2=O)CC1 ZINC000257212102 570111804 /nfs/dbraw/zinc/11/18/04/570111804.db2.gz CBYWCLFVRBMNOM-QFIPXVFZSA-N 1 1 469.605 3.686 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(C(=O)CCC3CCCC3)C2)CC1 ZINC000257217714 570113452 /nfs/dbraw/zinc/11/34/52/570113452.db2.gz DAGWLDXHNRFMRY-MHZLTWQESA-N 1 1 455.643 3.809 40 0 JHABMO CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000257231984 570117662 /nfs/dbraw/zinc/11/76/62/570117662.db2.gz GIXNWGOWQIUDFF-JRFVFWCSSA-N 1 1 474.527 3.527 40 0 JHABMO COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3C[N@@H+](CC(=O)N4CC(=O)Nc5ccccc54)CC[C@H]3O[C@@H]21 ZINC000257234951 570118548 /nfs/dbraw/zinc/11/85/48/570118548.db2.gz GVTMBFJXEGBPOX-WOGCAUNOSA-N 1 1 491.588 3.620 40 0 JHABMO COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3C[N@H+](CC(=O)N4CC(=O)Nc5ccccc54)CC[C@H]3O[C@@H]21 ZINC000257234951 570118549 /nfs/dbraw/zinc/11/85/49/570118549.db2.gz GVTMBFJXEGBPOX-WOGCAUNOSA-N 1 1 491.588 3.620 40 0 JHABMO COc1ccccc1C[N@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)c(F)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000257238658 570119721 /nfs/dbraw/zinc/11/97/21/570119721.db2.gz HLYLAOZKCQCXTM-LGKPFJOYSA-N 1 1 478.536 3.879 40 0 JHABMO COc1ccccc1C[N@@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)c(F)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000257238658 570119723 /nfs/dbraw/zinc/11/97/23/570119723.db2.gz HLYLAOZKCQCXTM-LGKPFJOYSA-N 1 1 478.536 3.879 40 0 JHABMO COc1ccccc1C[N@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000257251785 570123567 /nfs/dbraw/zinc/12/35/67/570123567.db2.gz JSFJHVDTDLPHTM-LGKPFJOYSA-N 1 1 460.546 3.740 40 0 JHABMO COc1ccccc1C[N@@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000257251785 570123568 /nfs/dbraw/zinc/12/35/68/570123568.db2.gz JSFJHVDTDLPHTM-LGKPFJOYSA-N 1 1 460.546 3.740 40 0 JHABMO C[N@H+]1CC[C@H](n2cc(C(=O)N3CCC(c4nccnc4Oc4ccc(F)cc4)CC3)cn2)C1 ZINC000257258948 570126030 /nfs/dbraw/zinc/12/60/30/570126030.db2.gz KWEWVRGNUPHICA-FQEVSTJZSA-N 1 1 450.518 3.501 40 0 JHABMO CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)C[N@H+](Cc3cccc4[nH]ccc43)CCO2)CC1 ZINC000257261729 570126934 /nfs/dbraw/zinc/12/69/34/570126934.db2.gz LIOIDSIWYNWKRN-MHZLTWQESA-N 1 1 497.039 3.635 40 0 JHABMO CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)CC1 ZINC000257261729 570126935 /nfs/dbraw/zinc/12/69/35/570126935.db2.gz LIOIDSIWYNWKRN-MHZLTWQESA-N 1 1 497.039 3.635 40 0 JHABMO O=C(C1CC[NH+](CCc2ccccn2)CC1)N1CCC[C@H]1c1nnc(Cc2ccc(F)cc2)[nH]1 ZINC000257266797 570128485 /nfs/dbraw/zinc/12/84/85/570128485.db2.gz MEOCNETXYLOXAA-QHCPKHFHSA-N 1 1 462.573 3.548 40 0 JHABMO O=C(C1CC[NH+](CCc2ccccn2)CC1)N1CCC[C@H]1c1n[nH]c(Cc2ccc(F)cc2)n1 ZINC000257266797 570128486 /nfs/dbraw/zinc/12/84/86/570128486.db2.gz MEOCNETXYLOXAA-QHCPKHFHSA-N 1 1 462.573 3.548 40 0 JHABMO CC(=O)N1CC[N@@H+](Cc2ccnc(N3CCCCC3)n2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257280338 570132824 /nfs/dbraw/zinc/13/28/24/570132824.db2.gz OKLRBRFPGSXJIX-JOCHJYFZSA-N 1 1 458.610 3.538 40 0 JHABMO COCC[N@H+]1CC[C@@H](CNC(=O)C2(Cc3cccc(-c4cc(F)ccc4OC)c3)CCOCC2)C1 ZINC000257291322 570136014 /nfs/dbraw/zinc/13/60/14/570136014.db2.gz QGMARTCOIICXJX-QFIPXVFZSA-N 1 1 484.612 3.925 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000257293331 570136553 /nfs/dbraw/zinc/13/65/53/570136553.db2.gz QPAZHVDSZCYWOK-AREMUKBSSA-N 1 1 470.013 3.806 40 0 JHABMO Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCCN(Cc3nccs3)C2)ccc1Cl ZINC000257298798 570138089 /nfs/dbraw/zinc/13/80/89/570138089.db2.gz RNHXRKOULFAYKS-XMMPIXPASA-N 1 1 477.074 3.930 40 0 JHABMO CCCn1c(=O)oc2cc(NC(=O)C[N@@H+]3CCOC[C@@H](Cc4cccc5occc54)C3)ccc21 ZINC000257311543 570142047 /nfs/dbraw/zinc/14/20/47/570142047.db2.gz UJZHEVFVRIGSDB-SFHVURJKSA-N 1 1 463.534 3.880 40 0 JHABMO CCCn1c(=O)oc2cc(NC(=O)C[N@H+]3CCOC[C@@H](Cc4cccc5occc54)C3)ccc21 ZINC000257311543 570142049 /nfs/dbraw/zinc/14/20/49/570142049.db2.gz UJZHEVFVRIGSDB-SFHVURJKSA-N 1 1 463.534 3.880 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257318273 570143964 /nfs/dbraw/zinc/14/39/64/570143964.db2.gz VNESVLYXYFRTGZ-REWPJTCUSA-N 1 1 489.538 3.779 40 0 JHABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H]2CCCCC(=O)N3Cc2cccc(C)c2)c1 ZINC000257319105 570144199 /nfs/dbraw/zinc/14/41/99/570144199.db2.gz VQTOGZAZXXCXKQ-IZZNHLLZSA-N 1 1 492.620 3.946 40 0 JHABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@H+]2CC[C@@H]3[C@@H]2CCCCC(=O)N3Cc2cccc(C)c2)c1 ZINC000257319105 570144200 /nfs/dbraw/zinc/14/42/00/570144200.db2.gz VQTOGZAZXXCXKQ-IZZNHLLZSA-N 1 1 492.620 3.946 40 0 JHABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)CCCC(=O)N2 ZINC000257321121 570144793 /nfs/dbraw/zinc/14/47/93/570144793.db2.gz WADXTPRLOBMAJE-HFZDXXHNSA-N 1 1 464.516 3.797 40 0 JHABMO CO[C@@]1(COc2ccc(C)cc2)CCC[N@@H+](Cc2ccc(OCCN3CCNC3=O)cc2)CC1 ZINC000257320995 570144801 /nfs/dbraw/zinc/14/48/01/570144801.db2.gz VZQNQIZPLGQLEN-MHZLTWQESA-N 1 1 467.610 3.849 40 0 JHABMO Cc1cccnc1C(=O)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257321252 570144836 /nfs/dbraw/zinc/14/48/36/570144836.db2.gz WAVRVGAUVWUHMQ-UHFFFAOYSA-N 1 1 485.028 3.509 40 0 JHABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@@H+]2CC(=O)Nc2ccnn2C(C)C)c1 ZINC000257330339 570147604 /nfs/dbraw/zinc/14/76/04/570147604.db2.gz XNYLREYANAFCGY-WATLYSKOSA-N 1 1 453.587 3.676 40 0 JHABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@H+]2CC(=O)Nc2ccnn2C(C)C)c1 ZINC000257330339 570147606 /nfs/dbraw/zinc/14/76/06/570147606.db2.gz XNYLREYANAFCGY-WATLYSKOSA-N 1 1 453.587 3.676 40 0 JHABMO COc1ccc(C2(C(=O)N3CC[N@@H+](C)C[C@H](Cc4cnc5ccccc5c4)C3)CCOCC2)cc1 ZINC000257337517 570149711 /nfs/dbraw/zinc/14/97/11/570149711.db2.gz YTCJVXHTGQWXDM-QHCPKHFHSA-N 1 1 473.617 3.925 40 0 JHABMO CN(c1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000409180881 570159108 /nfs/dbraw/zinc/15/91/08/570159108.db2.gz WWQYVWPPJYNUFY-UHFFFAOYSA-N 1 1 463.603 3.630 40 0 JHABMO CC(C)[NH+]1CCN(C(=O)c2nc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n3ccccc23)CC1 ZINC000306138438 570178631 /nfs/dbraw/zinc/17/86/31/570178631.db2.gz RXMVZHIWCXEMCI-JOCHJYFZSA-N 1 1 459.594 3.520 40 0 JHABMO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000006197873 524058461 /nfs/dbraw/zinc/05/84/61/524058461.db2.gz KGKCUIMTQVVUCC-JOCHJYFZSA-N 1 1 450.587 3.591 40 0 JHABMO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCCC3)cc2c1 ZINC000006197873 524058465 /nfs/dbraw/zinc/05/84/65/524058465.db2.gz KGKCUIMTQVVUCC-JOCHJYFZSA-N 1 1 450.587 3.591 40 0 JHABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(OC)cc3[nH]c2=O)[N@H+](C)C2CCCCC2)cc1 ZINC000006198628 524268261 /nfs/dbraw/zinc/26/82/61/524268261.db2.gz XIHPJKWWYFWTNO-RUZDIDTESA-N 1 1 488.592 3.934 40 0 JHABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(OC)cc3[nH]c2=O)[N@@H+](C)C2CCCCC2)cc1 ZINC000006198628 524268270 /nfs/dbraw/zinc/26/82/70/524268270.db2.gz XIHPJKWWYFWTNO-RUZDIDTESA-N 1 1 488.592 3.934 40 0 JHABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857136 525068195 /nfs/dbraw/zinc/06/81/95/525068195.db2.gz OVLIWHWCLYALPL-MRXNPFEDSA-N 1 1 479.440 3.942 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000022534384 527385993 /nfs/dbraw/zinc/38/59/93/527385993.db2.gz QLZXLFNCSUIOSO-UHFFFAOYSA-N 1 1 466.607 3.984 40 0 JHABMO COc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(C)cc3)c(=O)[nH]c2c1 ZINC000000879697 553816205 /nfs/dbraw/zinc/81/62/05/553816205.db2.gz HMNIDEOSLWMISB-UHFFFAOYSA-N 1 1 480.634 3.766 40 0 JHABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](O[C@@H]2CCCCO2)[C@@H]1OC ZINC000005063184 554485930 /nfs/dbraw/zinc/48/59/30/554485930.db2.gz VTHDACIJKLUNPX-HDEKPYIWSA-N 1 1 498.620 3.832 40 0 JHABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](O[C@@H]2CCCCO2)[C@@H]1OC ZINC000005063184 554485933 /nfs/dbraw/zinc/48/59/33/554485933.db2.gz VTHDACIJKLUNPX-HDEKPYIWSA-N 1 1 498.620 3.832 40 0 JHABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc4c(c3)OCO4)[NH+]3CCCCCC3)cc2c1 ZINC000013496059 555410863 /nfs/dbraw/zinc/41/08/63/555410863.db2.gz UPGXANUPUMRFKR-RUZDIDTESA-N 1 1 486.576 3.874 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013498920 555425948 /nfs/dbraw/zinc/42/59/48/555425948.db2.gz BXNIYYOAROFOCU-XMMPIXPASA-N 1 1 480.613 3.836 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013498921 555425955 /nfs/dbraw/zinc/42/59/55/555425955.db2.gz BXNIYYOAROFOCU-DEOSSOPVSA-N 1 1 480.613 3.836 40 0 JHABMO Cc1cccc2cc(C[N@H+](CCCO)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501230 555448568 /nfs/dbraw/zinc/44/85/68/555448568.db2.gz FRIZMQWZHFTFKW-UHFFFAOYSA-N 1 1 450.587 3.592 40 0 JHABMO Cc1cccc2cc(C[N@@H+](CCCO)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501230 555448572 /nfs/dbraw/zinc/44/85/72/555448572.db2.gz FRIZMQWZHFTFKW-UHFFFAOYSA-N 1 1 450.587 3.592 40 0 JHABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(C)cc3)cc2c1 ZINC000013511738 555483499 /nfs/dbraw/zinc/48/34/99/555483499.db2.gz JONMDKZVRSBOSQ-UHFFFAOYSA-N 1 1 478.593 3.992 40 0 JHABMO COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013582942 555520431 /nfs/dbraw/zinc/52/04/31/555520431.db2.gz IXYVITMAIYIVHB-UHFFFAOYSA-N 1 1 493.629 3.638 40 0 JHABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2Cl)c(C)c1 ZINC000013676227 555567295 /nfs/dbraw/zinc/56/72/95/555567295.db2.gz VZHXXMVBBKUROB-UHFFFAOYSA-N 1 1 450.004 3.973 40 0 JHABMO CC[NH+]1CCN(C(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)CC1 ZINC000013680084 555572336 /nfs/dbraw/zinc/57/23/36/555572336.db2.gz HMYOVYBIQRKROY-UHFFFAOYSA-N 1 1 470.422 3.737 40 0 JHABMO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000020083685 555631336 /nfs/dbraw/zinc/63/13/36/555631336.db2.gz AYEOTGUMIHHXIN-VWLOTQADSA-N 1 1 485.636 3.794 40 0 JHABMO COc1cccc(N2C(=O)C[C@H]([NH+]3CCC(C4CCN(C(=O)c5ccc(F)cc5)CC4)CC3)C2=O)c1 ZINC000015080653 555872375 /nfs/dbraw/zinc/87/23/75/555872375.db2.gz KECMTOZOVWUYMJ-VWLOTQADSA-N 1 1 493.579 3.731 40 0 JHABMO O=C1[C@@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1ccccc1 ZINC000012376447 555964153 /nfs/dbraw/zinc/96/41/53/555964153.db2.gz HJRPWMQCDYZUOL-DOUCHOMGSA-N 1 1 463.537 3.713 40 0 JHABMO Fc1ccc(Cn2nnnc2[C@@H](c2ccccc2F)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929406 555981619 /nfs/dbraw/zinc/98/16/19/555981619.db2.gz NGVLSUGDMSZXOD-RUZDIDTESA-N 1 1 460.532 3.907 40 0 JHABMO CC[C@@H](c1nnnn1CCOC)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065295 556263708 /nfs/dbraw/zinc/26/37/08/556263708.db2.gz RMKOQFIVIBSTGU-DEOSSOPVSA-N 1 1 474.609 3.974 40 0 JHABMO CC[C@@H](c1nnnn1CCOC)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065295 556263710 /nfs/dbraw/zinc/26/37/10/556263710.db2.gz RMKOQFIVIBSTGU-DEOSSOPVSA-N 1 1 474.609 3.974 40 0 JHABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019522937 556350667 /nfs/dbraw/zinc/35/06/67/556350667.db2.gz GZGNWXRRYRSQFC-VWLOTQADSA-N 1 1 485.636 3.739 40 0 JHABMO Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NCCC[NH+]3CCOCC3)C3CCCCC3)cc2c1 ZINC000019823824 556394508 /nfs/dbraw/zinc/39/45/08/556394508.db2.gz KBSKMUVWIAVLCP-UHFFFAOYSA-N 1 1 470.683 3.876 40 0 JHABMO Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019825490 556396665 /nfs/dbraw/zinc/39/66/65/556396665.db2.gz RSALYSUNCDIRKN-UHFFFAOYSA-N 1 1 484.691 3.805 40 0 JHABMO c1c(CC2([NH2+]Cc3cnc4ccccc4c3)COC2)noc1CN1CCN(c2ccccc2)CC1 ZINC000067898439 560049930 /nfs/dbraw/zinc/04/99/30/560049930.db2.gz XZYQEWIVOYEIKZ-UHFFFAOYSA-N 1 1 469.589 3.646 40 0 biogenic,in-vitro JHABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000033936976 569638091 /nfs/dbraw/zinc/63/80/91/569638091.db2.gz SLTYHYXAMOVEGT-FYYLOGMGSA-N 1 1 450.587 3.898 40 0 JHABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000033936976 569638093 /nfs/dbraw/zinc/63/80/93/569638093.db2.gz SLTYHYXAMOVEGT-FYYLOGMGSA-N 1 1 450.587 3.898 40 0 JHABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000033937009 569638481 /nfs/dbraw/zinc/63/84/81/569638481.db2.gz ZHRRVVJEFKEKGQ-VWNXMTODSA-N 1 1 480.613 3.988 40 0 JHABMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035844153 569714879 /nfs/dbraw/zinc/71/48/79/569714879.db2.gz DXTOYFRFQKMZLK-ZVVFGRKBSA-N 1 1 453.901 3.527 40 0 JHABMO O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039757712 569811471 /nfs/dbraw/zinc/81/14/71/569811471.db2.gz XGZMSRXNDAUQIQ-UHFFFAOYSA-N 1 1 459.949 3.802 40 0 JHABMO O=C(Nc1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103522189 569835743 /nfs/dbraw/zinc/83/57/43/569835743.db2.gz ASURZQRPSMSXKP-XQUALCHDSA-N 1 1 453.473 3.980 40 0 JHABMO O=C(Nc1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103522189 569835744 /nfs/dbraw/zinc/83/57/44/569835744.db2.gz ASURZQRPSMSXKP-XQUALCHDSA-N 1 1 453.473 3.980 40 0 JHABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000222540958 569885379 /nfs/dbraw/zinc/88/53/79/569885379.db2.gz DNANDBDOEIGEHZ-QGZVFWFLSA-N 1 1 472.998 3.517 40 0 JHABMO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cc2)cc1 ZINC000224720211 569954714 /nfs/dbraw/zinc/95/47/14/569954714.db2.gz RIPPHAUHVIDGDX-UHFFFAOYSA-N 1 1 493.629 3.582 40 0 JHABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000408825854 570052419 /nfs/dbraw/zinc/05/24/19/570052419.db2.gz AYKVBNNFCBAIML-UHFFFAOYSA-N 1 1 470.617 3.980 40 0 JHABMO CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@@H]43)cc2O1 ZINC000257198770 570107421 /nfs/dbraw/zinc/10/74/21/570107421.db2.gz IBBOWHCQFLNGOV-JMLSTEMRSA-N 1 1 480.605 3.936 40 0 JHABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccc(F)cc2)cc1 ZINC000409059955 570113687 /nfs/dbraw/zinc/11/36/87/570113687.db2.gz STDCRBMKXPMTHQ-UHFFFAOYSA-N 1 1 495.620 3.669 40 0 JHABMO Cc1n[nH]cc1CN1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257222880 570114909 /nfs/dbraw/zinc/11/49/09/570114909.db2.gz DUYRWAFMBYNSPF-XMMPIXPASA-N 1 1 461.006 3.590 40 0 JHABMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2N2CCOCC2)cc1 ZINC000257233610 570118090 /nfs/dbraw/zinc/11/80/90/570118090.db2.gz GPXYWAOERQZOJU-XTBZXYEFSA-N 1 1 479.621 3.839 40 0 JHABMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2N2CCOCC2)cc1 ZINC000257233610 570118092 /nfs/dbraw/zinc/11/80/92/570118092.db2.gz GPXYWAOERQZOJU-XTBZXYEFSA-N 1 1 479.621 3.839 40 0 JHABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2[C@H](Cc3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)c(Cl)c1 ZINC000257242654 570120910 /nfs/dbraw/zinc/12/09/10/570120910.db2.gz IDNFJBVINLORRI-HUVFLSCGSA-N 1 1 483.012 3.981 40 0 JHABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2[C@H](Cc3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)c(Cl)c1 ZINC000257242654 570120911 /nfs/dbraw/zinc/12/09/11/570120911.db2.gz IDNFJBVINLORRI-HUVFLSCGSA-N 1 1 483.012 3.981 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000257244318 570121307 /nfs/dbraw/zinc/12/13/07/570121307.db2.gz IKTRYEUAEYKGHE-SANMLTNESA-N 1 1 470.013 3.806 40 0 JHABMO Cc1nonc1COc1ccccc1C(=O)N1CC[N@H+](C)C[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257245439 570121760 /nfs/dbraw/zinc/12/17/60/570121760.db2.gz IPNRMWVYWUJILH-OAQYLSRUSA-N 1 1 471.561 3.752 40 0 JHABMO Cc1cc(Oc2ccccc2C)nc(C2CC[NH+](Cc3ccnc(N4CCOCC4)n3)CC2)n1 ZINC000257252182 570123704 /nfs/dbraw/zinc/12/37/04/570123704.db2.gz JTVBPUQBHZVNAA-UHFFFAOYSA-N 1 1 460.582 3.892 40 0 JHABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)n1 ZINC000257262601 570127181 /nfs/dbraw/zinc/12/71/81/570127181.db2.gz LMAVIVDMASXJPO-NRFANRHFSA-N 1 1 473.577 3.962 40 0 JHABMO O=C(CN1CC[C@@]2(CCC[N@H+]2CCc2ccccc2)[C@@H](O)C1)Nc1ccc(Br)cc1 ZINC000257267892 570128927 /nfs/dbraw/zinc/12/89/27/570128927.db2.gz MJHFTDZSBMCXJR-UPVQGACJSA-N 1 1 472.427 3.532 40 0 JHABMO COCC[N@H+]1CC[C@H](CNC(=O)C2(Cc3cccc(-c4cccc(OC)c4)c3)CCOCC2)C1 ZINC000257300265 570138468 /nfs/dbraw/zinc/13/84/68/570138468.db2.gz RTRDRCQMSHDZQW-HSZRJFAPSA-N 1 1 466.622 3.786 40 0 JHABMO CCc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257324650 570145829 /nfs/dbraw/zinc/14/58/29/570145829.db2.gz WPPNDRHJTYDXFU-UGKGYDQZSA-N 1 1 473.017 3.798 40 0 JHABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCC(=O)N3CCOCC3)cc2)CC1 ZINC000257326327 570146368 /nfs/dbraw/zinc/14/63/68/570146368.db2.gz WWURQHLWIPTOCP-MHZLTWQESA-N 1 1 486.584 3.513 40 0 JHABMO Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC2(C[C@H](Cc3cccc(F)c3)N(CC(C)C)C2=O)CC1 ZINC000257339888 570150443 /nfs/dbraw/zinc/15/04/43/570150443.db2.gz ZDOXYDVYFKQGFD-QFIPXVFZSA-N 1 1 469.605 3.686 40 0 JHABMO COCCNc1nc([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)cc2ccccc21 ZINC000257343453 570151435 /nfs/dbraw/zinc/15/14/35/570151435.db2.gz ZTCHKPAHRUZVHF-FQEVSTJZSA-N 1 1 476.577 3.882 40 0 JHABMO COCCNc1nc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)cc2ccccc21 ZINC000257343453 570151436 /nfs/dbraw/zinc/15/14/36/570151436.db2.gz ZTCHKPAHRUZVHF-FQEVSTJZSA-N 1 1 476.577 3.882 40 0 JHABMO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2cccc3[nH]ccc32)CCO1)N1CCOCC1 ZINC000257343885 570151494 /nfs/dbraw/zinc/15/14/94/570151494.db2.gz ZUTMFECYSMFYTJ-AREMUKBSSA-N 1 1 483.996 3.720 40 0 JHABMO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2cccc3[nH]ccc32)CCO1)N1CCOCC1 ZINC000257343885 570151495 /nfs/dbraw/zinc/15/14/95/570151495.db2.gz ZUTMFECYSMFYTJ-AREMUKBSSA-N 1 1 483.996 3.720 40 0 JHABMO Cn1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)c3ccncc3)c4=O)C2)c2ccccc21 ZINC000003841947 194363851 /nfs/dbraw/zinc/36/38/51/194363851.db2.gz UHDRPALPPOFTQE-AZUAARDMSA-N 1 1 453.546 3.607 40 0 biogenic,in-vitro JHABMO COc1ccc(OC)c([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000096299549 130053130 /nfs/dbraw/zinc/05/31/30/130053130.db2.gz BXLXKADKLDMVBK-MUUNZHRXSA-N 1 1 498.631 3.840 40 0 JHABMO COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006301057 554529693 /nfs/dbraw/zinc/52/96/93/554529693.db2.gz UKFKPNJXRPAUFI-HSZRJFAPSA-N 1 1 464.614 3.914 40 0 JHABMO COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006301057 554529694 /nfs/dbraw/zinc/52/96/94/554529694.db2.gz UKFKPNJXRPAUFI-HSZRJFAPSA-N 1 1 464.614 3.914 40 0 JHABMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000009331581 555101389 /nfs/dbraw/zinc/10/13/89/555101389.db2.gz HZWRDYGRQQRKPO-PAXILDSZSA-N 1 1 486.355 3.742 40 0 JHABMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000009331581 555101390 /nfs/dbraw/zinc/10/13/90/555101390.db2.gz HZWRDYGRQQRKPO-PAXILDSZSA-N 1 1 486.355 3.742 40 0 JHABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C ZINC000020109175 555644600 /nfs/dbraw/zinc/64/46/00/555644600.db2.gz SGTYAJQJKYKOEG-UHFFFAOYSA-N 1 1 462.594 3.579 40 0 JHABMO COc1ccccc1NC(=O)N(CCC[NH+]1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000020109201 555644928 /nfs/dbraw/zinc/64/49/28/555644928.db2.gz HCZMKKWICLSILY-UHFFFAOYSA-N 1 1 478.593 3.910 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)NCc3ccccc3)cc12 ZINC000020109202 555644940 /nfs/dbraw/zinc/64/49/40/555644940.db2.gz SBVLOUXPKTUAED-UHFFFAOYSA-N 1 1 462.594 3.579 40 0 JHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)C1 ZINC000020110455 555646508 /nfs/dbraw/zinc/64/65/08/555646508.db2.gz FJQYSSQYLKVBMA-HDICACEKSA-N 1 1 488.069 3.505 40 0 JHABMO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1Br ZINC000014277215 555785443 /nfs/dbraw/zinc/78/54/43/555785443.db2.gz BYTXDYZSWMFPSX-UHFFFAOYSA-N 1 1 497.846 3.990 40 0 JHABMO Fc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929898 555982804 /nfs/dbraw/zinc/98/28/04/555982804.db2.gz XMJKKQGPXNGGJC-AREMUKBSSA-N 1 1 456.569 3.962 40 0 JHABMO COc1ccc(CCn2nnnc2[C@H](c2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022929984 555983142 /nfs/dbraw/zinc/98/31/42/555983142.db2.gz RHAVJSJFQKLTQH-NDEPHWFRSA-N 1 1 498.631 3.840 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCCC[NH+]3CCOCC3)cc12 ZINC000026099734 556241182 /nfs/dbraw/zinc/24/11/82/556241182.db2.gz SMSHAFOOCXGMLH-UHFFFAOYSA-N 1 1 478.662 3.744 40 0 JHABMO O[C@@H](COc1c(F)cc(Br)cc1F)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000026919807 556265804 /nfs/dbraw/zinc/26/58/04/556265804.db2.gz FAUWJJNCQIHFQX-QGZVFWFLSA-N 1 1 475.761 3.938 40 0 JHABMO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019824425 556395420 /nfs/dbraw/zinc/39/54/20/556395420.db2.gz HRLJCHOKPBXZGL-UHFFFAOYSA-N 1 1 494.661 3.526 40 0 JHABMO CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019825448 556396746 /nfs/dbraw/zinc/39/67/46/556396746.db2.gz ITCBZDCESXCJKS-UHFFFAOYSA-N 1 1 484.691 3.751 40 0 JHABMO COc1ccccc1N1CCN(C(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000059437066 569603915 /nfs/dbraw/zinc/60/39/15/569603915.db2.gz IWZMWTNRIPFFBD-UHFFFAOYSA-N 1 1 484.644 3.975 40 0 JHABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000033936993 569638169 /nfs/dbraw/zinc/63/81/69/569638169.db2.gz ZVOYFYAXOHBKMT-GGAORHGYSA-N 1 1 466.586 3.598 40 0 JHABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000033936993 569638171 /nfs/dbraw/zinc/63/81/71/569638171.db2.gz ZVOYFYAXOHBKMT-GGAORHGYSA-N 1 1 466.586 3.598 40 0 JHABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000033936994 569638430 /nfs/dbraw/zinc/63/84/30/569638430.db2.gz ZVOYFYAXOHBKMT-FYYLOGMGSA-N 1 1 466.586 3.598 40 0 JHABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000033936994 569638433 /nfs/dbraw/zinc/63/84/33/569638433.db2.gz ZVOYFYAXOHBKMT-FYYLOGMGSA-N 1 1 466.586 3.598 40 0 JHABMO COc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)cc2c1 ZINC000033937235 569638690 /nfs/dbraw/zinc/63/86/90/569638690.db2.gz KCFRSTSTGQIPAY-ISKFKSNPSA-N 1 1 480.613 3.844 40 0 JHABMO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000034828966 569663035 /nfs/dbraw/zinc/66/30/35/569663035.db2.gz JJHRXZGFKLPUEV-PLOUGOBLSA-N 1 1 453.901 3.527 40 0 JHABMO COc1ccc(N2C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(OC)c1 ZINC000034849519 569667139 /nfs/dbraw/zinc/66/71/39/569667139.db2.gz ATOYITPMNRJLAL-MYDTUXCISA-N 1 1 460.530 3.834 40 0 JHABMO COc1ccc(N2C(=O)[C@@H]3[C@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(OC)c1 ZINC000034849519 569667140 /nfs/dbraw/zinc/66/71/40/569667140.db2.gz ATOYITPMNRJLAL-MYDTUXCISA-N 1 1 460.530 3.834 40 0 JHABMO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034931886 569673548 /nfs/dbraw/zinc/67/35/48/569673548.db2.gz XZEFWJFRBQPZBG-HXUWFJFHSA-N 1 1 498.048 3.941 40 0 JHABMO O=C(NCc1ccc(F)c(F)c1)c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1 ZINC000096038396 569732444 /nfs/dbraw/zinc/73/24/44/569732444.db2.gz KMKDUUJNPGVFPJ-UHFFFAOYSA-N 1 1 461.516 3.865 40 0 JHABMO Cc1nc(-c2nc(C(=O)N3CCC[N@H+](C)CC3)c3ccccn32)cn1Cc1ccc(F)cc1F ZINC000096155203 569736643 /nfs/dbraw/zinc/73/66/43/569736643.db2.gz SYBVHAGJTYIFEE-UHFFFAOYSA-N 1 1 464.520 3.610 40 0 JHABMO COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000038755338 569806953 /nfs/dbraw/zinc/80/69/53/569806953.db2.gz MDNZDKAILDXRHH-UHFFFAOYSA-N 1 1 482.606 3.540 40 0 JHABMO COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038772872 569807799 /nfs/dbraw/zinc/80/77/99/569807799.db2.gz ITSRFAIWQRYHOY-IBGZPJMESA-N 1 1 471.623 3.964 40 0 JHABMO Cc1ccccc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000044791751 569838926 /nfs/dbraw/zinc/83/89/26/569838926.db2.gz USRLQLQDEDUUFP-UHFFFAOYSA-N 1 1 463.603 3.535 40 0 JHABMO CCc1ccccc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000044792271 569838989 /nfs/dbraw/zinc/83/89/89/569838989.db2.gz RSUIPCGJMOFPPG-UHFFFAOYSA-N 1 1 477.630 3.789 40 0 JHABMO COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)C(C)(C)C)c(OC)c1 ZINC000103965284 569839646 /nfs/dbraw/zinc/83/96/46/569839646.db2.gz ATOYITPMNRJLAL-GPJHCHHRSA-N 1 1 460.530 3.834 40 0 JHABMO COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)c(OC)c1 ZINC000103965284 569839647 /nfs/dbraw/zinc/83/96/47/569839647.db2.gz ATOYITPMNRJLAL-GPJHCHHRSA-N 1 1 460.530 3.834 40 0 JHABMO O=C(CCc1nc(-c2cccnc2)no1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225834852 570023972 /nfs/dbraw/zinc/02/39/72/570023972.db2.gz LYTTWWJZKVSYMV-UHFFFAOYSA-N 1 1 453.546 3.998 40 0 JHABMO CCCc1ccc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)o1 ZINC000257203855 570109046 /nfs/dbraw/zinc/10/90/46/570109046.db2.gz ARYGFJIPQUEWCR-SANMLTNESA-N 1 1 490.044 3.700 40 0 JHABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1CCC[C@@]2(CN(c3ccccc3)C(=O)CO2)CC1 ZINC000257206544 570109912 /nfs/dbraw/zinc/10/99/12/570109912.db2.gz BDXOZFNPUBZOAF-MHZLTWQESA-N 1 1 458.562 3.668 40 0 JHABMO CCN1CC[NH+](CCC(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)CC1 ZINC000257233289 570118010 /nfs/dbraw/zinc/11/80/10/570118010.db2.gz GOQIYBQKESVYJT-HSZRJFAPSA-N 1 1 485.076 3.944 40 0 JHABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(C(F)(F)F)c2)C[C@H]1NC(=O)c1cocn1 ZINC000257242653 570120919 /nfs/dbraw/zinc/12/09/19/570120919.db2.gz IDMXGVIQJULZOK-YJMBLLCNSA-N 1 1 475.467 3.505 40 0 JHABMO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](Cc3ccnc(N4CCCCC4)n3)C2)cc1 ZINC000257243306 570121056 /nfs/dbraw/zinc/12/10/56/570121056.db2.gz IGHQMGMCZPBSKV-HXUWFJFHSA-N 1 1 459.598 3.894 40 0 JHABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2cccc(CNC(=O)c3ccccc3)c2)cc1 ZINC000257268156 570128967 /nfs/dbraw/zinc/12/89/67/570128967.db2.gz MKMJBJLJISWRTQ-KAYWLYCHSA-N 1 1 471.601 3.629 40 0 JHABMO C[NH+]1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000257284133 570133932 /nfs/dbraw/zinc/13/39/32/570133932.db2.gz PBIPIEDJCATITE-UHFFFAOYSA-N 1 1 470.013 3.806 40 0 JHABMO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3cccnc3)C2)ccc1Cl ZINC000257304856 570139847 /nfs/dbraw/zinc/13/98/47/570139847.db2.gz SNKKBXJHVUFZQQ-VWLOTQADSA-N 1 1 458.002 3.954 40 0 JHABMO Clc1ccccc1Oc1nccnc1C1CC[NH+](Cc2ccnc(N3CCOCC3)n2)CC1 ZINC000257341635 570150764 /nfs/dbraw/zinc/15/07/64/570150764.db2.gz ZLFWXZITMNHJSN-UHFFFAOYSA-N 1 1 466.973 3.929 40 0 JHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000260801542 570158528 /nfs/dbraw/zinc/15/85/28/570158528.db2.gz BUIXEBVCBNVJMB-AZUAARDMSA-N 1 1 456.052 3.512 40 0 JHABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)cc3[nH]c2=O)[NH+]2CCCCCC2)cc1 ZINC000006410104 194425905 /nfs/dbraw/zinc/42/59/05/194425905.db2.gz JIIVUVFHROZEAD-XMMPIXPASA-N 1 1 458.566 3.845 40 0 JHABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(-c5cccc(C(F)(F)F)c5)ccc43)C2)CC1 ZINC000012601711 195047015 /nfs/dbraw/zinc/04/70/15/195047015.db2.gz HBHITWDTZSLANA-PKOBYXMFSA-N 1 1 459.512 3.964 40 0 biogenic,in-vitro JHABMO COc1cc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)cc(OC)c1OC ZINC000012644495 195073393 /nfs/dbraw/zinc/07/33/93/195073393.db2.gz WAYMGHTTWCCCNG-UHFFFAOYSA-N 1 1 477.561 3.699 40 0 JHABMO COc1cc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+](C)C3CCCCC3)c(=O)[nH]c2cc1OC ZINC000057594985 195352475 /nfs/dbraw/zinc/35/24/75/195352475.db2.gz DBBRNBXJMSCPFH-RUZDIDTESA-N 1 1 488.592 3.934 40 0 JHABMO COc1cc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+](C)C3CCCCC3)c(=O)[nH]c2cc1OC ZINC000057594985 195352477 /nfs/dbraw/zinc/35/24/77/195352477.db2.gz DBBRNBXJMSCPFH-RUZDIDTESA-N 1 1 488.592 3.934 40 0 JHABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4C4CCN(C)CC4)n3)cn2)cc1 ZINC000049155231 523747627 /nfs/dbraw/zinc/74/76/27/523747627.db2.gz YHHUODYVCLGANO-NRFANRHFSA-N 1 1 462.554 3.624 40 0 biogenic,in-vitro JHABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4C4CCN(C)CC4)n3)cn2)cc1 ZINC000049155231 523747635 /nfs/dbraw/zinc/74/76/35/523747635.db2.gz YHHUODYVCLGANO-NRFANRHFSA-N 1 1 462.554 3.624 40 0 biogenic,in-vitro JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000044839632 527385522 /nfs/dbraw/zinc/38/55/22/527385522.db2.gz IVMSUZWKDOCLBU-UHFFFAOYSA-N 1 1 466.588 3.997 40 0 JHABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000000874638 553811394 /nfs/dbraw/zinc/81/13/94/553811394.db2.gz DIYNERXOJYMFBT-UHFFFAOYSA-N 1 1 468.598 3.897 40 0 JHABMO Cc1cc2cc(C[N@@H+](CCCO)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498954 555426351 /nfs/dbraw/zinc/42/63/51/555426351.db2.gz LBRUNFJMKKCUFK-RUZDIDTESA-N 1 1 492.599 3.901 40 0 JHABMO Cc1cc2cc(C[N@H+](CCCO)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498954 555426356 /nfs/dbraw/zinc/42/63/56/555426356.db2.gz LBRUNFJMKKCUFK-RUZDIDTESA-N 1 1 492.599 3.901 40 0 JHABMO Cc1ccc2cc(C[N@@H+](CCCO)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1C ZINC000013499150 555428418 /nfs/dbraw/zinc/42/84/18/555428418.db2.gz QJNHFNUFUDTYBV-RUZDIDTESA-N 1 1 474.609 3.761 40 0 JHABMO Cc1ccc2cc(C[N@H+](CCCO)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1C ZINC000013499150 555428419 /nfs/dbraw/zinc/42/84/19/555428419.db2.gz QJNHFNUFUDTYBV-RUZDIDTESA-N 1 1 474.609 3.761 40 0 JHABMO CCC[C@@H](c1nnnn1CCOC)[N@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499380 555431008 /nfs/dbraw/zinc/43/10/08/555431008.db2.gz DPGANTXULKBCPL-VWLOTQADSA-N 1 1 490.608 3.756 40 0 JHABMO CCC[C@@H](c1nnnn1CCOC)[N@@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499380 555431011 /nfs/dbraw/zinc/43/10/11/555431011.db2.gz DPGANTXULKBCPL-VWLOTQADSA-N 1 1 490.608 3.756 40 0 JHABMO CCOc1cc(NC(=S)NCCC[NH+]2CCOCC2)c(OCC)cc1NC(=O)c1cccs1 ZINC000013556322 555494117 /nfs/dbraw/zinc/49/41/17/555494117.db2.gz YLZZNGZKQGNYAH-UHFFFAOYSA-N 1 1 492.667 3.807 40 0 JHABMO CC1CC[NH+](CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1 ZINC000010112525 555625716 /nfs/dbraw/zinc/62/57/16/555625716.db2.gz NSAACXXMHIMMDU-UHFFFAOYSA-N 1 1 450.004 3.993 40 0 JHABMO CC[C@@H](c1nnnn1C(C)(C)CC)N(CCC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013858315 555636711 /nfs/dbraw/zinc/63/67/11/555636711.db2.gz YJJBWOVORJHYDT-QHCPKHFHSA-N 1 1 495.672 3.644 40 0 JHABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)cc3OC)cc2Cl)CC1 ZINC000021596097 555854614 /nfs/dbraw/zinc/85/46/14/555854614.db2.gz AVNFTPZZWHXTJW-UHFFFAOYSA-N 1 1 463.003 3.626 40 0 JHABMO COc1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000022928661 555979677 /nfs/dbraw/zinc/97/96/77/555979677.db2.gz HLYUULYGAQITIA-RUZDIDTESA-N 1 1 462.598 3.713 40 0 JHABMO COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000022928664 555979787 /nfs/dbraw/zinc/97/97/87/555979787.db2.gz HLYUULYGAQITIA-VWLOTQADSA-N 1 1 462.598 3.713 40 0 JHABMO COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929481 555981682 /nfs/dbraw/zinc/98/16/82/555981682.db2.gz LHIAZFVIUYUFOG-MHZLTWQESA-N 1 1 468.605 3.946 40 0 JHABMO O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1CCC[N@H+]1[C@@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000018209957 556310471 /nfs/dbraw/zinc/31/04/71/556310471.db2.gz HJRPWMQCDYZUOL-ANARSLNQSA-N 1 1 463.537 3.713 40 0 JHABMO COc1cccc(NC(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CC[NH+](C)CC3)C[C@H]2C(C)C)c1 ZINC000030880777 556386421 /nfs/dbraw/zinc/38/64/21/556386421.db2.gz CJUAPUCTSBZRHL-HFMPRLQTSA-N 1 1 456.631 3.835 40 0 biogenic,in-vitro JHABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000019822625 556392033 /nfs/dbraw/zinc/39/20/33/556392033.db2.gz RNJQJBVTZYEFHR-UHFFFAOYSA-N 1 1 450.608 3.758 40 0 JHABMO Cc1cc2cc(CN(Cc3ccccc3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1C ZINC000019824247 556395044 /nfs/dbraw/zinc/39/50/44/556395044.db2.gz HWKDZNSZCQFCHA-UHFFFAOYSA-N 1 1 478.662 3.744 40 0 JHABMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O ZINC000035843306 569714442 /nfs/dbraw/zinc/71/44/42/569714442.db2.gz UJPDBNVSNRGNTJ-VLTRPUBQSA-N 1 1 479.964 3.705 40 0 JHABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035844058 569714768 /nfs/dbraw/zinc/71/47/68/569714768.db2.gz OIRQYYWGWGDPGU-YTSMVRMISA-N 1 1 456.329 3.733 40 0 JHABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035844058 569714769 /nfs/dbraw/zinc/71/47/69/569714769.db2.gz OIRQYYWGWGDPGU-YTSMVRMISA-N 1 1 456.329 3.733 40 0 JHABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(I)cc3)[nH]2)cc1OCC ZINC000095534562 569725474 /nfs/dbraw/zinc/72/54/74/569725474.db2.gz QILHSGACTWDJDW-KRWDZBQOSA-N 1 1 464.307 3.922 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)cc1 ZINC000038772481 569807631 /nfs/dbraw/zinc/80/76/31/569807631.db2.gz HKAQGISMTWHDHK-UHFFFAOYSA-N 1 1 476.533 3.812 40 0 JHABMO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039759494 569811519 /nfs/dbraw/zinc/81/15/19/569811519.db2.gz NBYAZHXJPFJHGP-UHFFFAOYSA-N 1 1 480.005 3.531 40 0 JHABMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)C12CCCC2 ZINC000170613714 569872923 /nfs/dbraw/zinc/87/29/23/569872923.db2.gz ODHLAEZTVHTILR-QDSKXPNFSA-N 1 1 453.627 3.566 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000216420361 569878775 /nfs/dbraw/zinc/87/87/75/569878775.db2.gz FQMCJLALSKKUTO-UHFFFAOYSA-N 1 1 467.378 3.570 40 0 JHABMO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408598065 569967840 /nfs/dbraw/zinc/96/78/40/569967840.db2.gz ZGUFPMMAVITHHX-RUZDIDTESA-N 1 1 498.048 3.574 40 0 JHABMO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc(C(=O)OC)c1 ZINC000225584498 570007660 /nfs/dbraw/zinc/00/76/60/570007660.db2.gz CWRHUROHKGJDCS-UHFFFAOYSA-N 1 1 462.905 3.903 40 0 JHABMO CN(CC(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1ccc2ccccc2c1 ZINC000226043530 570033824 /nfs/dbraw/zinc/03/38/24/570033824.db2.gz CJEZIMZRBQIVEM-UHFFFAOYSA-N 1 1 482.993 3.890 40 0 JHABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408985989 570092371 /nfs/dbraw/zinc/09/23/71/570092371.db2.gz BPICBIXPZOUVEX-QHCPKHFHSA-N 1 1 499.589 3.922 40 0 JHABMO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](CC(C)C)CC2=O ZINC000253394108 570095784 /nfs/dbraw/zinc/09/57/84/570095784.db2.gz AFXSBTUYMVBNIS-XVKSFEOWSA-N 1 1 455.643 3.816 40 0 JHABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000253499307 570100907 /nfs/dbraw/zinc/10/09/07/570100907.db2.gz XNXAZYSOQWRUJH-URXFXBBRSA-N 1 1 461.614 3.864 40 0 JHABMO CC(C)n1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc2c1=O ZINC000257199196 570107596 /nfs/dbraw/zinc/10/75/96/570107596.db2.gz WFJPDQLFFXTXBG-BEPULHBCSA-N 1 1 460.622 3.942 40 0 JHABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2F)cc1 ZINC000409057518 570112484 /nfs/dbraw/zinc/11/24/84/570112484.db2.gz GYUJCVMZFYPERS-UHFFFAOYSA-N 1 1 495.620 3.669 40 0 JHABMO CCC(CC)C(=O)N1CCC[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257231573 570117512 /nfs/dbraw/zinc/11/75/12/570117512.db2.gz GHHDXQWNBYYCSS-RUZDIDTESA-N 1 1 464.050 3.928 40 0 JHABMO COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3C[N@@H+](CC(=O)N4CC(=O)Nc5ccccc54)CC[C@@H]3O[C@H]21 ZINC000257234952 570118584 /nfs/dbraw/zinc/11/85/84/570118584.db2.gz GVTMBFJXEGBPOX-XNPFDXIYSA-N 1 1 491.588 3.620 40 0 JHABMO COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3C[N@H+](CC(=O)N4CC(=O)Nc5ccccc54)CC[C@@H]3O[C@H]21 ZINC000257234952 570118585 /nfs/dbraw/zinc/11/85/85/570118585.db2.gz GVTMBFJXEGBPOX-XNPFDXIYSA-N 1 1 491.588 3.620 40 0 JHABMO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](Cc3ccnc(N4CCCCC4)n3)C2)cc1 ZINC000257243305 570121009 /nfs/dbraw/zinc/12/10/09/570121009.db2.gz IGHQMGMCZPBSKV-FQEVSTJZSA-N 1 1 459.598 3.894 40 0 JHABMO Cc1ccsc1CN1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257257818 570125545 /nfs/dbraw/zinc/12/55/45/570125545.db2.gz KRFCVGBGTVFMLM-XMMPIXPASA-N 1 1 478.058 3.524 40 0 JHABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CCN2C(=O)COc3ccc(Cl)cc32)n1 ZINC000257270510 570129734 /nfs/dbraw/zinc/12/97/34/570129734.db2.gz MUNKLHRXODYTPK-IBGZPJMESA-N 1 1 465.941 3.708 40 0 JHABMO C[C@]1(O)CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2OCC(N)=O)C[C@@H]1Oc1ccccc1 ZINC000257292991 570136431 /nfs/dbraw/zinc/13/64/31/570136431.db2.gz QNSKCDKYHWCVCR-XCZPVHLTSA-N 1 1 476.573 3.534 40 0 JHABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)c(Cl)c1 ZINC000257307031 570140349 /nfs/dbraw/zinc/14/03/49/570140349.db2.gz SWYRBKGBTXEOOK-SEIBCYHCSA-N 1 1 483.012 3.981 40 0 JHABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)c(Cl)c1 ZINC000257307031 570140351 /nfs/dbraw/zinc/14/03/51/570140351.db2.gz SWYRBKGBTXEOOK-SEIBCYHCSA-N 1 1 483.012 3.981 40 0 JHABMO Cc1ccc(C(=O)N2CCC(COc3ccc(F)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000257315647 570143258 /nfs/dbraw/zinc/14/32/58/570143258.db2.gz VCGSEYBPLWSFKZ-UHFFFAOYSA-N 1 1 467.585 3.600 40 0 JHABMO CO[C@]1(COc2ccc(C)cc2)CCC[N@@H+](Cc2ccc(OCCN3CCNC3=O)cc2)CC1 ZINC000257320994 570144778 /nfs/dbraw/zinc/14/47/78/570144778.db2.gz VZQNQIZPLGQLEN-HHHXNRCGSA-N 1 1 467.610 3.849 40 0 JHABMO CC(=O)N[C@]12CN(CC(=O)NC(c3ccccc3)c3ccccc3)[C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000257323417 570145554 /nfs/dbraw/zinc/14/55/54/570145554.db2.gz WKAYANGOPXKNGB-VEIFUORISA-N 1 1 496.655 3.776 40 0 JHABMO CN(C)CC(=O)Nc1cc(-c2c[nH]nc2[C@@H]2CCCC[N@H+]2CCOCc2ccccc2)ccn1 ZINC000257332603 570148248 /nfs/dbraw/zinc/14/82/48/570148248.db2.gz XXZJUWLRBKUQNL-QHCPKHFHSA-N 1 1 462.598 3.716 40 0 JHABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCC(=O)N2C ZINC000257342275 570151033 /nfs/dbraw/zinc/15/10/33/570151033.db2.gz ZNXRKKHKIBVVMS-RPLLCQBOSA-N 1 1 460.553 4.000 40 0 JHABMO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2cccc3[nH]ccc32)CCO1)N1CCOCC1 ZINC000257343886 570151531 /nfs/dbraw/zinc/15/15/31/570151531.db2.gz ZUTMFECYSMFYTJ-SANMLTNESA-N 1 1 483.996 3.720 40 0 JHABMO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2cccc3[nH]ccc32)CCO1)N1CCOCC1 ZINC000257343886 570151532 /nfs/dbraw/zinc/15/15/32/570151532.db2.gz ZUTMFECYSMFYTJ-SANMLTNESA-N 1 1 483.996 3.720 40 0 JHABMO CC[NH+]1CCN(C(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000409272810 570189438 /nfs/dbraw/zinc/18/94/38/570189438.db2.gz SMPZHVOAHDWUBP-UHFFFAOYSA-N 1 1 470.422 3.661 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374248 194108252 /nfs/dbraw/zinc/10/82/52/194108252.db2.gz WOHZBXNTAJDSCU-XMMPIXPASA-N 1 1 488.592 3.582 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374248 194108254 /nfs/dbraw/zinc/10/82/54/194108254.db2.gz WOHZBXNTAJDSCU-XMMPIXPASA-N 1 1 488.592 3.582 40 0 JHABMO Cc1nc2cc(N3CC[NH+](C)CC3)c(NC(=O)Cc3ccccc3)cc2c(=O)n1Cc1ccccc1 ZINC000001360569 194101949 /nfs/dbraw/zinc/10/19/49/194101949.db2.gz AELCCCWWNDHJKN-UHFFFAOYSA-N 1 1 481.600 3.686 40 0 JHABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1OC ZINC000012710636 195094814 /nfs/dbraw/zinc/09/48/14/195094814.db2.gz KRMINSCHTDIFRT-FQEVSTJZSA-N 1 1 492.576 3.826 40 0 JHABMO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+](C)C3CCCCC3)cc2c1 ZINC000057584859 195350914 /nfs/dbraw/zinc/35/09/14/195350914.db2.gz LNFDDMSHSVVZLO-DEOSSOPVSA-N 1 1 458.566 3.925 40 0 JHABMO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+](C)C3CCCCC3)cc2c1 ZINC000057584859 195350916 /nfs/dbraw/zinc/35/09/16/195350916.db2.gz LNFDDMSHSVVZLO-DEOSSOPVSA-N 1 1 458.566 3.925 40 0 JHABMO COc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000008602276 524602130 /nfs/dbraw/zinc/60/21/30/524602130.db2.gz LYIVDCCDLKARIB-JBXUNAHCSA-N 1 1 471.557 3.977 40 0 JHABMO COc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000008602276 524602138 /nfs/dbraw/zinc/60/21/38/524602138.db2.gz LYIVDCCDLKARIB-JBXUNAHCSA-N 1 1 471.557 3.977 40 0 JHABMO COc1ccc(OC)c([C@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022928690 524907956 /nfs/dbraw/zinc/90/79/56/524907956.db2.gz UNLNARBZEVNRTQ-RUZDIDTESA-N 1 1 462.598 3.713 40 0 JHABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857135 524912249 /nfs/dbraw/zinc/91/22/49/524912249.db2.gz OVLIWHWCLYALPL-INIZCTEOSA-N 1 1 479.440 3.942 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000020482198 527371754 /nfs/dbraw/zinc/37/17/54/527371754.db2.gz OBVOIOINCVRMME-UHFFFAOYSA-N 1 1 452.580 3.594 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000020492589 527384277 /nfs/dbraw/zinc/38/42/77/527384277.db2.gz CRGKKQXBBCPBLR-UHFFFAOYSA-N 1 1 460.559 3.939 40 0 JHABMO COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006300737 554529360 /nfs/dbraw/zinc/52/93/60/554529360.db2.gz UKFKPNJXRPAUFI-QHCPKHFHSA-N 1 1 464.614 3.914 40 0 JHABMO COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006300737 554529362 /nfs/dbraw/zinc/52/93/62/554529362.db2.gz UKFKPNJXRPAUFI-QHCPKHFHSA-N 1 1 464.614 3.914 40 0 JHABMO COc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)C3CCCC3)cc2c1 ZINC000013498653 555423392 /nfs/dbraw/zinc/42/33/92/555423392.db2.gz KCFRSTSTGQIPAY-UPVQGACJSA-N 1 1 480.613 3.844 40 0 JHABMO Cc1cc2cc(C[N@@H+](CCCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498946 555426321 /nfs/dbraw/zinc/42/63/21/555426321.db2.gz NEBPXTQQCIDEHN-HSZRJFAPSA-N 1 1 452.603 3.828 40 0 JHABMO Cc1cc2cc(C[N@H+](CCCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498946 555426325 /nfs/dbraw/zinc/42/63/25/555426325.db2.gz NEBPXTQQCIDEHN-HSZRJFAPSA-N 1 1 452.603 3.828 40 0 JHABMO CCC[C@H](c1nnnn1CCOC)[N@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499379 555430922 /nfs/dbraw/zinc/43/09/22/555430922.db2.gz DPGANTXULKBCPL-RUZDIDTESA-N 1 1 490.608 3.756 40 0 JHABMO CCC[C@H](c1nnnn1CCOC)[N@@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499379 555430925 /nfs/dbraw/zinc/43/09/25/555430925.db2.gz DPGANTXULKBCPL-RUZDIDTESA-N 1 1 490.608 3.756 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000020036204 555610576 /nfs/dbraw/zinc/61/05/76/555610576.db2.gz JFOJXYWZJXOPAV-UHFFFAOYSA-N 1 1 467.378 3.570 40 0 JHABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2ccccc2)cc1 ZINC000020047216 555617563 /nfs/dbraw/zinc/61/75/63/555617563.db2.gz PCPHJJNXHGERPY-UHFFFAOYSA-N 1 1 490.585 3.701 40 0 JHABMO CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000020049304 555618764 /nfs/dbraw/zinc/61/87/64/555618764.db2.gz UMTOYIOOWLPSHT-QHCPKHFHSA-N 1 1 454.596 3.659 40 0 JHABMO COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022928670 555979874 /nfs/dbraw/zinc/97/98/74/555979874.db2.gz QVDZCKJFEPCGDO-VWLOTQADSA-N 1 1 462.598 3.713 40 0 JHABMO CN(c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)S(=O)(=O)c1cccs1 ZINC000026113953 556244885 /nfs/dbraw/zinc/24/48/85/556244885.db2.gz ZXMYRKBIOBMJKW-UHFFFAOYSA-N 1 1 455.605 3.531 40 0 JHABMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000030867768 556383874 /nfs/dbraw/zinc/38/38/74/556383874.db2.gz LAWIHYJWCQWHAI-UHFFFAOYSA-N 1 1 482.606 3.684 40 0 JHABMO CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000033784865 569634857 /nfs/dbraw/zinc/63/48/57/569634857.db2.gz AYRAODBRFZDFIE-MUCKBHKGSA-N 1 1 451.526 3.685 40 0 JHABMO COc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)C3CCCC3)cc2c1 ZINC000033937234 569638616 /nfs/dbraw/zinc/63/86/16/569638616.db2.gz KCFRSTSTGQIPAY-VWNXMTODSA-N 1 1 480.613 3.844 40 0 JHABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000033937386 569639047 /nfs/dbraw/zinc/63/90/47/569639047.db2.gz XJZSJSFQRDSSEE-FYYLOGMGSA-N 1 1 450.587 3.898 40 0 JHABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000033937386 569639049 /nfs/dbraw/zinc/63/90/49/569639049.db2.gz XJZSJSFQRDSSEE-FYYLOGMGSA-N 1 1 450.587 3.898 40 0 JHABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000033937394 569639143 /nfs/dbraw/zinc/63/91/43/569639143.db2.gz SMNHLSIXSGXQSP-IFMALSPDSA-N 1 1 494.596 3.708 40 0 JHABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(I)cc3)[nH]2)cc1OCC ZINC000095534563 569725614 /nfs/dbraw/zinc/72/56/14/569725614.db2.gz QILHSGACTWDJDW-QGZVFWFLSA-N 1 1 464.307 3.922 40 0 JHABMO COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000095232846 569722253 /nfs/dbraw/zinc/72/22/53/569722253.db2.gz MANWDRWHONVULU-SANMLTNESA-N 1 1 454.578 3.637 40 0 JHABMO COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000095232852 569722302 /nfs/dbraw/zinc/72/23/02/569722302.db2.gz UNVNKIINEQXCQQ-MHZLTWQESA-N 1 1 484.604 3.646 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000216301050 569878182 /nfs/dbraw/zinc/87/81/82/569878182.db2.gz WKCRTDZSBGLFCO-UHFFFAOYSA-N 1 1 454.596 3.660 40 0 JHABMO CN(C)S(=O)(=O)c1ccc(CCC(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222883091 569893459 /nfs/dbraw/zinc/89/34/59/569893459.db2.gz XAOGXJVIKRHIPK-UHFFFAOYSA-N 1 1 475.014 3.690 40 0 JHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 ZINC000224318922 569940352 /nfs/dbraw/zinc/94/03/52/569940352.db2.gz JBMKUYOUTDWPCF-OAQYLSRUSA-N 1 1 485.650 3.512 40 0 JHABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000408624302 569979683 /nfs/dbraw/zinc/97/96/83/569979683.db2.gz SEJCACLNMQRMET-UHFFFAOYSA-N 1 1 495.620 3.521 40 0 JHABMO COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000225882368 570026278 /nfs/dbraw/zinc/02/62/78/570026278.db2.gz BCOOIHYZZIEYEI-UHFFFAOYSA-N 1 1 455.374 3.732 40 0 JHABMO O=C(c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000408829652 570052667 /nfs/dbraw/zinc/05/26/67/570052667.db2.gz LOJMYXROGSEAQS-UHFFFAOYSA-N 1 1 454.618 3.967 40 0 JHABMO CC(C)NC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C1CCCC1)CC2=O ZINC000253406882 570097272 /nfs/dbraw/zinc/09/72/72/570097272.db2.gz VEOGKACHCQKLRP-GUBXLBAESA-N 1 1 453.627 3.759 40 0 JHABMO CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@H]43)cc2O1 ZINC000257198768 570107325 /nfs/dbraw/zinc/10/73/25/570107325.db2.gz IBBOWHCQFLNGOV-FMIMRNNVSA-N 1 1 480.605 3.936 40 0 JHABMO Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3C[N@@H+](CC(=O)N4CC(=O)Nc5ccccc54)CC[C@@H]3O[C@H]21 ZINC000257208143 570110408 /nfs/dbraw/zinc/11/04/08/570110408.db2.gz BKXIOMCQZZBIAE-DTNONLPWSA-N 1 1 475.589 3.919 40 0 JHABMO Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3C[N@H+](CC(=O)N4CC(=O)Nc5ccccc54)CC[C@@H]3O[C@H]21 ZINC000257208143 570110410 /nfs/dbraw/zinc/11/04/10/570110410.db2.gz BKXIOMCQZZBIAE-DTNONLPWSA-N 1 1 475.589 3.919 40 0 JHABMO C[N@@H+](CCc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2F)C[C@H]1NC(=O)OC(C)(C)C ZINC000257212423 570111800 /nfs/dbraw/zinc/11/18/00/570111800.db2.gz CDILADPYNPEUHV-LGKPFJOYSA-N 1 1 462.537 3.913 40 0 JHABMO CCc1[nH+]ccn1CC(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCCCC2)CC1 ZINC000257228123 570116554 /nfs/dbraw/zinc/11/65/54/570116554.db2.gz FSJJVUVKKCNFKH-UHFFFAOYSA-N 1 1 452.599 3.536 40 0 JHABMO C[N@H+]1CCCCC[C@@H]2N(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)[C@H](Cc3ccccc3)C[C@@]21C ZINC000257242093 570120814 /nfs/dbraw/zinc/12/08/14/570120814.db2.gz IBCAHIGURYSBKH-QURRFSBHSA-N 1 1 461.610 3.745 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3ccc(F)c(Cl)c3)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257293037 570136409 /nfs/dbraw/zinc/13/64/09/570136409.db2.gz QNXCROZQEAXSMY-MBSDFSHPSA-N 1 1 491.966 3.692 40 0 JHABMO O=C(Cn1cncn1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1F)C[N@H+]2Cc1ccc(Cl)cc1 ZINC000257319582 570144312 /nfs/dbraw/zinc/14/43/12/570144312.db2.gz VTDFDYWVLMUKIH-MQSCRBSSSA-N 1 1 471.939 3.726 40 0 JHABMO CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CC[NH+](CC(=O)N1CC(=O)Nc3ccccc31)CC2 ZINC000257321993 570145038 /nfs/dbraw/zinc/14/50/38/570145038.db2.gz WEFKDQNCEVODCS-QHCPKHFHSA-N 1 1 488.632 3.554 40 0 JHABMO COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3C[N@H+](CC(=O)N4CC(=O)Nc5ccccc54)CC[C@@H]3O[C@H]21 ZINC000257325321 570145914 /nfs/dbraw/zinc/14/59/14/570145914.db2.gz WSLNLFCNLHKJJQ-DFTONYJCSA-N 1 1 491.588 3.620 40 0 JHABMO COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3C[N@@H+](CC(=O)N4CC(=O)Nc5ccccc54)CC[C@@H]3O[C@H]21 ZINC000257325321 570145915 /nfs/dbraw/zinc/14/59/15/570145915.db2.gz WSLNLFCNLHKJJQ-DFTONYJCSA-N 1 1 491.588 3.620 40 0 JHABMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]31)CC2 ZINC000012659815 195079708 /nfs/dbraw/zinc/07/97/08/195079708.db2.gz KVFNXTACKHFLKO-FXIGITPDSA-N 1 1 455.595 3.908 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000020083385 524214662 /nfs/dbraw/zinc/21/46/62/524214662.db2.gz FKNNBOJPJLGKLX-RUZDIDTESA-N 1 1 485.636 3.794 40 0 JHABMO C[C@H]1Cc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449681 524979620 /nfs/dbraw/zinc/97/96/20/524979620.db2.gz PZOCNMBSMOSKBY-FQEVSTJZSA-N 1 1 493.604 3.924 40 0 JHABMO COc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(C)c3)cc2c1 ZINC000000884893 553823316 /nfs/dbraw/zinc/82/33/16/553823316.db2.gz GINXEWDHQOTCPY-UHFFFAOYSA-N 1 1 480.634 3.766 40 0 JHABMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000009063714 554881703 /nfs/dbraw/zinc/88/17/03/554881703.db2.gz YCBLBMNADWHMGK-UHFFFAOYSA-N 1 1 462.905 3.903 40 0 JHABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc4c(c3)OCO4)[NH+]3CCCCCC3)cc2c1 ZINC000013496060 555410891 /nfs/dbraw/zinc/41/08/91/555410891.db2.gz UPGXANUPUMRFKR-VWLOTQADSA-N 1 1 486.576 3.874 40 0 JHABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)cc1 ZINC000020028444 555603767 /nfs/dbraw/zinc/60/37/67/555603767.db2.gz XLYIXWSSMBRGGH-UHFFFAOYSA-N 1 1 463.603 3.535 40 0 JHABMO COc1ccc(NC(=O)N(CCC[NH+]2CCOCC2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000020109172 555644596 /nfs/dbraw/zinc/64/45/96/555644596.db2.gz AFYCINXRMJSQFK-UHFFFAOYSA-N 1 1 464.566 3.602 40 0 JHABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 ZINC000010544229 555726142 /nfs/dbraw/zinc/72/61/42/555726142.db2.gz HBTHSCVHKCIFRS-FQEVSTJZSA-N 1 1 465.660 3.644 40 0 JHABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064284 556261936 /nfs/dbraw/zinc/26/19/36/556261936.db2.gz INOZRACELRVJBR-GMAHTHKFSA-N 1 1 466.586 3.598 40 0 JHABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064284 556261938 /nfs/dbraw/zinc/26/19/38/556261938.db2.gz INOZRACELRVJBR-GMAHTHKFSA-N 1 1 466.586 3.598 40 0 JHABMO COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000027075928 556273536 /nfs/dbraw/zinc/27/35/36/556273536.db2.gz LKZBLJXQHFYYFM-ZYQDXHPFSA-N 1 1 465.509 3.849 40 0 JHABMO COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000027075928 556273540 /nfs/dbraw/zinc/27/35/40/556273540.db2.gz LKZBLJXQHFYYFM-ZYQDXHPFSA-N 1 1 465.509 3.849 40 0 JHABMO Cc1cccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c12 ZINC000019822765 556392479 /nfs/dbraw/zinc/39/24/79/556392479.db2.gz UOEVCMADYGABDZ-NRFANRHFSA-N 1 1 478.662 3.997 40 0 JHABMO Cc1cc2cc(CN(C(=S)NCCC[NH+]3CCOCC3)C3CCCCC3)c(=O)[nH]c2cc1C ZINC000019824269 556395395 /nfs/dbraw/zinc/39/53/95/556395395.db2.gz XONVLWGDNMWEKX-UHFFFAOYSA-N 1 1 470.683 3.876 40 0 JHABMO COc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)N[C@H](C)c3ccccc3)cc2c1 ZINC000019824893 556396135 /nfs/dbraw/zinc/39/61/35/556396135.db2.gz KNDYWLIHRFCNBK-HXUWFJFHSA-N 1 1 494.661 3.697 40 0 JHABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2ccc(OC)cc2OC)CC1 ZINC000057316108 569597490 /nfs/dbraw/zinc/59/74/90/569597490.db2.gz UTVNEFFCGJKAGW-UHFFFAOYSA-N 1 1 463.003 3.626 40 0 JHABMO COc1cc2c(cc1OC)C[N@@H+](C[C@H]1C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]31)[C@@H](C)C2 ZINC000036369525 569773112 /nfs/dbraw/zinc/77/31/12/569773112.db2.gz HEAXKDZPAXOEMH-JYPROHJWSA-N 1 1 455.595 3.735 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000216309981 569878282 /nfs/dbraw/zinc/87/82/82/569878282.db2.gz FRBIGMOPRCBDFA-UHFFFAOYSA-N 1 1 458.971 3.549 40 0 JHABMO 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CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013064282 556261947 /nfs/dbraw/zinc/26/19/47/556261947.db2.gz ZHRRVVJEFKEKGQ-UPVQGACJSA-N 1 1 480.613 3.988 40 0 JHABMO COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000026919909 556266138 /nfs/dbraw/zinc/26/61/38/556266138.db2.gz LYIVDCCDLKARIB-ZYQDXHPFSA-N 1 1 471.557 3.977 40 0 JHABMO COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000026919909 556266141 /nfs/dbraw/zinc/26/61/41/556266141.db2.gz LYIVDCCDLKARIB-ZYQDXHPFSA-N 1 1 471.557 3.977 40 0 JHABMO Cc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000019220979 556335376 /nfs/dbraw/zinc/33/53/76/556335376.db2.gz VOWLDARMKFXPRO-UHFFFAOYSA-N 1 1 452.530 3.732 40 0 JHABMO COc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](CC3CCCCC3)C2)cc1 ZINC000035415744 560081366 /nfs/dbraw/zinc/08/13/66/560081366.db2.gz UDTSWLBRSJZZGZ-VQTJNVASSA-N 1 1 471.623 3.657 40 0 biogenic,in-vitro JHABMO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@]4(c5ccccc5N(Cc5ccccc5)C4=O)[C@@H]3C2=O)cc1 ZINC000033821641 569635544 /nfs/dbraw/zinc/63/55/44/569635544.db2.gz BTOBZXHDANZKDV-NHICWYPXSA-N 1 1 493.563 3.721 40 0 JHABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000034668486 569640553 /nfs/dbraw/zinc/64/05/53/569640553.db2.gz CCIRPCCMFIKEEC-UHFFFAOYSA-N 1 1 484.644 3.975 40 0 JHABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000034888291 569669075 /nfs/dbraw/zinc/66/90/75/569669075.db2.gz CORTVJDNQYEVRF-PRHHBONVSA-N 1 1 474.319 3.872 40 0 JHABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000034888291 569669077 /nfs/dbraw/zinc/66/90/77/569669077.db2.gz CORTVJDNQYEVRF-PRHHBONVSA-N 1 1 474.319 3.872 40 0 JHABMO COc1ccc(C(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1S(=O)(=O)NC(C)C ZINC000222901485 569893960 /nfs/dbraw/zinc/89/39/60/569893960.db2.gz 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ZINC000408700960 570021559 /nfs/dbraw/zinc/02/15/59/570021559.db2.gz PAZDMILJEJOODL-XMMPIXPASA-N 1 1 499.677 3.564 40 0 JHABMO Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000225930640 570028202 /nfs/dbraw/zinc/02/82/02/570028202.db2.gz JPTVFMVPDFBBRC-UHFFFAOYSA-N 1 1 491.657 3.858 40 0 JHABMO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)c1 ZINC000257220020 570114154 /nfs/dbraw/zinc/11/41/54/570114154.db2.gz DJFCVJDSLFBXMI-QHCPKHFHSA-N 1 1 459.598 3.946 40 0 JHABMO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)c1 ZINC000257220020 570114155 /nfs/dbraw/zinc/11/41/55/570114155.db2.gz DJFCVJDSLFBXMI-QHCPKHFHSA-N 1 1 459.598 3.946 40 0 JHABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(CC3CCC(NC(=O)C4CCCCC4)CC3)n2)n[nH]1 ZINC000257226780 570116190 /nfs/dbraw/zinc/11/61/90/570116190.db2.gz FMCWXGUBEKQSHW-UHFFFAOYSA-N 1 1 494.688 3.801 40 0 JHABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)Cn1ncc3ccccc3c1=O)[C@H]2Cc1ccccc1 ZINC000257228452 570116575 /nfs/dbraw/zinc/11/65/75/570116575.db2.gz FTXKESMIHRUKLK-RVQLLOJVSA-N 1 1 470.617 3.872 40 0 JHABMO CCC(CC)C(=O)N1CCC[C@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257231574 570117539 /nfs/dbraw/zinc/11/75/39/570117539.db2.gz GHHDXQWNBYYCSS-VWLOTQADSA-N 1 1 464.050 3.928 40 0 JHABMO C[N@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000257246333 570122049 /nfs/dbraw/zinc/12/20/49/570122049.db2.gz ITPUAOMIKWBDSC-IBGZPJMESA-N 1 1 490.526 3.549 40 0 JHABMO COc1ccccc1C[N@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2F)C[C@H]1NC(=O)OC(C)(C)C ZINC000257264268 570127655 /nfs/dbraw/zinc/12/76/55/570127655.db2.gz LTROFAQCDBFYFI-QQUTXWOLSA-N 1 1 478.536 3.879 40 0 JHABMO COc1ccccc1C[N@@H+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2F)C[C@H]1NC(=O)OC(C)(C)C ZINC000257264268 570127657 /nfs/dbraw/zinc/12/76/57/570127657.db2.gz LTROFAQCDBFYFI-QQUTXWOLSA-N 1 1 478.536 3.879 40 0 JHABMO CC(=O)N1CC[N@H+](Cc2ccnc(N3CCCCC3)n2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257297948 570137755 /nfs/dbraw/zinc/13/77/55/570137755.db2.gz RJLOVLDLROGTHF-QFIPXVFZSA-N 1 1 458.610 3.538 40 0 JHABMO CC(=O)N1CC[N@@H+](Cc2ccnc(N3CCCCC3)n2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257297948 570137756 /nfs/dbraw/zinc/13/77/56/570137756.db2.gz RJLOVLDLROGTHF-QFIPXVFZSA-N 1 1 458.610 3.538 40 0 JHABMO CC(=O)Nc1cc(NC(=O)CN2CC[N@H+](C)C[C@H](Cc3cncc4ccccc43)C2)ccc1C ZINC000257305148 570139899 /nfs/dbraw/zinc/13/98/99/570139899.db2.gz SOQOBISPMPATCU-NRFANRHFSA-N 1 1 459.594 3.546 40 0 JHABMO COc1ccc(C)c(NC(=O)C[N@@H+]2[C@@H](Cc3ccccc3F)C[C@H]3NC(=O)CCCC[C@@H]32)c1 ZINC000257322988 570145377 /nfs/dbraw/zinc/14/53/77/570145377.db2.gz WIHUYIGBANREFP-IEXUWNMDSA-N 1 1 453.558 3.826 40 0 JHABMO COc1ccc(C)c(NC(=O)C[N@H+]2[C@@H](Cc3ccccc3F)C[C@H]3NC(=O)CCCC[C@@H]32)c1 ZINC000257322988 570145379 /nfs/dbraw/zinc/14/53/79/570145379.db2.gz WIHUYIGBANREFP-IEXUWNMDSA-N 1 1 453.558 3.826 40 0 JHABMO Cc1ccsc1C[N@@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257342001 570151004 /nfs/dbraw/zinc/15/10/04/570151004.db2.gz ZMRJDFPFMYRORW-QHCPKHFHSA-N 1 1 465.015 3.609 40 0 JHABMO Cc1ccsc1C[N@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)C1 ZINC000257342001 570151005 /nfs/dbraw/zinc/15/10/05/570151005.db2.gz ZMRJDFPFMYRORW-QHCPKHFHSA-N 1 1 465.015 3.609 40 0 JHABMO CCn1c2ccc(NC(=O)C[N@@H+]3CC[C@@H]4[C@@H]3CCCCC(=O)N4Cc3cccc(C)c3)cc2oc1=O ZINC000257343996 570151561 /nfs/dbraw/zinc/15/15/61/570151561.db2.gz ZVIFTVHOXWTSRR-XZOQPEGZSA-N 1 1 490.604 3.907 40 0 JHABMO CCn1c2ccc(NC(=O)C[N@H+]3CC[C@@H]4[C@@H]3CCCCC(=O)N4Cc3cccc(C)c3)cc2oc1=O ZINC000257343996 570151563 /nfs/dbraw/zinc/15/15/63/570151563.db2.gz ZVIFTVHOXWTSRR-XZOQPEGZSA-N 1 1 490.604 3.907 40 0 JHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000020451425 523167129 /nfs/dbraw/zinc/16/71/29/523167129.db2.gz CNMJNJOZVVKSNO-OAQYLSRUSA-N 1 1 470.079 3.653 40 0 JHABMO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2N1S(=O)(=O)c1ccc(F)cc1 ZINC000020449678 525520186 /nfs/dbraw/zinc/52/01/86/525520186.db2.gz PZOCNMBSMOSKBY-HXUWFJFHSA-N 1 1 493.604 3.924 40 0 JHABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000000879402 553815600 /nfs/dbraw/zinc/81/56/00/553815600.db2.gz PCBYTACHKQUPKI-UHFFFAOYSA-N 1 1 498.624 3.987 40 0 JHABMO O=C(Cn1nnc(-c2ccc(C[NH+]3CCOCC3)cc2)n1)N(c1ccccc1)c1ccccc1 ZINC000000907947 553840267 /nfs/dbraw/zinc/84/02/67/553840267.db2.gz CCHOVJGJEJDPBV-UHFFFAOYSA-N 1 1 454.534 3.537 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCCC3)cc12 ZINC000006321987 554531182 /nfs/dbraw/zinc/53/11/82/554531182.db2.gz GYHKMKCWOIGEAU-NRFANRHFSA-N 1 1 450.587 3.645 40 0 JHABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCCC3)cc12 ZINC000006321987 554531183 /nfs/dbraw/zinc/53/11/83/554531183.db2.gz GYHKMKCWOIGEAU-NRFANRHFSA-N 1 1 450.587 3.645 40 0 JHABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000009320173 555095137 /nfs/dbraw/zinc/09/51/37/555095137.db2.gz NADAMMMMTDIMII-OYSWMMLKSA-N 1 1 457.917 3.924 40 0 JHABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000009320173 555095139 /nfs/dbraw/zinc/09/51/39/555095139.db2.gz NADAMMMMTDIMII-OYSWMMLKSA-N 1 1 457.917 3.924 40 0 JHABMO CCOC(=O)c1ccccc1NC(=O)C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000013150648 555356306 /nfs/dbraw/zinc/35/63/06/555356306.db2.gz NQWFCVKDWGYRRO-UHFFFAOYSA-N 1 1 475.471 3.902 40 0 JHABMO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013498776 555424710 /nfs/dbraw/zinc/42/47/10/555424710.db2.gz OMGRBUNOEPDYRI-HSZRJFAPSA-N 1 1 468.602 3.702 40 0 JHABMO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000013498834 555425133 /nfs/dbraw/zinc/42/51/33/555425133.db2.gz UYZNWKVALBOLLM-XMMPIXPASA-N 1 1 498.628 3.710 40 0 JHABMO Cc1cc2cc(C[N@@H+](CCCO)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498947 555426298 /nfs/dbraw/zinc/42/62/98/555426298.db2.gz NEBPXTQQCIDEHN-QHCPKHFHSA-N 1 1 452.603 3.828 40 0 JHABMO Cc1cc2cc(C[N@H+](CCCO)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498947 555426300 /nfs/dbraw/zinc/42/63/00/555426300.db2.gz NEBPXTQQCIDEHN-QHCPKHFHSA-N 1 1 452.603 3.828 40 0 JHABMO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019856921 555517962 /nfs/dbraw/zinc/51/79/62/555517962.db2.gz ZUIXRONWPQKLBR-UHFFFAOYSA-N 1 1 463.603 3.778 40 0 JHABMO CCS(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020062741 555624501 /nfs/dbraw/zinc/62/45/01/555624501.db2.gz UNJBVQBSYFAKRH-UHFFFAOYSA-N 1 1 463.603 3.996 40 0 JHABMO COc1ccccc1NC(=O)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000020109272 555645199 /nfs/dbraw/zinc/64/51/99/555645199.db2.gz DQMJKBVNMQHCEV-UHFFFAOYSA-N 1 1 464.566 3.602 40 0 JHABMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C4CCN(C(=O)OCC)CC4)CC3)C2=O)cc1 ZINC000015080813 555872705 /nfs/dbraw/zinc/87/27/05/555872705.db2.gz HSLRCLAWBIQDBK-HSZRJFAPSA-N 1 1 471.598 3.688 40 0 JHABMO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccco3)nc(C)n2)cc1 ZINC000015672602 555929921 /nfs/dbraw/zinc/92/99/21/555929921.db2.gz BRAHFFZIBVRAKR-ZVDOUQERSA-N 1 1 452.580 3.510 40 0 biogenic,in-vitro JHABMO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccco3)nc(C)n2)cc1 ZINC000015672602 555929923 /nfs/dbraw/zinc/92/99/23/555929923.db2.gz BRAHFFZIBVRAKR-ZVDOUQERSA-N 1 1 452.580 3.510 40 0 biogenic,in-vitro JHABMO COc1ccc(Cn2nnnc2[C@H](c2ccc(OC)cc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929518 555981975 /nfs/dbraw/zinc/98/19/75/555981975.db2.gz YCXFMVXRYWODOW-MHZLTWQESA-N 1 1 484.604 3.646 40 0 JHABMO COc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929791 555982353 /nfs/dbraw/zinc/98/23/53/555982353.db2.gz HNXIUJJWWDBYHD-DEOSSOPVSA-N 1 1 460.607 3.699 40 0 JHABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013064087 556261444 /nfs/dbraw/zinc/26/14/44/556261444.db2.gz NEUXMWIDNOCFFC-LADGPHEKSA-N 1 1 480.613 3.988 40 0 JHABMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000018204229 556309315 /nfs/dbraw/zinc/30/93/15/556309315.db2.gz NVXIQRPWPCLIEH-VSCPTIONSA-N 1 1 457.917 3.924 40 0 JHABMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000018204229 556309318 /nfs/dbraw/zinc/30/93/18/556309318.db2.gz NVXIQRPWPCLIEH-VSCPTIONSA-N 1 1 457.917 3.924 40 0 JHABMO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2)cc1 ZINC000018217397 556312009 /nfs/dbraw/zinc/31/20/09/556312009.db2.gz VZMCOCKHHDOTAH-UHFFFAOYSA-N 1 1 493.629 3.582 40 0 JHABMO Cc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1C ZINC000019126161 556331647 /nfs/dbraw/zinc/33/16/47/556331647.db2.gz OCZKUXCPTZVGRD-UHFFFAOYSA-N 1 1 454.615 3.712 40 0 JHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019499571 556349340 /nfs/dbraw/zinc/34/93/40/556349340.db2.gz LNICOHDQIRGCRT-RUZDIDTESA-N 1 1 485.636 3.875 40 0 JHABMO CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019813046 556382671 /nfs/dbraw/zinc/38/26/71/556382671.db2.gz FILUHPBAPIGFKA-UHFFFAOYSA-N 1 1 463.603 3.611 40 0 JHABMO CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019822892 556392728 /nfs/dbraw/zinc/39/27/28/556392728.db2.gz VBYXORZGBGBANG-UHFFFAOYSA-N 1 1 478.662 3.690 40 0 JHABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4cnc5ccccc5c4)n3)ccn2)CC1 ZINC000067879604 560049209 /nfs/dbraw/zinc/04/92/09/560049209.db2.gz DRUIUJCCYDPCQT-DEOSSOPVSA-N 1 1 483.576 3.685 40 0 biogenic,in-vitro JHABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4cnc5ccccc5c4)n3)ccn2)CC1 ZINC000067879604 560049210 /nfs/dbraw/zinc/04/92/10/560049210.db2.gz DRUIUJCCYDPCQT-DEOSSOPVSA-N 1 1 483.576 3.685 40 0 biogenic,in-vitro JHABMO COc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095232849 569722234 /nfs/dbraw/zinc/72/22/34/569722234.db2.gz OPRYDMUKQBPRFN-AREMUKBSSA-N 1 1 454.578 3.637 40 0 JHABMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000101342879 569793620 /nfs/dbraw/zinc/79/36/20/569793620.db2.gz MIZHYXVCKPFOEU-KLSTYFJDSA-N 1 1 460.292 3.564 40 0 JHABMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000101342879 569793622 /nfs/dbraw/zinc/79/36/22/569793622.db2.gz MIZHYXVCKPFOEU-KLSTYFJDSA-N 1 1 460.292 3.564 40 0 JHABMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101343456 569793737 /nfs/dbraw/zinc/79/37/37/569793737.db2.gz OIRQYYWGWGDPGU-NWFVXXGESA-N 1 1 456.329 3.733 40 0 JHABMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101343456 569793738 /nfs/dbraw/zinc/79/37/38/569793738.db2.gz OIRQYYWGWGDPGU-NWFVXXGESA-N 1 1 456.329 3.733 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000038757253 569807516 /nfs/dbraw/zinc/80/75/16/569807516.db2.gz ZOZZPGXUJZUXHA-CQSZACIVSA-N 1 1 481.405 3.958 40 0 JHABMO CCN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000039986833 569813270 /nfs/dbraw/zinc/81/32/70/569813270.db2.gz VRQBWBZNYIGIQM-UHFFFAOYSA-N 1 1 491.657 3.939 40 0 JHABMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000103530078 569835868 /nfs/dbraw/zinc/83/58/68/569835868.db2.gz JJHRXZGFKLPUEV-ZVVFGRKBSA-N 1 1 453.901 3.527 40 0 JHABMO COc1cc([C@@H]2[NH+]=C(N3CCC(Cc4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc(OC)c1O ZINC000104280068 569844609 /nfs/dbraw/zinc/84/46/09/569844609.db2.gz WGDNDZWYGAAXQR-RUZDIDTESA-N 1 1 489.576 3.558 40 0 JHABMO O=C(NCc1cccc(CN2CCOCC2)c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000224756541 569956217 /nfs/dbraw/zinc/95/62/17/569956217.db2.gz SZRWHXIUISMKHE-UHFFFAOYSA-N 1 1 459.993 3.840 40 0 JHABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000226074155 570036014 /nfs/dbraw/zinc/03/60/14/570036014.db2.gz RDPZODAHUWFSCY-UHFFFAOYSA-N 1 1 490.988 3.656 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(C(=O)CCC3CCCC3)C2)CC1 ZINC000257217713 570113479 /nfs/dbraw/zinc/11/34/79/570113479.db2.gz DAGWLDXHNRFMRY-HHHXNRCGSA-N 1 1 455.643 3.809 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CCCN(C(=O)c3ccc(F)cc3F)C2)CC1 ZINC000257221198 570114397 /nfs/dbraw/zinc/11/43/97/570114397.db2.gz DNXZKDSNWOAOPM-SANMLTNESA-N 1 1 489.538 3.569 40 0 JHABMO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](CC(=O)Nc3ccc(OC(F)F)cc3)[C@H]1CCCC(=O)N2 ZINC000257228110 570116601 /nfs/dbraw/zinc/11/66/01/570116601.db2.gz FSIASUHKFTZEJG-QVNIBDNGSA-N 1 1 457.521 3.971 40 0 JHABMO NC(=O)COc1ccc(OCc2ccccc2)cc1C[N@H+]1CC[C@H](O)[C@@H](Oc2cccc(F)c2)CC1 ZINC000257240423 570120382 /nfs/dbraw/zinc/12/03/82/570120382.db2.gz HTLFUOUSHPOKNS-BDYUSTAISA-N 1 1 494.563 3.673 40 0 JHABMO CCc1[nH+]ccn1CC(=O)N1CCC2(C[C@H](Cc3cccc(F)c3)N(CC(C)C)C2=O)CC1 ZINC000257289222 570135328 /nfs/dbraw/zinc/13/53/28/570135328.db2.gz PXPVIHDYPPMMJF-QFIPXVFZSA-N 1 1 454.590 3.693 40 0 JHABMO COCC[N@H+]1CC[C@H](CNC(=O)C2(Cc3cccc(-c4cc(F)ccc4OC)c3)CCOCC2)C1 ZINC000257291321 570136019 /nfs/dbraw/zinc/13/60/19/570136019.db2.gz QGMARTCOIICXJX-JOCHJYFZSA-N 1 1 484.612 3.925 40 0 JHABMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1OCc1ccccc1)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257300901 570138774 /nfs/dbraw/zinc/13/87/74/570138774.db2.gz RWDNMWJHVWUMLD-INNMJMHTSA-N 1 1 479.665 3.709 40 0 JHABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@@H+]2CC(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000257303400 570139395 /nfs/dbraw/zinc/13/93/95/570139395.db2.gz SHBBIEZOCIVDLX-DPZBCOQUSA-N 1 1 478.593 3.857 40 0 JHABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@H+]2CC(=O)Nc2ccc(NC(C)=O)cc2)c1 ZINC000257303400 570139396 /nfs/dbraw/zinc/13/93/96/570139396.db2.gz SHBBIEZOCIVDLX-DPZBCOQUSA-N 1 1 478.593 3.857 40 0 JHABMO Cc1cc(OCC2(CC(=O)N3CC[NH+](C)CC3)CCN(C(=O)CC(C)C)CC2)ccc1Cl ZINC000257319430 570144302 /nfs/dbraw/zinc/14/43/02/570144302.db2.gz VSNDHOMJQPUXSF-UHFFFAOYSA-N 1 1 464.050 3.846 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(C(=O)c3ccccc3F)C2)CC1 ZINC000257342481 570151149 /nfs/dbraw/zinc/15/11/49/570151149.db2.gz ZOVWZTNFOSFHCL-AREMUKBSSA-N 1 1 488.003 3.945 40 0 JHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000044949262 523167358 /nfs/dbraw/zinc/16/73/58/523167358.db2.gz FEHKQPBDJMIYQD-LJQANCHMSA-N 1 1 488.069 3.792 40 0 JHABMO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000020083682 525648573 /nfs/dbraw/zinc/64/85/73/525648573.db2.gz AYEOTGUMIHHXIN-RUZDIDTESA-N 1 1 485.636 3.794 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000044847512 527371846 /nfs/dbraw/zinc/37/18/46/527371846.db2.gz AIDVSPJGEUBRDU-UHFFFAOYSA-N 1 1 466.607 3.984 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000020455180 527383808 /nfs/dbraw/zinc/38/38/08/527383808.db2.gz UZMKSYHOJHABAU-UHFFFAOYSA-N 1 1 460.559 3.692 40 0 JHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000022517154 527384134 /nfs/dbraw/zinc/38/41/34/527384134.db2.gz CNVABZFHESBZOM-UHFFFAOYSA-N 1 1 472.998 3.551 40 0 JHABMO Cc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCc3ccccc3)c(=O)[nH]c2cc1C ZINC000000878908 553815078 /nfs/dbraw/zinc/81/50/78/553815078.db2.gz SOUPAURYJYXXPE-UHFFFAOYSA-N 1 1 478.662 3.744 40 0 JHABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3I)cc2Cl)CC1 ZINC000008832646 554727601 /nfs/dbraw/zinc/72/76/01/554727601.db2.gz PPQFGHAEEOFMTF-UHFFFAOYSA-N 1 1 455.727 3.949 40 0 JHABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009109044 554897485 /nfs/dbraw/zinc/89/74/85/554897485.db2.gz OIRQYYWGWGDPGU-PRHHBONVSA-N 1 1 456.329 3.733 40 0 JHABMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000009109044 554897489 /nfs/dbraw/zinc/89/74/89/554897489.db2.gz OIRQYYWGWGDPGU-PRHHBONVSA-N 1 1 456.329 3.733 40 0 JHABMO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499501 555432212 /nfs/dbraw/zinc/43/22/12/555432212.db2.gz UJCAXTIUWYBLHL-HSZRJFAPSA-N 1 1 480.613 3.981 40 0 JHABMO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500110 555436910 /nfs/dbraw/zinc/43/69/10/555436910.db2.gz YBEKBTZDJBSDDE-NRFANRHFSA-N 1 1 466.586 3.672 40 0 JHABMO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500186 555437616 /nfs/dbraw/zinc/43/76/16/555437616.db2.gz FKMOYSRSRTYOCH-QHCPKHFHSA-N 1 1 496.612 3.762 40 0 JHABMO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cc2cc(OCC)ccc2[nH]c1=O)C1CCCC1 ZINC000013500186 555437618 /nfs/dbraw/zinc/43/76/18/555437618.db2.gz FKMOYSRSRTYOCH-QHCPKHFHSA-N 1 1 496.612 3.762 40 0 JHABMO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013501131 555447786 /nfs/dbraw/zinc/44/77/86/555447786.db2.gz GETJAZDMEZYLEM-NRFANRHFSA-N 1 1 466.586 3.672 40 0 JHABMO Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013583267 555520589 /nfs/dbraw/zinc/52/05/89/555520589.db2.gz PKCWBHUSFYLPKE-UHFFFAOYSA-N 1 1 477.630 3.793 40 0 JHABMO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000013585540 555524005 /nfs/dbraw/zinc/52/40/05/555524005.db2.gz LJDWDDXRVWYPST-UHFFFAOYSA-N 1 1 493.629 3.543 40 0 JHABMO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000020049301 555618756 /nfs/dbraw/zinc/61/87/56/555618756.db2.gz UMTOYIOOWLPSHT-HSZRJFAPSA-N 1 1 454.596 3.659 40 0 JHABMO COc1ccc(CC2=C[N@H+](C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000020469837 555791799 /nfs/dbraw/zinc/79/17/99/555791799.db2.gz GVOBWEAJHBUABD-VWLOTQADSA-N 1 1 475.545 3.855 40 0 JHABMO COc1ccc(CC2=C[N@@H+](C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000020469837 555791801 /nfs/dbraw/zinc/79/18/01/555791801.db2.gz GVOBWEAJHBUABD-VWLOTQADSA-N 1 1 475.545 3.855 40 0 JHABMO COc1ccc(Cn2nnnc2[C@H](c2ccc(F)cc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022929495 555981570 /nfs/dbraw/zinc/98/15/70/555981570.db2.gz QDGVBKVOSIIMEV-SANMLTNESA-N 1 1 472.568 3.776 40 0 JHABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000013064088 556261492 /nfs/dbraw/zinc/26/14/92/556261492.db2.gz NEUXMWIDNOCFFC-UPVQGACJSA-N 1 1 480.613 3.988 40 0 JHABMO CC[C@@H](c1nnnn1CCOC)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064757 556262892 /nfs/dbraw/zinc/26/28/92/556262892.db2.gz QJUUSWSWWGHYNW-VWLOTQADSA-N 1 1 474.609 3.974 40 0 JHABMO CC[C@@H](c1nnnn1CCOC)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064757 556262894 /nfs/dbraw/zinc/26/28/94/556262894.db2.gz QJUUSWSWWGHYNW-VWLOTQADSA-N 1 1 474.609 3.974 40 0 JHABMO 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COc1cccc(-c2cccc3c([C@@H]4CN(S(=O)(=O)c5cccs5)CCO4)[nH+]cn32)c1 ZINC000096155866 569736692 /nfs/dbraw/zinc/73/66/92/569736692.db2.gz FMMVWPIUOLRETM-FQEVSTJZSA-N 1 1 455.561 3.834 40 0 JHABMO O=C(NCc1ccc(CN2CCOCC2)cc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038831393 569808656 /nfs/dbraw/zinc/80/86/56/569808656.db2.gz QGQIMCINZIFBMD-UHFFFAOYSA-N 1 1 486.454 3.810 40 0 JHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 ZINC000216456861 569878965 /nfs/dbraw/zinc/87/89/65/569878965.db2.gz MJIRQRBGNUYJCJ-UHFFFAOYSA-N 1 1 466.607 3.984 40 0 JHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223338097 569907974 /nfs/dbraw/zinc/90/79/74/569907974.db2.gz KAONOTUQKODRJB-LJQANCHMSA-N 1 1 458.068 3.965 40 0 JHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)C1 ZINC000224395991 569943151 /nfs/dbraw/zinc/94/31/51/569943151.db2.gz KYKYBUFSFARFHP-QFIPXVFZSA-N 1 1 499.677 3.902 40 0 JHABMO 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ZINC000226050310 570034363 /nfs/dbraw/zinc/03/43/63/570034363.db2.gz HQOCIYDACJSJFF-UHFFFAOYSA-N 1 1 481.405 3.532 40 0 JHABMO O=C(c1ccccc1Cn1ccnc1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2cnccn2)C1 ZINC000257216269 570112965 /nfs/dbraw/zinc/11/29/65/570112965.db2.gz CTUHTMZWQDYKIA-XMMPIXPASA-N 1 1 466.589 3.538 40 0 JHABMO COc1cccc(-c2cccc(CC3(C(=O)NCCC[NH+]4CCOCC4)CCOCC3)c2)c1 ZINC000257219648 570114040 /nfs/dbraw/zinc/11/40/40/570114040.db2.gz DHONCFBACPIIOC-UHFFFAOYSA-N 1 1 452.595 3.540 40 0 JHABMO Cc1n[nH]cc1CN1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257222879 570114902 /nfs/dbraw/zinc/11/49/02/570114902.db2.gz DUYRWAFMBYNSPF-DEOSSOPVSA-N 1 1 461.006 3.590 40 0 JHABMO Cc1ncccc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257237409 570119363 /nfs/dbraw/zinc/11/93/63/570119363.db2.gz HGIKKOZSKOKSPM-UHFFFAOYSA-N 1 1 485.028 3.509 40 0 JHABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000257244317 570121350 /nfs/dbraw/zinc/12/13/50/570121350.db2.gz IKTRYEUAEYKGHE-AREMUKBSSA-N 1 1 470.013 3.806 40 0 JHABMO COc1cc(C[N@@H+](CCO)C[C@@H](O)CN2c3ccccc3Sc3ccccc32)ccc1OCCO ZINC000257248333 570122763 /nfs/dbraw/zinc/12/27/63/570122763.db2.gz JDEHVVDARHFVHT-OAQYLSRUSA-N 1 1 496.629 3.524 40 0 JHABMO COc1ccccc1N1CCC(O)(C[N@@H+]2[C@@H](Cc3ccccc3F)C[C@H]3NC(=O)CCCC[C@@H]32)CC1 ZINC000257263783 570127518 /nfs/dbraw/zinc/12/75/18/570127518.db2.gz LRLHKICACQFZSD-CAOCKLPOSA-N 1 1 495.639 3.910 40 0 JHABMO COc1ccccc1N1CCC(O)(C[N@H+]2[C@@H](Cc3ccccc3F)C[C@H]3NC(=O)CCCC[C@@H]32)CC1 ZINC000257263783 570127520 /nfs/dbraw/zinc/12/75/20/570127520.db2.gz LRLHKICACQFZSD-CAOCKLPOSA-N 1 1 495.639 3.910 40 0 JHABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2CC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000257279754 570132725 /nfs/dbraw/zinc/13/27/25/570132725.db2.gz OIAYTFKWLWNDQS-KJOQGJGQSA-N 1 1 451.567 3.825 40 0 JHABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2CC(=O)Nc2cc(C)ccc2OC)cc1 ZINC000257279754 570132726 /nfs/dbraw/zinc/13/27/26/570132726.db2.gz OIAYTFKWLWNDQS-KJOQGJGQSA-N 1 1 451.567 3.825 40 0 JHABMO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2ccc3cc[nH]c3c2)CCO1)N1CCOCC1 ZINC000257283288 570133584 /nfs/dbraw/zinc/13/35/84/570133584.db2.gz OXQZKBNKLLDKHF-AREMUKBSSA-N 1 1 483.996 3.720 40 0 JHABMO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2ccc3cc[nH]c3c2)CCO1)N1CCOCC1 ZINC000257283288 570133585 /nfs/dbraw/zinc/13/35/85/570133585.db2.gz OXQZKBNKLLDKHF-AREMUKBSSA-N 1 1 483.996 3.720 40 0 JHABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C[C@@H]3CCCN(C(=O)C4CCCCC4)CC3)n2)n[nH]1 ZINC000257282951 570133592 /nfs/dbraw/zinc/13/35/92/570133592.db2.gz OWAPRCUETAWCEC-OAQYLSRUSA-N 1 1 494.688 3.755 40 0 JHABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccc(CNC(=O)c3ccccc3)cc2)cc1 ZINC000257284477 570133937 /nfs/dbraw/zinc/13/39/37/570133937.db2.gz PCWAACRRHHODGE-SVBPBHIXSA-N 1 1 471.601 3.629 40 0 JHABMO Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCCN(Cc3nccs3)C2)ccc1Cl ZINC000257298797 570138046 /nfs/dbraw/zinc/13/80/46/570138046.db2.gz RNHXRKOULFAYKS-DEOSSOPVSA-N 1 1 477.074 3.930 40 0 JHABMO O=C(CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1)Nc1nc2ccc(Cl)cc2s1 ZINC000257326366 570146445 /nfs/dbraw/zinc/14/64/45/570146445.db2.gz WWYVJZKBPFOXRK-URXFXBBRSA-N 1 1 471.026 3.990 40 0 JHABMO Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000257330031 570147519 /nfs/dbraw/zinc/14/75/19/570147519.db2.gz XMMJFWGDLSFCPJ-RBJSKKJNSA-N 1 1 471.605 3.625 40 0 JHABMO Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000257330031 570147521 /nfs/dbraw/zinc/14/75/21/570147521.db2.gz XMMJFWGDLSFCPJ-RBJSKKJNSA-N 1 1 471.605 3.625 40 0 JHABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000257340449 570150552 /nfs/dbraw/zinc/15/05/52/570150552.db2.gz ZGEWVCIGGPWPKR-UHFFFAOYSA-N 1 1 488.003 3.945 40 0 JHABMO O=C(NC[C@H]1CC[C@]2(COCC[N@H+](Cc3ccncc3)C2)O1)c1ccc(Cl)c(Cl)c1 ZINC000306133733 570178399 /nfs/dbraw/zinc/17/83/99/570178399.db2.gz MTXOYLVODSOQSD-GCJKJVERSA-N 1 1 450.366 3.568 40 0 JHABMO O=C(NC[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccncc3)C2)O1)c1ccc(Cl)c(Cl)c1 ZINC000306133733 570178400 /nfs/dbraw/zinc/17/84/00/570178400.db2.gz MTXOYLVODSOQSD-GCJKJVERSA-N 1 1 450.366 3.568 40 0 JHABMO