smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(F)Oc1ccc(C[NH2+]C2(Cc3cc(-c4ccccn4)on3)COC2)cc1 ZINC000067898239 291258207 /nfs/dbraw/zinc/25/82/07/291258207.db2.gz ZXWMRIGRXFOPHX-UHFFFAOYSA-N 1 1 405.376 3.737 40 0 biogenic,in-vitro HHABMO COc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3ncccc3C)CC2)cc1 ZINC000012089620 132353928 /nfs/dbraw/zinc/35/39/28/132353928.db2.gz ORHQFMPWZLGNMP-VWLOTQADSA-N 1 1 421.516 3.942 40 0 HHABMO COc1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(OC)c1OC ZINC000044882876 524066407 /nfs/dbraw/zinc/06/64/07/524066407.db2.gz XQJOWYNARHYRON-QGZVFWFLSA-N 1 1 412.530 3.874 40 0 HHABMO CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000035876652 557829535 /nfs/dbraw/zinc/82/95/35/557829535.db2.gz AGLNKEZIHIEECV-MQNAVGNWSA-N 1 1 407.558 3.994 40 0 HHABMO Cc1[nH+]ccn1CCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2nccs2)n1 ZINC000012087725 558322649 /nfs/dbraw/zinc/32/26/49/558322649.db2.gz GNGULBFTNQYCBM-UHFFFAOYSA-N 1 1 406.471 3.613 40 0 HHABMO COc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCn2cc[nH+]c2C(C)C)cc1 ZINC000012145671 558336907 /nfs/dbraw/zinc/33/69/07/558336907.db2.gz GEFHOWGCAKNDRW-FQEVSTJZSA-N 1 1 407.518 3.785 40 0 HHABMO COc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCn2cc[nH+]c2C(C)C)cc1 ZINC000012145672 558336952 /nfs/dbraw/zinc/33/69/52/558336952.db2.gz GEFHOWGCAKNDRW-HXUWFJFHSA-N 1 1 407.518 3.785 40 0 HHABMO C[C@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000012182155 558343221 /nfs/dbraw/zinc/34/32/21/558343221.db2.gz VVOUDYGERREZBV-ICSRJNTNSA-N 1 1 418.541 3.556 40 0 HHABMO COc1ccc(CCC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000020248424 558351537 /nfs/dbraw/zinc/35/15/37/558351537.db2.gz VQDFGASYISOMOX-JOCHJYFZSA-N 1 1 410.489 3.811 40 0 HHABMO CC(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cc1 ZINC000012220483 558355510 /nfs/dbraw/zinc/35/55/10/558355510.db2.gz TYPZTUAFZBPTFC-OFFJZUQKSA-N 1 1 407.558 3.802 40 0 HHABMO CC(=O)Nc1nc(C(=O)Nc2ccc(CC[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)cs1 ZINC000012241252 558360413 /nfs/dbraw/zinc/36/04/13/558360413.db2.gz ZTFICEHYFQIFFE-YOEHRIQHSA-N 1 1 400.548 3.874 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)cc1Cn1cccn1 ZINC000012251857 558362504 /nfs/dbraw/zinc/36/25/04/558362504.db2.gz IXPSJKBAGQGLFI-XMMPIXPASA-N 1 1 409.505 3.953 40 0 HHABMO COc1cc(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)c(Cl)cc1O ZINC000012344430 558386499 /nfs/dbraw/zinc/38/64/99/558386499.db2.gz JFNYBSFOGHRCRI-UHFFFAOYSA-N 1 1 406.885 3.821 40 0 HHABMO O=C(C1CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014786 558836804 /nfs/dbraw/zinc/83/68/04/558836804.db2.gz SDZPFXKSEVZQKX-NRFANRHFSA-N 1 1 412.578 3.562 40 0 HHABMO COc1ccccc1C(=O)N1CC[NH+](Cc2c3cccnc3[nH]c2C(C)(C)C)CC1 ZINC000019083459 558840567 /nfs/dbraw/zinc/84/05/67/558840567.db2.gz FIXGUGNOFRZSQH-UHFFFAOYSA-N 1 1 406.530 3.827 40 0 HHABMO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276323 558842003 /nfs/dbraw/zinc/84/20/03/558842003.db2.gz CCIUJYJSKYDVCU-MRXNPFEDSA-N 1 1 404.963 3.969 40 0 HHABMO Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)C[N@@H+]3CCCC[C@H]3C)cc2)on1 ZINC000019123871 558844219 /nfs/dbraw/zinc/84/42/19/558844219.db2.gz SYYSUKNHAGFQOR-QGZVFWFLSA-N 1 1 419.529 3.906 40 0 HHABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000019236849 558856022 /nfs/dbraw/zinc/85/60/22/558856022.db2.gz AHTVFMABRZJUCG-OFNKIYASSA-N 1 1 403.530 3.507 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000019400595 558883196 /nfs/dbraw/zinc/88/31/96/558883196.db2.gz HOILGRASXBMNSQ-WMZHIEFXSA-N 1 1 404.489 3.999 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000019400593 558883229 /nfs/dbraw/zinc/88/32/29/558883229.db2.gz HOILGRASXBMNSQ-AUSIDOKSSA-N 1 1 404.489 3.999 40 0 HHABMO O=C(c1ccccn1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]21 ZINC000019401843 558883845 /nfs/dbraw/zinc/88/38/45/558883845.db2.gz QIMIYVCLJKQESC-CQOQZXRMSA-N 1 1 416.500 3.746 40 0 HHABMO CCCN1CC[N@@H+](CC2=CCCOC2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502823 558900084 /nfs/dbraw/zinc/90/00/84/558900084.db2.gz LAXYPKJJKOTZIL-RUZDIDTESA-N 1 1 419.569 3.808 40 0 HHABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000019530041 558911208 /nfs/dbraw/zinc/91/12/08/558911208.db2.gz ORMQXLNTCVDJJK-YADARESESA-N 1 1 412.530 3.874 40 0 HHABMO COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000019553970 558916980 /nfs/dbraw/zinc/91/69/80/558916980.db2.gz JAKOLGSQPJGUKP-RPWUZVMVSA-N 1 1 416.525 3.730 40 0 HHABMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](c2cc(C(=O)N3CCC(C)CC3)on2)C1 ZINC000019554943 558917958 /nfs/dbraw/zinc/91/79/58/558917958.db2.gz GTAWQKXIXHSXNX-IBGZPJMESA-N 1 1 421.545 3.882 40 0 HHABMO Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C(C)C)C2 ZINC000019566142 558925898 /nfs/dbraw/zinc/92/58/98/558925898.db2.gz JWLJACTWYDNKSJ-LJQANCHMSA-N 1 1 420.513 3.981 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019579583 558935175 /nfs/dbraw/zinc/93/51/75/558935175.db2.gz XXOGYSOIYFLBDU-XMMPIXPASA-N 1 1 404.514 3.650 40 0 HHABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000019591721 558942393 /nfs/dbraw/zinc/94/23/93/558942393.db2.gz IJKMWFVYSOHXAA-SANMLTNESA-N 1 1 415.537 3.938 40 0 HHABMO COCC[N@H+]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000019593390 558944380 /nfs/dbraw/zinc/94/43/80/558944380.db2.gz UGTHWAVUURTEBN-QFIPXVFZSA-N 1 1 412.505 3.520 40 0 HHABMO COCCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)cc1 ZINC000019593714 558944781 /nfs/dbraw/zinc/94/47/81/558944781.db2.gz CUSHBVMKFQNDLK-JOCHJYFZSA-N 1 1 420.513 3.584 40 0 HHABMO COc1cc(C)ccc1C[N@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000072352275 558948537 /nfs/dbraw/zinc/94/85/37/558948537.db2.gz RBPNYYWIGWMTDD-GOSISDBHSA-N 1 1 424.566 3.930 40 0 HHABMO Cc1cc(N2CC[C@@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)nc(C)[nH+]1 ZINC000072352437 558948692 /nfs/dbraw/zinc/94/86/92/558948692.db2.gz DBDRLEPNHOVSCN-QGZVFWFLSA-N 1 1 422.554 3.774 40 0 HHABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371740 558959019 /nfs/dbraw/zinc/95/90/19/558959019.db2.gz USRYCXSWCIIBBN-QGZVFWFLSA-N 1 1 409.509 3.621 40 0 HHABMO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371740 558959022 /nfs/dbraw/zinc/95/90/22/558959022.db2.gz USRYCXSWCIIBBN-QGZVFWFLSA-N 1 1 409.509 3.621 40 0 HHABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371740 558959025 /nfs/dbraw/zinc/95/90/25/558959025.db2.gz USRYCXSWCIIBBN-QGZVFWFLSA-N 1 1 409.509 3.621 40 0 HHABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 ZINC000019690027 558959378 /nfs/dbraw/zinc/95/93/78/558959378.db2.gz PEJWTWSITMMWMI-FQEVSTJZSA-N 1 1 422.508 3.607 40 0 HHABMO CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000019693998 558962135 /nfs/dbraw/zinc/96/21/35/558962135.db2.gz ODOICZYKAFXCKB-SFHVURJKSA-N 1 1 410.953 3.976 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cn1 ZINC000019694184 558962502 /nfs/dbraw/zinc/96/25/02/558962502.db2.gz AGZWOUUGVQGDPB-IBGZPJMESA-N 1 1 408.525 3.945 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cn1 ZINC000019694181 558962543 /nfs/dbraw/zinc/96/25/43/558962543.db2.gz RMAUSSNIWSGQKT-LJQANCHMSA-N 1 1 408.525 3.945 40 0 HHABMO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCC[N@H+]2Cc2cnn(C)c2C)cc1 ZINC000019694319 558962640 /nfs/dbraw/zinc/96/26/40/558962640.db2.gz YCUIMFJHONWQLZ-QFIPXVFZSA-N 1 1 420.561 3.987 40 0 HHABMO CN(CCO)C(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](CCc2ccccc2)CCO1 ZINC000019697569 558965251 /nfs/dbraw/zinc/96/52/51/558965251.db2.gz URXYYTYKBQNRFE-FQEVSTJZSA-N 1 1 424.566 3.582 40 0 HHABMO CN(CCO)C(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC000019697569 558965253 /nfs/dbraw/zinc/96/52/53/558965253.db2.gz URXYYTYKBQNRFE-FQEVSTJZSA-N 1 1 424.566 3.582 40 0 HHABMO Cc1nc([C@@H]2CCC[N@H+](C3CCOCC3)C2)nc2c1CCCN2CCc1ccccn1 ZINC000019706624 558968950 /nfs/dbraw/zinc/96/89/50/558968950.db2.gz VCTGOWXLGHTHOE-HXUWFJFHSA-N 1 1 421.589 3.534 40 0 HHABMO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@@H+]2Cc2cccc3ncccc23)n1 ZINC000019709754 558971691 /nfs/dbraw/zinc/97/16/91/558971691.db2.gz PWFLKBSXAOUAOU-JOCHJYFZSA-N 1 1 418.545 3.772 40 0 HHABMO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@H+]2Cc2cccc3ncccc23)n1 ZINC000019709754 558971694 /nfs/dbraw/zinc/97/16/94/558971694.db2.gz PWFLKBSXAOUAOU-JOCHJYFZSA-N 1 1 418.545 3.772 40 0 HHABMO Cc1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000019715764 558976958 /nfs/dbraw/zinc/97/69/58/558976958.db2.gz ZQVSMLUCAVAKQL-QGZVFWFLSA-N 1 1 411.575 3.554 40 0 HHABMO Cc1[nH+]c2cc3c(cc2n1CC(=O)Nc1cc(-c2csnn2)ccc1C)OCCO3 ZINC000019718253 558981460 /nfs/dbraw/zinc/98/14/60/558981460.db2.gz MFUFBPYCAPQOGC-UHFFFAOYSA-N 1 1 421.482 3.582 40 0 HHABMO CC(C)c1nc2ccccc2n1[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019718192 558981492 /nfs/dbraw/zinc/98/14/92/558981492.db2.gz PJAXOLAVIFISJR-IBGZPJMESA-N 1 1 405.546 3.850 40 0 HHABMO CC(C)c1nc2ccccc2n1[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019718192 558981494 /nfs/dbraw/zinc/98/14/94/558981494.db2.gz PJAXOLAVIFISJR-IBGZPJMESA-N 1 1 405.546 3.850 40 0 HHABMO Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C23CCCCC3)c(=O)n1C ZINC000257318216 559011510 /nfs/dbraw/zinc/01/15/10/559011510.db2.gz VMZYEXNXNJASOJ-FYYLOGMGSA-N 1 1 419.569 3.601 40 0 HHABMO CC(C)(C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101962 559025072 /nfs/dbraw/zinc/02/50/72/559025072.db2.gz KZSGGDKKUFQAMO-QFIPXVFZSA-N 1 1 424.589 3.653 40 0 HHABMO COc1cccc(-c2cccc3c([C@H]4CN(Cc5cc(C)on5)CCO4)[nH+]cn32)c1 ZINC000096155879 559099929 /nfs/dbraw/zinc/09/99/29/559099929.db2.gz ZKTYZZMBJCRHEF-JOCHJYFZSA-N 1 1 404.470 3.880 40 0 HHABMO O=S(=O)(c1ccccc1)N1CCC2(C[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000096202412 559101195 /nfs/dbraw/zinc/10/11/95/559101195.db2.gz NAZWOFHRNHZDCT-UHFFFAOYSA-N 1 1 410.461 3.602 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@]3(CN(CCc4ccccc4)C(=O)CO3)CC2)cc1 ZINC000257314407 559282820 /nfs/dbraw/zinc/28/28/20/559282820.db2.gz UWVAKQPUGVTKAB-VWLOTQADSA-N 1 1 408.542 3.521 40 0 HHABMO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257249290 559284369 /nfs/dbraw/zinc/28/43/69/559284369.db2.gz JHODZLPUKPQMLW-NOZRDPDXSA-N 1 1 424.541 3.782 40 0 HHABMO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257249290 559284372 /nfs/dbraw/zinc/28/43/72/559284372.db2.gz JHODZLPUKPQMLW-NOZRDPDXSA-N 1 1 424.541 3.782 40 0 HHABMO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(n2nnc3cc(F)ccc32)CC1 ZINC000004399701 560606624 /nfs/dbraw/zinc/60/66/24/560606624.db2.gz FDWUFEOTUJQSFX-UHFFFAOYSA-N 1 1 417.872 3.508 40 0 HHABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2Cl)CC1 ZINC000017093499 560868175 /nfs/dbraw/zinc/86/81/75/560868175.db2.gz NXBRURXPAWUGSK-UHFFFAOYSA-N 1 1 423.369 3.872 40 0 HHABMO CC(C)C[C@@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020140919 560881453 /nfs/dbraw/zinc/88/14/53/560881453.db2.gz KZURTPCOFOLUPT-QHCPKHFHSA-N 1 1 404.562 3.626 40 0 HHABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000055146156 568456774 /nfs/dbraw/zinc/45/67/74/568456774.db2.gz GKSKIJYHTJYXAE-WWNPGLIZSA-N 1 1 419.569 3.936 40 0 HHABMO CCC[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000020759877 568458033 /nfs/dbraw/zinc/45/80/33/568458033.db2.gz OTLQDACCISUDRE-UHFFFAOYSA-N 1 1 415.346 3.690 40 0 HHABMO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(C)c2OC)C1 ZINC000057774144 568497343 /nfs/dbraw/zinc/49/73/43/568497343.db2.gz KWNXCXWEGLHDPT-CVDCTZTESA-N 1 1 411.546 3.505 40 0 HHABMO O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000225278314 568627557 /nfs/dbraw/zinc/62/75/57/568627557.db2.gz RSQTYRNRDQDHSS-MSOLQXFVSA-N 1 1 400.906 3.508 40 0 HHABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(OC)c(OCC)c3)[nH]2)cc1OCC ZINC000095534629 568635582 /nfs/dbraw/zinc/63/55/82/568635582.db2.gz QOBCPRLQXNYSAW-HXUWFJFHSA-N 1 1 412.490 3.725 40 0 HHABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(OCC)c(OCC)c3)[nH]2)cc1OC ZINC000095534345 568635845 /nfs/dbraw/zinc/63/58/45/568635845.db2.gz JOJHKVADOTYWJW-FQEVSTJZSA-N 1 1 412.490 3.725 40 0 HHABMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2OC)o1 ZINC000257223760 568783211 /nfs/dbraw/zinc/78/32/11/568783211.db2.gz DYRWTZHTWUDLPP-LJQANCHMSA-N 1 1 408.502 3.787 40 0 HHABMO CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CC[C@@H]3Oc3cccnc3)C2)c(OCC(N)=O)c1 ZINC000257247118 568789488 /nfs/dbraw/zinc/78/94/88/568789488.db2.gz IXOQYUHJFPJEHF-WTNAPCKOSA-N 1 1 423.557 3.533 40 0 HHABMO CN(C)c1ncccc1C[N@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F ZINC000257251205 568790746 /nfs/dbraw/zinc/79/07/46/568790746.db2.gz JPVUWIKEAGVDPM-YADHBBJMSA-N 1 1 410.537 3.832 40 0 HHABMO Cc1cc(C[N@@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)c(C)s1 ZINC000257275763 568797451 /nfs/dbraw/zinc/79/74/51/568797451.db2.gz NQTZMFXGMQHXAK-FQEVSTJZSA-N 1 1 408.951 3.544 40 0 HHABMO Cc1cc(C[N@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)c(C)s1 ZINC000257275763 568797452 /nfs/dbraw/zinc/79/74/52/568797452.db2.gz NQTZMFXGMQHXAK-FQEVSTJZSA-N 1 1 408.951 3.544 40 0 HHABMO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000257303602 568805403 /nfs/dbraw/zinc/80/54/03/568805403.db2.gz SHWZFZWBKZYVEX-VWLOTQADSA-N 1 1 406.574 3.694 40 0 HHABMO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@@H+](CC2CC2)CCO1)N1CCCCC1 ZINC000257329955 568812976 /nfs/dbraw/zinc/81/29/76/568812976.db2.gz XMELQYUFJXBFJU-QFIPXVFZSA-N 1 1 406.954 3.602 40 0 HHABMO Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)[nH]c(=O)n1 ZINC000257333946 568814207 /nfs/dbraw/zinc/81/42/07/568814207.db2.gz YDUGFOPLWIWUNL-YLYPHGCXSA-N 1 1 420.557 3.579 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccc(OC)cc4)C[C@H]32)cc1 ZINC000306135212 568897274 /nfs/dbraw/zinc/89/72/74/568897274.db2.gz OLCAVNMLPFVOLQ-BJKOFHAPSA-N 1 1 417.509 3.587 40 0 HHABMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)CO[C@@H]1C[C@H]3CC[C@]1(C)C3(C)C)CC2 ZINC000035052921 569027812 /nfs/dbraw/zinc/02/78/12/569027812.db2.gz DHFDBTZMHIWGFB-FSNSLZAISA-N 1 1 403.563 3.654 40 0 HHABMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000027531071 569047412 /nfs/dbraw/zinc/04/74/12/569047412.db2.gz WZAIYJULKDBJGU-NRFANRHFSA-N 1 1 412.574 3.550 40 0 HHABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000252514952 569387911 /nfs/dbraw/zinc/38/79/11/569387911.db2.gz FKLTWXJGNBZJDA-KURKYZTESA-N 1 1 400.327 3.667 40 0 HHABMO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000019703461 569428697 /nfs/dbraw/zinc/42/86/97/569428697.db2.gz ZGZUUGKLGZFBOA-XMMPIXPASA-N 1 1 405.498 3.531 40 0 HHABMO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN21 ZINC000253394095 291248404 /nfs/dbraw/zinc/24/84/04/291248404.db2.gz ADKRMLNCSXIJGY-NRFANRHFSA-N 1 1 415.940 3.900 40 0 biogenic,in-vitro HHABMO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN21 ZINC000253394095 291248405 /nfs/dbraw/zinc/24/84/05/291248405.db2.gz ADKRMLNCSXIJGY-NRFANRHFSA-N 1 1 415.940 3.900 40 0 biogenic,in-vitro HHABMO O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2nc[nH]c2CN1Cc1ccc(Cl)cc1 ZINC000015676383 291258950 /nfs/dbraw/zinc/25/89/50/291258950.db2.gz QMXYJXNVOIPGHS-FQEVSTJZSA-N 1 1 415.324 3.960 40 0 biogenic,in-vitro HHABMO COc1ccc(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1OC ZINC000044851732 523937373 /nfs/dbraw/zinc/93/73/73/523937373.db2.gz WAEAEXDVFYBTCS-FQEVSTJZSA-N 1 1 414.521 3.804 40 0 HHABMO Cc1nc([C@@H]2CCC[N@H+](C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741470 558262061 /nfs/dbraw/zinc/26/20/61/558262061.db2.gz TWUCEDVRXMSFBR-HXUWFJFHSA-N 1 1 420.557 3.623 40 0 HHABMO COc1ccc(/C=C/C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c(OC)c1OC ZINC000020451039 558365482 /nfs/dbraw/zinc/36/54/82/558365482.db2.gz UAEXRPDMICYODQ-XYOKQWHBSA-N 1 1 407.470 3.536 40 0 HHABMO Cc1c(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000022513238 558493295 /nfs/dbraw/zinc/49/32/95/558493295.db2.gz XAYBIOIJIMTQSN-GOSISDBHSA-N 1 1 418.541 3.969 40 0 HHABMO COCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000030757053 558737374 /nfs/dbraw/zinc/73/73/74/558737374.db2.gz JPTRRVKTJKPJTK-GOSISDBHSA-N 1 1 409.530 3.547 40 0 HHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccccc1I ZINC000038755646 558814534 /nfs/dbraw/zinc/81/45/34/558814534.db2.gz RAOADSMGNNCDCH-UHFFFAOYSA-N 1 1 417.250 3.715 40 0 HHABMO O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000048245665 558843582 /nfs/dbraw/zinc/84/35/82/558843582.db2.gz RJGOHJWGTNEHKG-UHFFFAOYSA-N 1 1 402.922 3.648 40 0 HHABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000019236850 558856063 /nfs/dbraw/zinc/85/60/63/558856063.db2.gz AHTVFMABRZJUCG-NFBKMPQASA-N 1 1 403.530 3.507 40 0 HHABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)no1)N1CCC(O)CC1 ZINC000019376375 558882283 /nfs/dbraw/zinc/88/22/83/558882283.db2.gz QHSCLKQYAGUKNC-HXUWFJFHSA-N 1 1 419.525 3.804 40 0 HHABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC000019404198 558884496 /nfs/dbraw/zinc/88/44/96/558884496.db2.gz RBEAAYGPVFBBQC-JOCHJYFZSA-N 1 1 422.577 3.570 40 0 HHABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CCCC4)[nH]c(=O)c3C2)CC1 ZINC000019495979 558894837 /nfs/dbraw/zinc/89/48/37/558894837.db2.gz LAELFFWKGYWQAK-IAYYMHMVSA-N 1 1 412.578 3.973 40 0 HHABMO C[C@H]1CCC[N@@H+](CC(C)(C)NC(=O)CCc2nc(-c3ccccc3Cl)no2)C1 ZINC000019496531 558895435 /nfs/dbraw/zinc/89/54/35/558895435.db2.gz IXPMSVUHBBRVMQ-HNNXBMFYSA-N 1 1 404.942 3.949 40 0 HHABMO CCOc1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)ccc1OC ZINC000019532001 558912129 /nfs/dbraw/zinc/91/21/29/558912129.db2.gz JWOGARHTJPRIHV-GOSISDBHSA-N 1 1 420.513 3.619 40 0 HHABMO Cc1cc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1Cl ZINC000058459358 558927999 /nfs/dbraw/zinc/92/79/99/558927999.db2.gz GPUSSALSOCGTKK-QGZVFWFLSA-N 1 1 402.922 3.564 40 0 HHABMO COc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019570259 558929184 /nfs/dbraw/zinc/92/91/84/558929184.db2.gz PTBDGPUDWKZEIR-IBGZPJMESA-N 1 1 418.545 3.855 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)[C@@H]1CCCO1 ZINC000072330603 558935017 /nfs/dbraw/zinc/93/50/17/558935017.db2.gz DWHQBTCVRJYDIW-HSQYWUDLSA-N 1 1 415.484 3.608 40 0 HHABMO COC(=O)[C@@]1(Cc2ccc(F)cc2)C(=O)C[C@@H]2CC[C@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072340202 558939096 /nfs/dbraw/zinc/93/90/96/558939096.db2.gz QAMFXTJNMONMBY-XZDHIHRUSA-N 1 1 411.473 3.542 40 0 HHABMO COc1cccc(-c2cccc(C[C@H]3C[N@@H+](Cc4ccccn4)CCN(C)C3=O)c2)c1 ZINC000019589526 558940382 /nfs/dbraw/zinc/94/03/82/558940382.db2.gz QPTOLQOGADEFDQ-QHCPKHFHSA-N 1 1 415.537 3.890 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019591326 558941610 /nfs/dbraw/zinc/94/16/10/558941610.db2.gz PSIMKAZXKCTVEU-RUZDIDTESA-N 1 1 400.526 3.715 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019591320 558941729 /nfs/dbraw/zinc/94/17/29/558941729.db2.gz UNDYSUJQPKFDHG-RUZDIDTESA-N 1 1 400.526 3.715 40 0 HHABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000072345940 558942530 /nfs/dbraw/zinc/94/25/30/558942530.db2.gz MJRWIJIBBXWLRO-GOSISDBHSA-N 1 1 421.932 3.858 40 0 HHABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2nc(N)ncc2-c2ccc(OC)cc2)C1 ZINC000072346227 558943153 /nfs/dbraw/zinc/94/31/53/558943153.db2.gz BJMGYICUKMKQMB-QGZVFWFLSA-N 1 1 404.518 3.551 40 0 HHABMO COCCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 ZINC000019593716 558944844 /nfs/dbraw/zinc/94/48/44/558944844.db2.gz SUGUWEZSWKJAPL-JOCHJYFZSA-N 1 1 420.513 3.584 40 0 HHABMO COc1cc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc(OC)c1 ZINC000019595113 558945918 /nfs/dbraw/zinc/94/59/18/558945918.db2.gz ZGNKBNHSRXZXBF-NRFANRHFSA-N 1 1 406.486 3.989 40 0 HHABMO COc1cc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc(OC)c1 ZINC000019595113 558945919 /nfs/dbraw/zinc/94/59/19/558945919.db2.gz ZGNKBNHSRXZXBF-NRFANRHFSA-N 1 1 406.486 3.989 40 0 HHABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349538 558946392 /nfs/dbraw/zinc/94/63/92/558946392.db2.gz AIGPKPPMYRDKBQ-QGZVFWFLSA-N 1 1 405.464 3.959 40 0 HHABMO COc1ccccc1C[C@H](C)Nc1cc(Cn2c(C)nc3ccccc32)[nH+]c(N)n1 ZINC000019655493 558948838 /nfs/dbraw/zinc/94/88/38/558948838.db2.gz QPMPLVHIPWTPSI-HNNXBMFYSA-N 1 1 402.502 3.817 40 0 HHABMO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1ncc[nH]1 ZINC000072370424 558956857 /nfs/dbraw/zinc/95/68/57/558956857.db2.gz NGCHLIUTRHCBJL-MRXNPFEDSA-N 1 1 412.559 3.598 40 0 HHABMO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1ncc[nH]1 ZINC000072370424 558956858 /nfs/dbraw/zinc/95/68/58/558956858.db2.gz NGCHLIUTRHCBJL-MRXNPFEDSA-N 1 1 412.559 3.598 40 0 HHABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2cc(Cc3ccc(C)cc3)cc(C)n2)CC1 ZINC000019687091 558957159 /nfs/dbraw/zinc/95/71/59/558957159.db2.gz IMVKIHITLGRXGG-FQEVSTJZSA-N 1 1 409.574 3.620 40 0 HHABMO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@H+](C)C4CCCC4)nc32)c1 ZINC000072371033 558957475 /nfs/dbraw/zinc/95/74/75/558957475.db2.gz NWPBKBMOIOPEHZ-UHFFFAOYSA-N 1 1 408.546 3.690 40 0 HHABMO COc1cccc(CCN2C(=O)CCc3c(C)nc(C[N@@H+](C)C4CCCC4)nc32)c1 ZINC000072371033 558957477 /nfs/dbraw/zinc/95/74/77/558957477.db2.gz NWPBKBMOIOPEHZ-UHFFFAOYSA-N 1 1 408.546 3.690 40 0 HHABMO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+]2Cc2cnn(C)c2C)c1 ZINC000019689389 558958838 /nfs/dbraw/zinc/95/88/38/558958838.db2.gz YEKJPXODTJBOAL-OAQYLSRUSA-N 1 1 406.534 3.597 40 0 HHABMO Cc1n[nH]c(C)c1NC(=O)C1(Cc2cccc([C@H]3CCC[N@H+](C)C3)c2)CCOCC1 ZINC000072372222 558959531 /nfs/dbraw/zinc/95/95/31/558959531.db2.gz DPEORFFOLFOGAN-NRFANRHFSA-N 1 1 410.562 3.814 40 0 HHABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000019690423 558959890 /nfs/dbraw/zinc/95/98/90/558959890.db2.gz XGGFPANHQXMCFT-OAQYLSRUSA-N 1 1 419.504 3.785 40 0 HHABMO CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@@H+](C)C2CCCCC2)n1 ZINC000019697387 558964971 /nfs/dbraw/zinc/96/49/71/558964971.db2.gz QCRCJXOBEOOFBV-INIZCTEOSA-N 1 1 411.525 3.942 40 0 HHABMO COc1ccc2c(c1)c([C@@H]1C[N@H+](Cc3cc(OC)ccc3OC)C[C@H]1N(C)C)cn2C ZINC000072395537 558974386 /nfs/dbraw/zinc/97/43/86/558974386.db2.gz FASJGVPMNFHIGU-LADGPHEKSA-N 1 1 423.557 3.734 40 0 HHABMO COc1ccc2c(c1)c([C@@H]1C[N@@H+](Cc3cc(OC)ccc3OC)C[C@H]1N(C)C)cn2C ZINC000072395537 558974389 /nfs/dbraw/zinc/97/43/89/558974389.db2.gz FASJGVPMNFHIGU-LADGPHEKSA-N 1 1 423.557 3.734 40 0 HHABMO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](C2CCOCC2)C1 ZINC000072396051 558975037 /nfs/dbraw/zinc/97/50/37/558975037.db2.gz YXFFDRQQJKHDIR-XMMPIXPASA-N 1 1 411.546 3.590 40 0 HHABMO COc1cccc(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCOc2ccccc2)C3)c1 ZINC000096216388 559101887 /nfs/dbraw/zinc/10/18/87/559101887.db2.gz WSRKGCKPOPOUEV-VWLOTQADSA-N 1 1 408.542 3.631 40 0 HHABMO CN1C(=O)CCC[C@]12C[N@@H+](CCOc1ccc(F)cc1)C[C@H]2c1ccc(F)cc1 ZINC000585261801 559109354 /nfs/dbraw/zinc/10/93/54/559109354.db2.gz NSRULKCRGHIRBW-JTHBVZDNSA-N 1 1 400.469 3.824 40 0 HHABMO C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000585261805 559109465 /nfs/dbraw/zinc/10/94/65/559109465.db2.gz NCGPEEREHPHNLZ-DEOSSOPVSA-N 1 1 410.533 3.733 40 0 HHABMO Cc1ccc(NC(=O)C[N@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cc1F ZINC000585262208 559110520 /nfs/dbraw/zinc/11/05/20/559110520.db2.gz XPZBEFXINPZTNO-KJWPAHLWSA-N 1 1 423.532 3.817 40 0 HHABMO COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000585262498 559111011 /nfs/dbraw/zinc/11/10/11/559111011.db2.gz GQAFRSVQNJLYOZ-OAQYLSRUSA-N 1 1 408.498 3.541 40 0 HHABMO CO[C@@]1(COc2ccc(C)cc2)CCC[N@@H+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272748 559118186 /nfs/dbraw/zinc/11/81/86/559118186.db2.gz JKSRWOZUZCFRTH-DEOSSOPVSA-N 1 1 414.521 3.700 40 0 HHABMO CC(=O)N1CC[N@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@@](O)(COc2ccccc2)C1 ZINC000585287303 559121037 /nfs/dbraw/zinc/12/10/37/559121037.db2.gz MIFZVESWBCLIAE-PQNGQFLHSA-N 1 1 402.579 3.566 40 0 HHABMO COCCNC(=O)c1sc2ccccc2c1[C@@H]1C[N@H+](CCc2ccccc2)CCO1 ZINC000072352512 559185773 /nfs/dbraw/zinc/18/57/73/559185773.db2.gz ZEAMUQJQEUPTQH-FQEVSTJZSA-N 1 1 424.566 3.894 40 0 HHABMO COCCNC(=O)c1sc2ccccc2c1[C@@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC000072352512 559185775 /nfs/dbraw/zinc/18/57/75/559185775.db2.gz ZEAMUQJQEUPTQH-FQEVSTJZSA-N 1 1 424.566 3.894 40 0 HHABMO CCN1CC[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000226070470 559272786 /nfs/dbraw/zinc/27/27/86/559272786.db2.gz HKADMSCDXVRMBS-NRFANRHFSA-N 1 1 420.638 3.675 40 0 HHABMO CCN1CC[NH+](C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000226069903 559272813 /nfs/dbraw/zinc/27/28/13/559272813.db2.gz RJTBDPRPIQSYQY-JOCHJYFZSA-N 1 1 420.638 3.794 40 0 HHABMO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257273016 559285087 /nfs/dbraw/zinc/28/50/87/559285087.db2.gz NEXIUHNZIOUSFS-LADGPHEKSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1ccc(F)cc1NC(=O)C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257273016 559285088 /nfs/dbraw/zinc/28/50/88/559285088.db2.gz NEXIUHNZIOUSFS-LADGPHEKSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCCCC3)cc2c1 ZINC000004212342 560603759 /nfs/dbraw/zinc/60/37/59/560603759.db2.gz QIUZQHPZSVWVKZ-FQEVSTJZSA-N 1 1 408.550 3.852 40 0 HHABMO COC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000004966419 560621693 /nfs/dbraw/zinc/62/16/93/560621693.db2.gz RJWSHAJFJCYKML-UHFFFAOYSA-N 1 1 409.511 3.901 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000012711510 560786300 /nfs/dbraw/zinc/78/63/00/560786300.db2.gz OBLZWGAQPNKKDH-QRWLVFNGSA-N 1 1 408.550 3.789 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000012711510 560786301 /nfs/dbraw/zinc/78/63/01/560786301.db2.gz OBLZWGAQPNKKDH-QRWLVFNGSA-N 1 1 408.550 3.789 40 0 HHABMO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1C ZINC000012833905 560788601 /nfs/dbraw/zinc/78/86/01/560788601.db2.gz RPBVJVPIQLTYSU-VLIAUNLRSA-N 1 1 408.550 3.708 40 0 HHABMO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1C ZINC000012833905 560788604 /nfs/dbraw/zinc/78/86/04/560788604.db2.gz RPBVJVPIQLTYSU-VLIAUNLRSA-N 1 1 408.550 3.708 40 0 HHABMO COc1ccc(/C=C/C(=O)NCc2ccccc2-n2cc[nH+]c2C)c(OC)c1OC ZINC000216338941 568464487 /nfs/dbraw/zinc/46/44/87/568464487.db2.gz CYEHWFHOJVNQHN-ZRDIBKRKSA-N 1 1 407.470 3.536 40 0 HHABMO COC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000219416932 568491590 /nfs/dbraw/zinc/49/15/90/568491590.db2.gz RLYMSQRHAPSQAM-UHFFFAOYSA-N 1 1 413.345 3.617 40 0 HHABMO COc1cc(C)c(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1C(C)C ZINC000223316542 568544933 /nfs/dbraw/zinc/54/49/33/568544933.db2.gz ZAELLUBNDTWPBD-UHFFFAOYSA-N 1 1 416.587 3.854 40 0 HHABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223865078 568561297 /nfs/dbraw/zinc/56/12/97/568561297.db2.gz ZGWDCUDXENNKEL-QZTJIDSGSA-N 1 1 414.571 3.813 40 0 HHABMO O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000225236882 568625061 /nfs/dbraw/zinc/62/50/61/568625061.db2.gz UEAJFDAGHUQASI-HSZRJFAPSA-N 1 1 414.505 3.815 40 0 HHABMO CCOc1ccc(-c2nnc([C@H]([NH3+])c3ccc(OC)c(OCC)c3)[nH]2)cc1OCC ZINC000095534488 568635699 /nfs/dbraw/zinc/63/56/99/568635699.db2.gz QCLUDPVOOYEONQ-HXUWFJFHSA-N 1 1 412.490 3.725 40 0 HHABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1cnn(Cc2ccccc2)c1 ZINC000225889192 568683728 /nfs/dbraw/zinc/68/37/28/568683728.db2.gz PACFXOLQXJTARX-UHFFFAOYSA-N 1 1 405.889 3.975 40 0 HHABMO Cc1cc(C)nc(Nc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000225913881 568685732 /nfs/dbraw/zinc/68/57/32/568685732.db2.gz JRVLYKDXVYRIQO-UHFFFAOYSA-N 1 1 401.514 3.795 40 0 HHABMO Nc1nc2c(c(N)n1)C[C@@]1(CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000257211476 568779329 /nfs/dbraw/zinc/77/93/29/568779329.db2.gz BZABKBXNAPDSEK-DEOSSOPVSA-N 1 1 401.514 3.668 40 0 HHABMO Cc1cccnc1Nc1cncc(C2CCN(C(=O)CC[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000257220011 568782030 /nfs/dbraw/zinc/78/20/30/568782030.db2.gz DJEREJAFUJDNRL-GOSISDBHSA-N 1 1 422.577 3.752 40 0 HHABMO C[NH+]1CCN(C(=O)C2(Cc3cccc(-c4ccc(F)c(F)c4)c3)CCOCC2)CC1 ZINC000257221792 568782433 /nfs/dbraw/zinc/78/24/33/568782433.db2.gz DQNJENUXOPCFHP-UHFFFAOYSA-N 1 1 414.496 3.745 40 0 HHABMO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)c(C)c1C ZINC000257273156 568796585 /nfs/dbraw/zinc/79/65/85/568796585.db2.gz NFMHHPZPTWJUDL-QHCPKHFHSA-N 1 1 419.529 3.628 40 0 HHABMO COc1cc(C)c(C[N@H+]2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)c(C)c1C ZINC000257273156 568796587 /nfs/dbraw/zinc/79/65/87/568796587.db2.gz NFMHHPZPTWJUDL-QHCPKHFHSA-N 1 1 419.529 3.628 40 0 HHABMO Cc1cc(Nc2cccc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)nn1C ZINC000257299011 568804257 /nfs/dbraw/zinc/80/42/57/568804257.db2.gz ROIUZQWHVWNULN-QFIPXVFZSA-N 1 1 414.513 3.989 40 0 HHABMO Cc1cc(Nc2cccc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)nn1C ZINC000257299011 568804258 /nfs/dbraw/zinc/80/42/58/568804258.db2.gz ROIUZQWHVWNULN-QFIPXVFZSA-N 1 1 414.513 3.989 40 0 HHABMO CC[N@H+]1CC[C@@H](CNC(=O)C2(Cc3cccc(-c4cccnc4)c3)CCOCC2)C1 ZINC000257305984 568806285 /nfs/dbraw/zinc/80/62/85/568806285.db2.gz SSJAJUCTPUDIMH-NRFANRHFSA-N 1 1 407.558 3.546 40 0 HHABMO COc1ccc(C[N@H+]2CC[C@@](O)(CC(C)C)[C@@H](Oc3cccc(F)c3)C2)cc1O ZINC000257306646 568806581 /nfs/dbraw/zinc/80/65/81/568806581.db2.gz SVEVAAVKLSPZFZ-XZOQPEGZSA-N 1 1 403.494 3.970 40 0 HHABMO COc1cccc(OCCc2cc([C@H]3C[N@H+](Cc4cccc(C)c4)CCO3)nn2C)c1 ZINC000257321185 568810826 /nfs/dbraw/zinc/81/08/26/568810826.db2.gz WAMVMZRFRANQDR-RUZDIDTESA-N 1 1 421.541 3.932 40 0 HHABMO COc1cccc(OCCc2cc([C@H]3C[N@@H+](Cc4cccc(C)c4)CCO3)nn2C)c1 ZINC000257321185 568810828 /nfs/dbraw/zinc/81/08/28/568810828.db2.gz WAMVMZRFRANQDR-RUZDIDTESA-N 1 1 421.541 3.932 40 0 HHABMO COc1cccc(Nc2cc(C)nc([C@H]3CC[N@H+](C4CCN(C(C)=O)CC4)C3)c2)c1 ZINC000257335212 568814893 /nfs/dbraw/zinc/81/48/93/568814893.db2.gz YJDQAUKKLOJRSY-IBGZPJMESA-N 1 1 408.546 3.942 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4sccc4C)C[C@H]32)cc1 ZINC000306126312 568889149 /nfs/dbraw/zinc/88/91/49/568889149.db2.gz DSHYZWBZAJXILH-NHCUHLMSSA-N 1 1 407.539 3.948 40 0 HHABMO COc1cccc(-c2cnc3c(N4CC[NH+](Cc5cccs5)CC4)nccn23)c1 ZINC000306128212 568891174 /nfs/dbraw/zinc/89/11/74/568891174.db2.gz GUKLPMYFDNTIRH-UHFFFAOYSA-N 1 1 405.527 3.789 40 0 HHABMO Cc1nc2c(n1C(C)C)C[N@H+](Cc1ccoc1)CC21CCN(c2ncccn2)CC1 ZINC000306130853 568893027 /nfs/dbraw/zinc/89/30/27/568893027.db2.gz JREKQOCOIAVQSB-UHFFFAOYSA-N 1 1 406.534 3.709 40 0 HHABMO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1ccoc1)CC21CCN(c2ncccn2)CC1 ZINC000306130853 568893028 /nfs/dbraw/zinc/89/30/28/568893028.db2.gz JREKQOCOIAVQSB-UHFFFAOYSA-N 1 1 406.534 3.709 40 0 HHABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2ccsc2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306131206 568893355 /nfs/dbraw/zinc/89/33/55/568893355.db2.gz JYPHJQNBAVOKGL-XUZZJYLKSA-N 1 1 420.582 3.890 40 0 HHABMO COc1ccc(-c2cccc3nc([C@@H]4C[N@H+](Cc5ccccn5)CCN4C)cn32)cc1 ZINC000306131978 568894110 /nfs/dbraw/zinc/89/41/10/568894110.db2.gz KUNHZKNNYPDQQH-DEOSSOPVSA-N 1 1 413.525 3.894 40 0 HHABMO COc1ccc(-c2cccc3nc([C@@H]4C[N@@H+](Cc5ccccn5)CCN4C)cn32)cc1 ZINC000306131978 568894112 /nfs/dbraw/zinc/89/41/12/568894112.db2.gz KUNHZKNNYPDQQH-DEOSSOPVSA-N 1 1 413.525 3.894 40 0 HHABMO CC(C)c1nc(N[C@@H](C)CO)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000328961492 568969785 /nfs/dbraw/zinc/96/97/85/568969785.db2.gz BDGUDRBVARXZPQ-ZDUSSCGKSA-N 1 1 410.440 3.854 40 0 HHABMO CC(C)c1nc(N[C@H](C)CO)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000328961489 568969830 /nfs/dbraw/zinc/96/98/30/568969830.db2.gz BDGUDRBVARXZPQ-CYBMUJFWSA-N 1 1 410.440 3.854 40 0 HHABMO CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]1 ZINC000328974766 568970674 /nfs/dbraw/zinc/97/06/74/568970674.db2.gz FGMCYTPVXHZOAP-HXUWFJFHSA-N 1 1 412.578 3.819 40 0 HHABMO C[C@@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329036519 568973885 /nfs/dbraw/zinc/97/38/85/568973885.db2.gz RJQUKVJJXDJJCZ-LBPRGKRZSA-N 1 1 408.424 3.608 40 0 HHABMO C[C@@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329036519 568973888 /nfs/dbraw/zinc/97/38/88/568973888.db2.gz RJQUKVJJXDJJCZ-LBPRGKRZSA-N 1 1 408.424 3.608 40 0 HHABMO COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(C)c2OC)C1 ZINC000227306283 569285221 /nfs/dbraw/zinc/28/52/21/569285221.db2.gz KWNXCXWEGLHDPT-WMZHIEFXSA-N 1 1 411.546 3.505 40 0 HHABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)CC1 ZINC000006953566 569335710 /nfs/dbraw/zinc/33/57/10/569335710.db2.gz HRXYSXISQGNQCZ-UHFFFAOYSA-N 1 1 411.571 3.634 40 0 HHABMO Cc1cc(C)c(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000008333340 569340020 /nfs/dbraw/zinc/34/00/20/569340020.db2.gz QLEIJSJUTVCWNG-UHFFFAOYSA-N 1 1 411.571 3.552 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000019371252 569345502 /nfs/dbraw/zinc/34/55/02/569345502.db2.gz LUHUQWDWAAADJF-ZJSXRUAMSA-N 1 1 400.526 3.902 40 0 HHABMO NC(=O)c1ccc(-c2ccc([C@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)nc2)cc1 ZINC000019693657 569346520 /nfs/dbraw/zinc/34/65/20/569346520.db2.gz IRSDGVZVLLFQMP-RUZDIDTESA-N 1 1 424.504 3.969 40 0 HHABMO NC(=O)c1ccc(-c2ccc([C@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)nc2)cc1 ZINC000019693657 569346521 /nfs/dbraw/zinc/34/65/21/569346521.db2.gz IRSDGVZVLLFQMP-RUZDIDTESA-N 1 1 424.504 3.969 40 0 HHABMO Cc1ccccc1C[N@H+]1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 ZINC000019700899 569428730 /nfs/dbraw/zinc/42/87/30/569428730.db2.gz VEHRKLJMDDBCPO-AREMUKBSSA-N 1 1 415.537 3.520 40 0 HHABMO COc1ccc2c(c1)nc1n2[C@@H](C[NH+](Cc2cccnc2)Cc2cccnc2)COC1 ZINC000096112400 291255350 /nfs/dbraw/zinc/25/53/50/291255350.db2.gz PRXMCMZVMHRCCI-FQEVSTJZSA-N 1 1 415.497 3.609 40 0 biogenic,in-vitro HHABMO COc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccnc5ccccc45)C[C@H]3F)nc2c1 ZINC000096112276 291255600 /nfs/dbraw/zinc/25/56/00/291255600.db2.gz YRGKWWLJFUJXTC-GCJKJVERSA-N 1 1 406.461 3.859 40 0 biogenic,in-vitro HHABMO COc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccnc5ccccc45)C[C@H]3F)nc2c1 ZINC000096112276 291255603 /nfs/dbraw/zinc/25/56/03/291255603.db2.gz YRGKWWLJFUJXTC-GCJKJVERSA-N 1 1 406.461 3.859 40 0 biogenic,in-vitro HHABMO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)cc1 ZINC000035425720 291254669 /nfs/dbraw/zinc/25/46/69/291254669.db2.gz SOZRPWCMEPMHBG-IBGZPJMESA-N 1 1 402.458 3.663 40 0 biogenic,in-vitro HHABMO COc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)cc1 ZINC000035425720 291254671 /nfs/dbraw/zinc/25/46/71/291254671.db2.gz SOZRPWCMEPMHBG-IBGZPJMESA-N 1 1 402.458 3.663 40 0 biogenic,in-vitro HHABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](Cc2ccccc2)C1 ZINC000015674234 291260248 /nfs/dbraw/zinc/26/02/48/291260248.db2.gz STQMWKFIYLKPKS-WBVHZDCISA-N 1 1 405.376 3.943 40 0 biogenic,in-vitro HHABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](Cc2ccccc2)C1 ZINC000015674234 291260251 /nfs/dbraw/zinc/26/02/51/291260251.db2.gz STQMWKFIYLKPKS-WBVHZDCISA-N 1 1 405.376 3.943 40 0 biogenic,in-vitro HHABMO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCC[C@H](C)C1 ZINC000225716138 520588620 /nfs/dbraw/zinc/58/86/20/520588620.db2.gz WXZZJTGPLZVFTF-WMZHIEFXSA-N 1 1 404.551 3.712 40 0 HHABMO CCCCNC(=O)[C@H]1C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@@H]2[N@@H+](C)C1 ZINC000001702070 557281613 /nfs/dbraw/zinc/28/16/13/557281613.db2.gz LTNOUVDGXDBIHL-QEORTHHSSA-N 1 1 404.352 3.807 40 0 HHABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3C)cc2Cl)CC1 ZINC000006241945 557695649 /nfs/dbraw/zinc/69/56/49/557695649.db2.gz ZPIDKVUNTVXVEZ-UHFFFAOYSA-N 1 1 416.978 3.917 40 0 HHABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752952 558272209 /nfs/dbraw/zinc/27/22/09/558272209.db2.gz PMEXHYAPJQXGLY-NRFANRHFSA-N 1 1 414.557 3.907 40 0 HHABMO COc1ccc(S[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000020110960 558335823 /nfs/dbraw/zinc/33/58/23/558335823.db2.gz GWENMVOIZLCUGO-HNNXBMFYSA-N 1 1 411.527 3.995 40 0 HHABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000012182132 558343139 /nfs/dbraw/zinc/34/31/39/558343139.db2.gz XYXCXSVJAPNTOJ-HYVNUMGLSA-N 1 1 409.456 3.795 40 0 HHABMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)c2c(OC)cccc12 ZINC000012185820 558345235 /nfs/dbraw/zinc/34/52/35/558345235.db2.gz ZKRPPZPWUUASJH-INIZCTEOSA-N 1 1 409.482 3.969 40 0 HHABMO COC(=O)c1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc(C(=O)OC)c1 ZINC000020494312 558379685 /nfs/dbraw/zinc/37/96/85/558379685.db2.gz HQOIYUDJQQGOLC-MRXNPFEDSA-N 1 1 424.497 3.744 40 0 HHABMO CN1CC[NH+](CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 ZINC000022935146 558526054 /nfs/dbraw/zinc/52/60/54/558526054.db2.gz QRCWDSJNCZRPAB-UHFFFAOYSA-N 1 1 418.006 4.000 40 0 HHABMO COc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1OC ZINC000028220631 558693085 /nfs/dbraw/zinc/69/30/85/558693085.db2.gz SBEUILKAJUHRCY-IBGZPJMESA-N 1 1 416.949 3.928 40 0 HHABMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cn(CC(=O)NCCOC)c2ccccc12 ZINC000036741529 558802240 /nfs/dbraw/zinc/80/22/40/558802240.db2.gz LTOWTZPNJVKTBO-FQEVSTJZSA-N 1 1 411.571 3.975 40 0 HHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)C1 ZINC000038856623 558819429 /nfs/dbraw/zinc/81/94/29/558819429.db2.gz UQFMOLPJYOLXIL-KRWDZBQOSA-N 1 1 415.559 3.567 40 0 HHABMO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000019219904 558851443 /nfs/dbraw/zinc/85/14/43/558851443.db2.gz RLFWJKHJJHGKKP-MRXNPFEDSA-N 1 1 404.436 3.727 40 0 HHABMO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC000019219904 558851445 /nfs/dbraw/zinc/85/14/45/558851445.db2.gz RLFWJKHJJHGKKP-MRXNPFEDSA-N 1 1 404.436 3.727 40 0 HHABMO O=C(c1ccc(Cn2ccnc2)o1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000019346474 558873599 /nfs/dbraw/zinc/87/35/99/558873599.db2.gz NHOQPHOGMOUNLN-UHFFFAOYSA-N 1 1 421.888 3.688 40 0 HHABMO O=C(c1cc([C@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)no1)N1CCC(O)CC1 ZINC000019376376 558882392 /nfs/dbraw/zinc/88/23/92/558882392.db2.gz QHSCLKQYAGUKNC-FQEVSTJZSA-N 1 1 419.525 3.804 40 0 HHABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c3nccnc3[nH]c2C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000019462584 558894103 /nfs/dbraw/zinc/89/41/03/558894103.db2.gz BZHUICHNRVUVJW-CALCHBBNSA-N 1 1 409.578 3.942 40 0 HHABMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019462463 558894121 /nfs/dbraw/zinc/89/41/21/558894121.db2.gz WFBBSBFCSMPOSS-OHQAAIJDSA-N 1 1 418.994 3.879 40 0 HHABMO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019462463 558894122 /nfs/dbraw/zinc/89/41/22/558894122.db2.gz WFBBSBFCSMPOSS-OHQAAIJDSA-N 1 1 418.994 3.879 40 0 HHABMO CCCN1CC[N@@H+](CC2=CCCOC2)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503049 558900352 /nfs/dbraw/zinc/90/03/52/558900352.db2.gz GZBYXHCZHLNRRA-VWLOTQADSA-N 1 1 419.569 3.808 40 0 HHABMO CCc1cc(C(F)(F)F)nc(NC[C@H]2C[N@@H+](C)C[C@@H]2c2ccc(OC)c(OC)c2)n1 ZINC000019522582 558904009 /nfs/dbraw/zinc/90/40/09/558904009.db2.gz LDMKHHSEDZYTMV-GOEBONIOSA-N 1 1 424.467 3.832 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@@H](c3cc4nc(C)cc(C(F)(F)F)c4c(=O)[nH]3)C2)cn1 ZINC000019524914 558906308 /nfs/dbraw/zinc/90/63/08/558906308.db2.gz VBICXSKGHXSTSK-OAHLLOKOSA-N 1 1 419.451 3.846 40 0 HHABMO CCOCc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)ccc1OC ZINC000019531085 558911757 /nfs/dbraw/zinc/91/17/57/558911757.db2.gz WCGSFMCPSZEURJ-SIKLNZKXSA-N 1 1 408.546 3.884 40 0 HHABMO CCOCc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)ccc1OC ZINC000019531085 558911760 /nfs/dbraw/zinc/91/17/60/558911760.db2.gz WCGSFMCPSZEURJ-SIKLNZKXSA-N 1 1 408.546 3.884 40 0 HHABMO Cc1nc2ccccn2c1C[N@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019555017 558917986 /nfs/dbraw/zinc/91/79/86/558917986.db2.gz KNDVENOQDWDVPU-YADARESESA-N 1 1 406.505 3.810 40 0 HHABMO Cc1nn(C[C@H](C)C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)c(C)c1C ZINC000019556995 558919219 /nfs/dbraw/zinc/91/92/19/558919219.db2.gz WQIWHSVCZVHFLB-INIZCTEOSA-N 1 1 422.577 3.956 40 0 HHABMO CCCc1ncc(C[N@H+]2CCCC[C@H]3CN(C(=O)CCc4ccccc4)C[C@H]32)cn1 ZINC000072330670 558935097 /nfs/dbraw/zinc/93/50/97/558935097.db2.gz HGRUJJZJWOODGW-XZOQPEGZSA-N 1 1 406.574 3.875 40 0 HHABMO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352427 558948705 /nfs/dbraw/zinc/94/87/05/558948705.db2.gz JGDQMGFETSGFMX-INIZCTEOSA-N 1 1 413.587 3.841 40 0 HHABMO CN(C)C(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352427 558948708 /nfs/dbraw/zinc/94/87/08/558948708.db2.gz JGDQMGFETSGFMX-INIZCTEOSA-N 1 1 413.587 3.841 40 0 HHABMO COc1ccc(OCCc2cc([C@H]3CC[N@@H+](Cc4cnc(C(C)C)nc4)C3)[nH]n2)cc1 ZINC000072371729 558958619 /nfs/dbraw/zinc/95/86/19/558958619.db2.gz HXNQHWYRNQQLME-IBGZPJMESA-N 1 1 421.545 3.943 40 0 HHABMO COc1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 ZINC000072371729 558958622 /nfs/dbraw/zinc/95/86/22/558958622.db2.gz HXNQHWYRNQQLME-IBGZPJMESA-N 1 1 421.545 3.943 40 0 HHABMO COc1ccc(OCCc2cc([C@H]3CC[N@@H+](Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 ZINC000072371729 558958625 /nfs/dbraw/zinc/95/86/25/558958625.db2.gz HXNQHWYRNQQLME-IBGZPJMESA-N 1 1 421.545 3.943 40 0 HHABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371739 558958995 /nfs/dbraw/zinc/95/89/95/558958995.db2.gz USRYCXSWCIIBBN-KRWDZBQOSA-N 1 1 409.509 3.621 40 0 HHABMO CN(C)c1ncccc1C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371739 558958997 /nfs/dbraw/zinc/95/89/97/558958997.db2.gz USRYCXSWCIIBBN-KRWDZBQOSA-N 1 1 409.509 3.621 40 0 HHABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371739 558959001 /nfs/dbraw/zinc/95/90/01/558959001.db2.gz USRYCXSWCIIBBN-KRWDZBQOSA-N 1 1 409.509 3.621 40 0 HHABMO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@H+]3Cc3cnc(C)s3)c2)cn1 ZINC000019690812 558960362 /nfs/dbraw/zinc/96/03/62/558960362.db2.gz WUFBDKYFPUBBNB-NRFANRHFSA-N 1 1 407.543 3.914 40 0 HHABMO NC(=O)c1cccc(-c2ccc([C@H]3CCC[N@@H+]3CC(=O)Nc3ccc(F)cc3)nc2)c1 ZINC000019691805 558960984 /nfs/dbraw/zinc/96/09/84/558960984.db2.gz KOLKFBJMCIPTTO-JOCHJYFZSA-N 1 1 418.472 3.762 40 0 HHABMO NC(=O)c1cccc(-c2ccc([C@H]3CCC[N@H+]3CC(=O)Nc3ccc(F)cc3)nc2)c1 ZINC000019691805 558960987 /nfs/dbraw/zinc/96/09/87/558960987.db2.gz KOLKFBJMCIPTTO-JOCHJYFZSA-N 1 1 418.472 3.762 40 0 HHABMO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+](Cc3cnn(C)c3C)C2)c1 ZINC000019694082 558962366 /nfs/dbraw/zinc/96/23/66/558962366.db2.gz QGVBRYHMUQSHGU-IBGZPJMESA-N 1 1 420.561 3.640 40 0 HHABMO Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@@H+](CC(=O)N(C)C3CCCCC3)C2)n1 ZINC000072374857 558963104 /nfs/dbraw/zinc/96/31/04/558963104.db2.gz WHDISMRIMGVCFG-LJQANCHMSA-N 1 1 422.577 3.894 40 0 HHABMO Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@H+](CC(=O)N(C)C3CCCCC3)C2)n1 ZINC000072374857 558963106 /nfs/dbraw/zinc/96/31/06/558963106.db2.gz WHDISMRIMGVCFG-LJQANCHMSA-N 1 1 422.577 3.894 40 0 HHABMO COCCOc1ccc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](c3cc[nH]n3)C2)cc1 ZINC000072395168 558974113 /nfs/dbraw/zinc/97/41/13/558974113.db2.gz KUHMNDYPNNKKKC-XZOQPEGZSA-N 1 1 407.514 3.827 40 0 HHABMO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072395947 558975050 /nfs/dbraw/zinc/97/50/50/558975050.db2.gz HHRUONSWPKAVKU-XMMPIXPASA-N 1 1 404.514 3.698 40 0 HHABMO COc1ccc2nc(OC)c(C[N@H+](C)Cc3ccccc3N3CCOCC3)cc2c1 ZINC000019715775 558977018 /nfs/dbraw/zinc/97/70/18/558977018.db2.gz GQKZMZLJYQQRDH-UHFFFAOYSA-N 1 1 407.514 3.721 40 0 HHABMO COc1ccc2nc(OC)c(C[N@@H+](C)Cc3ccccc3N3CCOCC3)cc2c1 ZINC000019715775 558977022 /nfs/dbraw/zinc/97/70/22/558977022.db2.gz GQKZMZLJYQQRDH-UHFFFAOYSA-N 1 1 407.514 3.721 40 0 HHABMO O=C(COc1cccc(Cl)c1)N1CCC[C@@]2(CCC[N@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100720 559024274 /nfs/dbraw/zinc/02/42/74/559024274.db2.gz URFGISSVDRWIDQ-RBBKRZOGSA-N 1 1 406.954 3.745 40 0 HHABMO COc1cccc2cc(C(=O)N3CCC[C@@]4(CC[N@@H+]4Cc4c(C)noc4C)C3)oc21 ZINC000585102247 559026032 /nfs/dbraw/zinc/02/60/32/559026032.db2.gz VGLIKRDKISQPEQ-HSZRJFAPSA-N 1 1 409.486 3.927 40 0 HHABMO COc1cccc2cc(C(=O)N3CCC[C@@]4(CC[N@H+]4Cc4c(C)noc4C)C3)oc21 ZINC000585102247 559026034 /nfs/dbraw/zinc/02/60/34/559026034.db2.gz VGLIKRDKISQPEQ-HSZRJFAPSA-N 1 1 409.486 3.927 40 0 HHABMO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](Cc4ccc(F)cc4F)C[C@@H]32)no1 ZINC000585109781 559029435 /nfs/dbraw/zinc/02/94/35/559029435.db2.gz TYBZBYRNWDKPRF-CNNODRBYSA-N 1 1 409.436 3.962 40 0 HHABMO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC000095630465 559087706 /nfs/dbraw/zinc/08/77/06/559087706.db2.gz MRECHDRIOBTOBZ-OAHLLOKOSA-N 1 1 419.513 3.620 40 0 HHABMO CCCc1ccc(C(=O)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC000096239944 559103458 /nfs/dbraw/zinc/10/34/58/559103458.db2.gz CHDZVSFZRLVLLU-UHFFFAOYSA-N 1 1 407.558 3.789 40 0 HHABMO O=C1CO[C@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1ccc3cc[nH]c3c1)CC2 ZINC000585261834 559109480 /nfs/dbraw/zinc/10/94/80/559109480.db2.gz SWKINMWTXOWRIH-AREMUKBSSA-N 1 1 417.553 3.994 40 0 HHABMO Cc1cc(O[C@H]2C[N@@H+](Cc3ccc(OCC(C)(C)O)cc3)C[C@@H]2O)cc(C)c1Cl ZINC000585269173 559115229 /nfs/dbraw/zinc/11/52/29/559115229.db2.gz SQPDHXUWSXKKGZ-SFTDATJTSA-N 1 1 419.949 3.731 40 0 HHABMO Cc1nccn1CCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585272040 559117786 /nfs/dbraw/zinc/11/77/86/559117786.db2.gz KXZZASVJWQLWQW-VWLOTQADSA-N 1 1 421.541 3.676 40 0 HHABMO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000107798517 559165963 /nfs/dbraw/zinc/16/59/63/559165963.db2.gz GVMAZDHTCQVSIT-RPBOFIJWSA-N 1 1 418.562 4.000 40 0 HHABMO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000107798517 559165964 /nfs/dbraw/zinc/16/59/64/559165964.db2.gz GVMAZDHTCQVSIT-RPBOFIJWSA-N 1 1 418.562 4.000 40 0 HHABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)s1 ZINC000072227285 559170190 /nfs/dbraw/zinc/17/01/90/559170190.db2.gz KBTGOGISGUYLEB-NEPJUHHUSA-N 1 1 402.111 3.688 40 0 HHABMO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)c1 ZINC000072358894 559186100 /nfs/dbraw/zinc/18/61/00/559186100.db2.gz NCNIJLRRLICVKC-HXUWFJFHSA-N 1 1 402.498 3.501 40 0 HHABMO COc1ccc(OCCc2cc([C@H]3C[N@H+](CCc4ccccc4)CCO3)[nH]n2)cc1 ZINC000257201663 559282405 /nfs/dbraw/zinc/28/24/05/559282405.db2.gz AILVQVMYXDDDDS-XMMPIXPASA-N 1 1 407.514 3.656 40 0 HHABMO COc1ccc(OCCc2cc([C@H]3C[N@@H+](CCc4ccccc4)CCO3)[nH]n2)cc1 ZINC000257201663 559282407 /nfs/dbraw/zinc/28/24/07/559282407.db2.gz AILVQVMYXDDDDS-XMMPIXPASA-N 1 1 407.514 3.656 40 0 HHABMO NC(=O)c1ccc(-c2cccc([C@@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)cc1 ZINC000257215818 559282687 /nfs/dbraw/zinc/28/26/87/559282687.db2.gz CRUBZZASWMRGFN-VWLOTQADSA-N 1 1 424.504 3.969 40 0 HHABMO NC(=O)c1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)cc1 ZINC000257215818 559282688 /nfs/dbraw/zinc/28/26/88/559282688.db2.gz CRUBZZASWMRGFN-VWLOTQADSA-N 1 1 424.504 3.969 40 0 HHABMO COc1cccc(OCCc2cc([C@H]3C[N@H+](CCc4ccccc4)CCO3)nn2C)c1 ZINC000257280061 559285132 /nfs/dbraw/zinc/28/51/32/559285132.db2.gz OJHFMENTRAOGSM-RUZDIDTESA-N 1 1 421.541 3.666 40 0 HHABMO COc1cccc(OCCc2cc([C@H]3C[N@@H+](CCc4ccccc4)CCO3)nn2C)c1 ZINC000257280061 559285135 /nfs/dbraw/zinc/28/51/35/559285135.db2.gz OJHFMENTRAOGSM-RUZDIDTESA-N 1 1 421.541 3.666 40 0 HHABMO Cc1noc(C)c1C[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 ZINC000514290026 560030804 /nfs/dbraw/zinc/03/08/04/560030804.db2.gz VBNHGABKGDTGAT-WPFOTENUSA-N 1 1 411.546 3.664 40 0 biogenic,in-vitro HHABMO Cc1noc(C)c1C[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 ZINC000514290026 560030805 /nfs/dbraw/zinc/03/08/05/560030805.db2.gz VBNHGABKGDTGAT-WPFOTENUSA-N 1 1 411.546 3.664 40 0 biogenic,in-vitro HHABMO COc1cc(NC(=O)c2ccc(F)cc2)c(OC)cc1NC(=O)C[NH+]1CCCCC1 ZINC000004231847 560603067 /nfs/dbraw/zinc/60/30/67/560603067.db2.gz XMBVYHDHLZZLBV-UHFFFAOYSA-N 1 1 415.465 3.520 40 0 HHABMO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(n2nnc3cc(C)ccc32)CC1 ZINC000004374624 560605531 /nfs/dbraw/zinc/60/55/31/560605531.db2.gz QBOHAJHTRCNTCQ-UHFFFAOYSA-N 1 1 413.909 3.677 40 0 HHABMO C=C1[NH+]=C(SCC(C)C)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408985911 560661656 /nfs/dbraw/zinc/66/16/56/560661656.db2.gz BLDRRORULSKGAG-GOSISDBHSA-N 1 1 422.547 3.939 40 0 HHABMO c1ccc(C[NH+]2CCN([C@H](c3nnnn3C3CCCC3)c3ccccc3)CC2)cc1 ZINC000019372124 560872832 /nfs/dbraw/zinc/87/28/32/560872832.db2.gz HWKXWVOBVCWCPG-QHCPKHFHSA-N 1 1 402.546 3.695 40 0 HHABMO [NH3+][C@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)OCc1ccccc1 ZINC000213080381 568430394 /nfs/dbraw/zinc/43/03/94/568430394.db2.gz QLARDNJROYWFFU-LJQANCHMSA-N 1 1 404.894 3.807 40 0 HHABMO CCC[N@@H+](CCN1CCN(c2ccccc2OC)CC1)[C@H]1CCc2ncsc2C1 ZINC000095641927 568510001 /nfs/dbraw/zinc/51/00/01/568510001.db2.gz RSWFSOOHVWOZQI-IBGZPJMESA-N 1 1 414.619 3.543 40 0 HHABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)cc1OCC ZINC000095534611 568635879 /nfs/dbraw/zinc/63/58/79/568635879.db2.gz XZUALZVPOPVNKG-OAHLLOKOSA-N 1 1 407.268 3.673 40 0 HHABMO COc1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c2cccnc12 ZINC000225744571 568670356 /nfs/dbraw/zinc/67/03/56/568670356.db2.gz RTGMTGWOYHYOBF-UHFFFAOYSA-N 1 1 406.555 3.978 40 0 HHABMO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000225743622 568670486 /nfs/dbraw/zinc/67/04/86/568670486.db2.gz ORIWSKNCIYZMEO-UHFFFAOYSA-N 1 1 411.571 3.907 40 0 HHABMO CCOC(=O)c1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000225743665 568670579 /nfs/dbraw/zinc/67/05/79/568670579.db2.gz IEDVFWIQYGJBBW-UHFFFAOYSA-N 1 1 411.571 3.907 40 0 HHABMO Cc1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@H]32)sc2[nH]cnc(=O)c12 ZINC000257198914 568775891 /nfs/dbraw/zinc/77/58/91/568775891.db2.gz LPPMVEHGZWXTBA-FAJBIJEISA-N 1 1 424.570 3.741 40 0 HHABMO Nc1nc2c(c(N)n1)C[C@]1(CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000257211477 568779316 /nfs/dbraw/zinc/77/93/16/568779316.db2.gz BZABKBXNAPDSEK-XMMPIXPASA-N 1 1 401.514 3.668 40 0 HHABMO CN1C(=O)CO[C@H]2CC[N@H+](Cc3cc(Cl)ccc3OCc3ccccc3)CC[C@@H]21 ZINC000257230355 568784944 /nfs/dbraw/zinc/78/49/44/568784944.db2.gz GBYCBBUXUJINFL-UNMCSNQZSA-N 1 1 414.933 3.741 40 0 HHABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)nc(C)c1CC(=O)NC(C)C ZINC000257244505 568788716 /nfs/dbraw/zinc/78/87/16/568788716.db2.gz ILQBPWPXGMPFBW-GOSISDBHSA-N 1 1 400.954 3.803 40 0 HHABMO CN1C(=O)C2(C[C@H]1Cc1cccc(F)c1)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC000257258373 568792530 /nfs/dbraw/zinc/79/25/30/568792530.db2.gz KTOTWGLVMJUATB-HXUWFJFHSA-N 1 1 401.913 3.930 40 0 HHABMO CCOc1ccc2nc(NC(=O)C[NH+]3CCC4(COC(C)(C)C4)CC3)sc2c1 ZINC000257271996 568796127 /nfs/dbraw/zinc/79/61/27/568796127.db2.gz NARAVDSCMZWVGO-UHFFFAOYSA-N 1 1 403.548 3.915 40 0 HHABMO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)c(C)c1C ZINC000257273155 568796498 /nfs/dbraw/zinc/79/64/98/568796498.db2.gz NFMHHPZPTWJUDL-HSZRJFAPSA-N 1 1 419.529 3.628 40 0 HHABMO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)c(C)c1C ZINC000257273155 568796500 /nfs/dbraw/zinc/79/65/00/568796500.db2.gz NFMHHPZPTWJUDL-HSZRJFAPSA-N 1 1 419.529 3.628 40 0 HHABMO Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(C(=O)COc3ccccc3)CCO2)[nH+]1 ZINC000257274906 568797068 /nfs/dbraw/zinc/79/70/68/568797068.db2.gz NNDXYGFATFFDPP-QFIPXVFZSA-N 1 1 418.497 3.816 40 0 HHABMO Cc1nccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)n1 ZINC000257323601 568811358 /nfs/dbraw/zinc/81/13/58/568811358.db2.gz WLAQEGACPWBLQQ-LYVDORBWSA-N 1 1 404.558 3.874 40 0 HHABMO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@@H+](CC2CC2)CCO1)N1CCCCC1 ZINC000257329954 568813011 /nfs/dbraw/zinc/81/30/11/568813011.db2.gz XMELQYUFJXBFJU-JOCHJYFZSA-N 1 1 406.954 3.602 40 0 HHABMO Cc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)[nH]c(=O)n1 ZINC000257333945 568814135 /nfs/dbraw/zinc/81/41/35/568814135.db2.gz YDUGFOPLWIWUNL-CZLVRFMKSA-N 1 1 420.557 3.579 40 0 HHABMO Cc1nc2ccccn2c1-c1nnc2sc(C[N@H+]3CC[C@@H](c4ccccc4)C3)nn21 ZINC000227144089 568827974 /nfs/dbraw/zinc/82/79/74/568827974.db2.gz QXKJKGJVBQOFIS-QGZVFWFLSA-N 1 1 415.526 3.798 40 0 HHABMO COc1cccc(C[N@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306123321 568886558 /nfs/dbraw/zinc/88/65/58/568886558.db2.gz AKBITFNHJSSZKG-XMMPIXPASA-N 1 1 413.525 3.894 40 0 HHABMO c1c([C@@H]2C[N@@H+](Cc3ccccn3)CCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306125162 568887831 /nfs/dbraw/zinc/88/78/31/568887831.db2.gz CIDXZGVWBQOGDK-QHCPKHFHSA-N 1 1 416.573 3.598 40 0 HHABMO c1c([C@@H]2C[N@H+](Cc3ccccn3)CCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306125162 568887832 /nfs/dbraw/zinc/88/78/32/568887832.db2.gz CIDXZGVWBQOGDK-QHCPKHFHSA-N 1 1 416.573 3.598 40 0 HHABMO COc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccc(F)cc2)c1 ZINC000306128278 568891267 /nfs/dbraw/zinc/89/12/67/568891267.db2.gz GVVMNHSXINQNPB-XZOQPEGZSA-N 1 1 405.473 3.717 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccc(C)s4)C[C@@H]32)cc1 ZINC000306130897 568893388 /nfs/dbraw/zinc/89/33/88/568893388.db2.gz JSFIJIDXVJLRLT-YADHBBJMSA-N 1 1 407.539 3.948 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccc(C)s4)C[C@H]32)cc1 ZINC000306130895 568893483 /nfs/dbraw/zinc/89/34/83/568893483.db2.gz JSFIJIDXVJLRLT-FGZHOGPDSA-N 1 1 407.539 3.948 40 0 HHABMO c1cncc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccc6c(c5)OCO6)C4)nn3c2)c1 ZINC000306134611 568896524 /nfs/dbraw/zinc/89/65/24/568896524.db2.gz NTMPLAMSDFSABU-FQEVSTJZSA-N 1 1 413.481 3.900 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC000306134829 568896671 /nfs/dbraw/zinc/89/66/71/568896671.db2.gz NZFNHQRYYVTVMS-GOTSBHOMSA-N 1 1 405.473 3.717 40 0 HHABMO COc1ccccc1C[N@H+]1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136584 568898393 /nfs/dbraw/zinc/89/83/93/568898393.db2.gz PXNVXXBFUVDWLA-OFVILXPXSA-N 1 1 422.573 3.701 40 0 HHABMO COc1ccc(C[N@H+]2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306137258 568899059 /nfs/dbraw/zinc/89/90/59/568899059.db2.gz QQUWORYBDAPESN-DEOSSOPVSA-N 1 1 413.525 3.894 40 0 HHABMO CCc1ccc(C[N@H+]2C[C@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306137667 568899628 /nfs/dbraw/zinc/89/96/28/568899628.db2.gz RCTCCDNDTHMQGQ-VXKWHMMOSA-N 1 1 406.555 3.897 40 0 HHABMO Cc1nc(N[C@H](CO)C(C)C)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000328965230 568970070 /nfs/dbraw/zinc/97/00/70/568970070.db2.gz CAYDSQGJSQRISQ-QGZVFWFLSA-N 1 1 405.340 3.539 40 0 HHABMO CC(C)c1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329067267 568975588 /nfs/dbraw/zinc/97/55/88/568975588.db2.gz YHEPWRKXKVDPRB-OAQYLSRUSA-N 1 1 412.578 3.819 40 0 HHABMO CC(C)c1nc(N[C@@H](C)CO)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329070878 568975953 /nfs/dbraw/zinc/97/59/53/568975953.db2.gz ZKOQCDTWZWFDCQ-ZDUSSCGKSA-N 1 1 405.340 3.718 40 0 HHABMO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)C[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000019496524 569345577 /nfs/dbraw/zinc/34/55/77/569345577.db2.gz IVJYZQQPTKUMQX-WMWXMDJXSA-N 1 1 400.563 3.824 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c(OC)c1 ZINC000019552253 569345625 /nfs/dbraw/zinc/34/56/25/569345625.db2.gz RRHPAUUBXJDDLQ-WMZHIEFXSA-N 1 1 409.530 3.578 40 0 HHABMO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000019498197 569345713 /nfs/dbraw/zinc/34/57/13/569345713.db2.gz OHARHGKLGGCDRI-NNPDTBDGSA-N 1 1 423.557 3.511 40 0 HHABMO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C1)c1cccs1 ZINC000020503651 575370257 /nfs/dbraw/zinc/37/02/57/575370257.db2.gz DGNBSYNQDZTEJJ-DLBZAZTESA-N 1 1 423.513 3.921 40 0 biogenic,in-vitro HHABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000072398629 527009581 /nfs/dbraw/zinc/00/95/81/527009581.db2.gz ZZRRMPGGAFROFJ-XXBNENTESA-N 1 1 404.489 3.999 40 0 HHABMO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000408624053 557552023 /nfs/dbraw/zinc/55/20/23/557552023.db2.gz ASDUDVJNRBQTJE-UHFFFAOYSA-N 1 1 402.951 3.527 40 0 HHABMO COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCC[N@@H+]3CC3CC3)nc21 ZINC000019740401 558261345 /nfs/dbraw/zinc/26/13/45/558261345.db2.gz XHLBZLAVLZRUNJ-FQEVSTJZSA-N 1 1 406.530 3.820 40 0 HHABMO COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCC[N@H+]3CC3CC3)nc21 ZINC000019740401 558261346 /nfs/dbraw/zinc/26/13/46/558261346.db2.gz XHLBZLAVLZRUNJ-FQEVSTJZSA-N 1 1 406.530 3.820 40 0 HHABMO CCC[N@H+]1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)CC3)C1 ZINC000019741245 558261850 /nfs/dbraw/zinc/26/18/50/558261850.db2.gz JSJMTGSQJPGDHB-IBGZPJMESA-N 1 1 408.546 3.862 40 0 HHABMO Cc1nc([C@H]2CCC[N@H+](C3CCOCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741472 558261961 /nfs/dbraw/zinc/26/19/61/558261961.db2.gz TWUCEDVRXMSFBR-FQEVSTJZSA-N 1 1 420.557 3.623 40 0 HHABMO CC(C)c1ncc(C[NH+]2CCC(CC(=O)N3CCN(c4ccccc4)CC3)CC2)cn1 ZINC000019748405 558267680 /nfs/dbraw/zinc/26/76/80/558267680.db2.gz LJPPJJIDUFMYQK-UHFFFAOYSA-N 1 1 421.589 3.551 40 0 HHABMO C[N@H+](Cc1cc(-c2ccc(F)cc2)c[nH]c1=O)C[C@H](O)Cn1ccc2ccccc21 ZINC000012144081 558335697 /nfs/dbraw/zinc/33/56/97/558335697.db2.gz ICTBMDLLTRVHEH-QFIPXVFZSA-N 1 1 405.473 3.629 40 0 HHABMO C[N@@H+](CCc1ccccc1)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182784 558343619 /nfs/dbraw/zinc/34/36/19/558343619.db2.gz QJBJSRPVJKJVTB-LEWJYISDSA-N 1 1 424.545 3.561 40 0 HHABMO CCOc1cc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)c(C)cc1OC ZINC000012275482 558363866 /nfs/dbraw/zinc/36/38/66/558363866.db2.gz ARLHFSLWQDLOIQ-QGZVFWFLSA-N 1 1 409.534 3.715 40 0 HHABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@@H+](Cc3ccccc3F)C1)O2 ZINC000012407698 558398487 /nfs/dbraw/zinc/39/84/87/558398487.db2.gz CVVADQOJEXTCJE-DVECYGJZSA-N 1 1 412.505 3.856 40 0 HHABMO O=C([C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850732 558818829 /nfs/dbraw/zinc/81/88/29/558818829.db2.gz BYOHFUHOVJXHFQ-JOCHJYFZSA-N 1 1 411.977 3.896 40 0 HHABMO CC(=O)Nc1ccc(C[N@@H+](Cc2ccncc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000019120624 558843095 /nfs/dbraw/zinc/84/30/95/558843095.db2.gz MEXQXFGCZHYQES-ZJSXRUAMSA-N 1 1 420.513 3.596 40 0 HHABMO Cc1cc(C)n(-c2cccc(C[N@@H+]3C[C@H]4[C@H](CC[C@]4(O)c4ccc(C)cn4)C3)c2)n1 ZINC000019216144 558850244 /nfs/dbraw/zinc/85/02/44/558850244.db2.gz NOIGNGWKBDRIDR-NMVJMZGASA-N 1 1 402.542 3.922 40 0 HHABMO COc1ccccc1-c1ccc(C[C@]2(C(N)=O)CC[N@@H+](Cc3cccc(C)n3)C2)cc1 ZINC000019236135 558855163 /nfs/dbraw/zinc/85/51/63/558855163.db2.gz GASCHUMLCRDZSZ-AREMUKBSSA-N 1 1 415.537 3.986 40 0 HHABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000019236852 558856200 /nfs/dbraw/zinc/85/62/00/558856200.db2.gz AHTVFMABRZJUCG-NZQKXSOJSA-N 1 1 403.530 3.507 40 0 HHABMO Cc1ccccc1OC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccn3)C2)C1 ZINC000019237335 558856421 /nfs/dbraw/zinc/85/64/21/558856421.db2.gz KVWQKKCKLKMUGY-PKTZIBPZSA-N 1 1 421.585 3.962 40 0 HHABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000019290180 558862638 /nfs/dbraw/zinc/86/26/38/558862638.db2.gz WLTHKWTYGREZHK-FQEVSTJZSA-N 1 1 402.546 3.857 40 0 HHABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019370382 558878579 /nfs/dbraw/zinc/87/85/79/558878579.db2.gz VWTYPWDKTDFTLR-RCZVLFRGSA-N 1 1 400.526 3.789 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1)c1cccc(F)c1 ZINC000019400430 558883203 /nfs/dbraw/zinc/88/32/03/558883203.db2.gz KJUIGHUOUUAGGZ-OFNKIYASSA-N 1 1 409.505 3.751 40 0 HHABMO CC1CCN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000019496719 558895722 /nfs/dbraw/zinc/89/57/22/558895722.db2.gz RYBZRZJQNABUMU-MSOLQXFVSA-N 1 1 404.967 3.633 40 0 HHABMO CC1CCN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000019496719 558895724 /nfs/dbraw/zinc/89/57/24/558895724.db2.gz RYBZRZJQNABUMU-MSOLQXFVSA-N 1 1 404.967 3.633 40 0 HHABMO CCC(=O)Nc1cc([C@@H](O)C[N@@H+]2CCc3[nH]c4c(cccc4C)c3C2)ccc1OC ZINC000019499307 558897456 /nfs/dbraw/zinc/89/74/56/558897456.db2.gz RULPIVMZYLBSGX-NRFANRHFSA-N 1 1 407.514 3.925 40 0 HHABMO CCC(=O)Nc1cc([C@@H](O)C[N@H+]2CCc3[nH]c4c(cccc4C)c3C2)ccc1OC ZINC000019499307 558897457 /nfs/dbraw/zinc/89/74/57/558897457.db2.gz RULPIVMZYLBSGX-NRFANRHFSA-N 1 1 407.514 3.925 40 0 HHABMO CCCN1CC[N@@H+](CC2=CCCOC2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502825 558900148 /nfs/dbraw/zinc/90/01/48/558900148.db2.gz LAXYPKJJKOTZIL-VWLOTQADSA-N 1 1 419.569 3.808 40 0 HHABMO CCOc1cc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)ccc1OC ZINC000019532027 558912327 /nfs/dbraw/zinc/91/23/27/558912327.db2.gz WDBXHVDMYZWNIK-FQEVSTJZSA-N 1 1 420.513 3.966 40 0 HHABMO CCOc1cc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)ccc1OC ZINC000019532027 558912330 /nfs/dbraw/zinc/91/23/30/558912330.db2.gz WDBXHVDMYZWNIK-FQEVSTJZSA-N 1 1 420.513 3.966 40 0 HHABMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c(OC)c1 ZINC000019552329 558915914 /nfs/dbraw/zinc/91/59/14/558915914.db2.gz JPJZNBOYABCUIA-FQEVSTJZSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c(OC)c1 ZINC000019552329 558915916 /nfs/dbraw/zinc/91/59/16/558915916.db2.gz JPJZNBOYABCUIA-FQEVSTJZSA-N 1 1 406.486 3.989 40 0 HHABMO Cc1nc2sccn2c1C[N@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019555095 558917905 /nfs/dbraw/zinc/91/79/05/558917905.db2.gz RGPWXGHNVHVPBW-HTAPYJJXSA-N 1 1 412.534 3.872 40 0 HHABMO COc1cccc(C[N@H+]2CCNC(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)c1 ZINC000019565369 558925436 /nfs/dbraw/zinc/92/54/36/558925436.db2.gz NZAMGVHELKIYBQ-QHCPKHFHSA-N 1 1 401.510 3.548 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)cc1OC ZINC000072330559 558934779 /nfs/dbraw/zinc/93/47/79/558934779.db2.gz RTJVJMQQJWTSBM-YKSBVNFPSA-N 1 1 423.557 3.968 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019580496 558936044 /nfs/dbraw/zinc/93/60/44/558936044.db2.gz QBDPYBZOCHPPHP-VWLOTQADSA-N 1 1 400.526 3.667 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019591344 558941872 /nfs/dbraw/zinc/94/18/72/558941872.db2.gz BFAYRSIVHNJRER-RUZDIDTESA-N 1 1 400.526 3.715 40 0 HHABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)CC1 ZINC000072346206 558943088 /nfs/dbraw/zinc/94/30/88/558943088.db2.gz ZSSNITNTBIKMEI-KRWDZBQOSA-N 1 1 413.953 3.570 40 0 HHABMO COCCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 ZINC000019593717 558944741 /nfs/dbraw/zinc/94/47/41/558944741.db2.gz SUGUWEZSWKJAPL-QFIPXVFZSA-N 1 1 420.513 3.584 40 0 HHABMO COc1ccccc1Cc1cc(C)nc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072353814 558950923 /nfs/dbraw/zinc/95/09/23/558950923.db2.gz OOJNBWWDDUBPHI-JOCHJYFZSA-N 1 1 407.558 3.791 40 0 HHABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 ZINC000072354652 558951869 /nfs/dbraw/zinc/95/18/69/558951869.db2.gz MYUDINJAYWLLEX-HXUWFJFHSA-N 1 1 421.476 3.649 40 0 HHABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 ZINC000072354652 558951871 /nfs/dbraw/zinc/95/18/71/558951871.db2.gz MYUDINJAYWLLEX-HXUWFJFHSA-N 1 1 421.476 3.649 40 0 HHABMO CC1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)CC1 ZINC000019687486 558957391 /nfs/dbraw/zinc/95/73/91/558957391.db2.gz VTITZABVTJNJLY-OAQYLSRUSA-N 1 1 421.589 3.648 40 0 HHABMO Cn1cc(C[N@H+]2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000072371567 558958729 /nfs/dbraw/zinc/95/87/29/558958729.db2.gz AUJRKLGIPWTYEA-INIZCTEOSA-N 1 1 419.451 3.773 40 0 HHABMO Cn1cc(C[N@@H+]2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 ZINC000072371567 558958731 /nfs/dbraw/zinc/95/87/31/558958731.db2.gz AUJRKLGIPWTYEA-INIZCTEOSA-N 1 1 419.451 3.773 40 0 HHABMO Cn1cc(C[N@H+]2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 ZINC000072371567 558958732 /nfs/dbraw/zinc/95/87/32/558958732.db2.gz AUJRKLGIPWTYEA-INIZCTEOSA-N 1 1 419.451 3.773 40 0 HHABMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1)N1CCCCC1 ZINC000072374493 558962178 /nfs/dbraw/zinc/96/21/78/558962178.db2.gz IOOHUEWHNXJWMJ-NRFANRHFSA-N 1 1 418.545 3.719 40 0 HHABMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1)N1CCCCC1 ZINC000072374493 558962181 /nfs/dbraw/zinc/96/21/81/558962181.db2.gz IOOHUEWHNXJWMJ-NRFANRHFSA-N 1 1 418.545 3.719 40 0 HHABMO Cc1c(C[N@@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cnn1C ZINC000019694086 558962343 /nfs/dbraw/zinc/96/23/43/558962343.db2.gz GVCCAVYARGPEIK-SFHVURJKSA-N 1 1 408.525 3.770 40 0 HHABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 ZINC000019694074 558962376 /nfs/dbraw/zinc/96/23/76/558962376.db2.gz NUKCDYJWCZYWBH-KRWDZBQOSA-N 1 1 408.525 3.770 40 0 HHABMO CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 ZINC000019694415 558962858 /nfs/dbraw/zinc/96/28/58/558962858.db2.gz IAAZJMRPTPPVOS-HXUWFJFHSA-N 1 1 413.541 3.744 40 0 HHABMO CCN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 ZINC000019694415 558962860 /nfs/dbraw/zinc/96/28/60/558962860.db2.gz IAAZJMRPTPPVOS-HXUWFJFHSA-N 1 1 413.541 3.744 40 0 HHABMO Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000072374852 558962997 /nfs/dbraw/zinc/96/29/97/558962997.db2.gz SPVSLIQGBBWRLI-KRWDZBQOSA-N 1 1 420.492 3.881 40 0 HHABMO Cc1cccnc1C[N@@H+]1CCCN(C(=O)c2cc(-n3cccn3)ccc2Cl)CC1 ZINC000019713978 558973708 /nfs/dbraw/zinc/97/37/08/558973708.db2.gz JFKZIQVEXUTPDY-UHFFFAOYSA-N 1 1 409.921 3.577 40 0 HHABMO Cc1cccnc1C[N@H+]1CCCN(C(=O)c2cc(-n3cccn3)ccc2Cl)CC1 ZINC000019713978 558973710 /nfs/dbraw/zinc/97/37/10/558973710.db2.gz JFKZIQVEXUTPDY-UHFFFAOYSA-N 1 1 409.921 3.577 40 0 HHABMO Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCC[N@@H+](Cc4ccncc4)C3)on2)cc1 ZINC000072395948 558975055 /nfs/dbraw/zinc/97/50/55/558975055.db2.gz NXOXFNPGQXOZAY-RUZDIDTESA-N 1 1 418.541 3.958 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c(OC)c1 ZINC000072398552 558976013 /nfs/dbraw/zinc/97/60/13/558976013.db2.gz RRHPAUUBXJDDLQ-CVDCTZTESA-N 1 1 409.530 3.578 40 0 HHABMO C[C@H]1CCC[N@@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)[C@H]1C ZINC000257261590 558994974 /nfs/dbraw/zinc/99/49/74/558994974.db2.gz LHZUQDZNUSSQCI-STEAMIEHSA-N 1 1 402.539 3.507 40 0 HHABMO CN(C)c1ncc(C(=O)N2CCC[C@]3(CCC[N@H+]3Cc3cc(F)ccc3F)CC2)o1 ZINC000585100299 559023809 /nfs/dbraw/zinc/02/38/09/559023809.db2.gz ARFRHWPOBCMXEX-QFIPXVFZSA-N 1 1 418.488 3.680 40 0 HHABMO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@H+](C)Cc4cccnc4)C3)CC2)cc1F ZINC000585104877 559027524 /nfs/dbraw/zinc/02/75/24/559027524.db2.gz VCWANOFBVQZJIV-NRFANRHFSA-N 1 1 411.521 3.672 40 0 HHABMO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(C(C)C)cc3)C[C@@H]21 ZINC000585109833 559029470 /nfs/dbraw/zinc/02/94/70/559029470.db2.gz YWSHWRDVIGUEBB-KYPHJKQUSA-N 1 1 422.569 3.860 40 0 HHABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2 ZINC000096056074 559093930 /nfs/dbraw/zinc/09/39/30/559093930.db2.gz DIVWLYLGHBCABJ-CVDCTZTESA-N 1 1 413.587 3.729 40 0 HHABMO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096056074 559093931 /nfs/dbraw/zinc/09/39/31/559093931.db2.gz DIVWLYLGHBCABJ-CVDCTZTESA-N 1 1 413.587 3.729 40 0 HHABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096056074 559093934 /nfs/dbraw/zinc/09/39/34/559093934.db2.gz DIVWLYLGHBCABJ-CVDCTZTESA-N 1 1 413.587 3.729 40 0 HHABMO O=C1CO[C@@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1ccc3cc[nH]c3c1)CC2 ZINC000585261835 559109504 /nfs/dbraw/zinc/10/95/04/559109504.db2.gz SWKINMWTXOWRIH-SANMLTNESA-N 1 1 417.553 3.994 40 0 HHABMO CC(=O)N1CCCC[C@H]2[N@@H+](CC3(O)CCN(c4ccccc4C)CC3)CCC[C@@]21C ZINC000585262948 559111555 /nfs/dbraw/zinc/11/15/55/559111555.db2.gz QXPXMRUQURGWKA-RPWUZVMVSA-N 1 1 413.606 3.582 40 0 HHABMO CC(=O)N1CCCC[C@H]2[N@@H+](CC3(O)CCN(c4ccc(C)cc4)CC3)CCC[C@@]21C ZINC000585262941 559111641 /nfs/dbraw/zinc/11/16/41/559111641.db2.gz QEJNCIVVWADJGL-RPWUZVMVSA-N 1 1 413.606 3.582 40 0 HHABMO O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc(OCCCn3cccn3)cc2)C1 ZINC000585273696 559118327 /nfs/dbraw/zinc/11/83/27/559118327.db2.gz QKGYBCGCLYKRQT-RUZDIDTESA-N 1 1 421.541 3.758 40 0 HHABMO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257249292 559284469 /nfs/dbraw/zinc/28/44/69/559284469.db2.gz JHODZLPUKPQMLW-ZCYQVOJMSA-N 1 1 424.541 3.782 40 0 HHABMO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257249292 559284470 /nfs/dbraw/zinc/28/44/70/559284470.db2.gz JHODZLPUKPQMLW-ZCYQVOJMSA-N 1 1 424.541 3.782 40 0 HHABMO CCOC(=O)C1CCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000409026960 560668101 /nfs/dbraw/zinc/66/81/01/560668101.db2.gz KTJQJBWBAVEYSY-UHFFFAOYSA-N 1 1 406.526 3.660 40 0 HHABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000010544245 560770361 /nfs/dbraw/zinc/77/03/61/560770361.db2.gz GHOLGJYYUCVBPS-KRWDZBQOSA-N 1 1 403.386 3.523 40 0 HHABMO O=c1[nH]c2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000014162712 560839355 /nfs/dbraw/zinc/83/93/55/560839355.db2.gz RZUUQYABXLEYQM-UHFFFAOYSA-N 1 1 423.925 3.952 40 0 HHABMO O=c1[nH]c2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000014162712 560839356 /nfs/dbraw/zinc/83/93/56/560839356.db2.gz RZUUQYABXLEYQM-UHFFFAOYSA-N 1 1 423.925 3.952 40 0 HHABMO Fc1cccc(-c2cc3nc4c(c(NCCC[NH+]5CCOCC5)n3n2)CCCC4)c1 ZINC000026439845 568547214 /nfs/dbraw/zinc/54/72/14/568547214.db2.gz FPXDUDPLJRWBFU-UHFFFAOYSA-N 1 1 409.509 3.548 40 0 HHABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223705910 568556855 /nfs/dbraw/zinc/55/68/55/568556855.db2.gz MPKVMUZVXXJIQB-UHFFFAOYSA-N 1 1 411.527 3.763 40 0 HHABMO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000224419834 568580824 /nfs/dbraw/zinc/58/08/24/568580824.db2.gz TYBAQKQSSABVHX-FUHWJXTLSA-N 1 1 400.494 3.932 40 0 HHABMO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224752150 568595161 /nfs/dbraw/zinc/59/51/61/568595161.db2.gz XYDYPYVWUZBLNC-QFIPXVFZSA-N 1 1 416.949 3.954 40 0 HHABMO O=C(NC[C@H]1COc2ccccc2O1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000225270045 568627117 /nfs/dbraw/zinc/62/71/17/568627117.db2.gz MYIFQFFJVPYFPR-INIZCTEOSA-N 1 1 418.896 3.647 40 0 HHABMO NC(=O)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000225907417 568685161 /nfs/dbraw/zinc/68/51/61/568685161.db2.gz VQFQMMCFOHSNHX-MRXNPFEDSA-N 1 1 420.340 3.872 40 0 HHABMO NC(=O)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000225907417 568685163 /nfs/dbraw/zinc/68/51/63/568685163.db2.gz VQFQMMCFOHSNHX-MRXNPFEDSA-N 1 1 420.340 3.872 40 0 HHABMO NC(=O)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000225910475 568685486 /nfs/dbraw/zinc/68/54/86/568685486.db2.gz XKAKDLOCRYVZKS-OAHLLOKOSA-N 1 1 420.340 3.872 40 0 HHABMO NC(=O)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000225910475 568685489 /nfs/dbraw/zinc/68/54/89/568685489.db2.gz XKAKDLOCRYVZKS-OAHLLOKOSA-N 1 1 420.340 3.872 40 0 HHABMO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)c1[nH]nc2ccccc21)[C@H]3Cc1ccccc1 ZINC000257219867 568782075 /nfs/dbraw/zinc/78/20/75/568782075.db2.gz DINZSXQFCSQVOE-ZWCDFLAXSA-N 1 1 400.526 3.919 40 0 HHABMO Cc1c(F)cccc1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257236322 568786451 /nfs/dbraw/zinc/78/64/51/568786451.db2.gz HBOXZYJTWCWXSW-VWNXMTODSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1c(F)cccc1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257236322 568786454 /nfs/dbraw/zinc/78/64/54/568786454.db2.gz HBOXZYJTWCWXSW-VWNXMTODSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1cc(N2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)nc(C)[nH+]1 ZINC000257242108 568788032 /nfs/dbraw/zinc/78/80/32/568788032.db2.gz IBDPZPXAOMHYFS-HXUWFJFHSA-N 1 1 413.909 3.669 40 0 HHABMO CCN1CC[N@@H+](Cc2ccc(O)cc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257282383 568799089 /nfs/dbraw/zinc/79/90/89/568799089.db2.gz OTOCTCCIIPZHIM-QHCPKHFHSA-N 1 1 415.537 3.977 40 0 HHABMO c1cnc2cccc(C[C@H]3COCC[N@@H+](Cc4ccnc(N5CCCCC5)n4)C3)c2c1 ZINC000257284022 568799516 /nfs/dbraw/zinc/79/95/16/568799516.db2.gz PAXYGWULZFEWDU-HXUWFJFHSA-N 1 1 417.557 3.706 40 0 HHABMO Cn1nc([C@@H]2C[N@H+](CC3CC3)CCO2)cc1CCOc1ccc(C(F)(F)F)cc1 ZINC000257284137 568799732 /nfs/dbraw/zinc/79/97/32/568799732.db2.gz PBJCQKCRSSUCAO-FQEVSTJZSA-N 1 1 409.452 3.844 40 0 HHABMO Cn1nc([C@@H]2C[N@@H+](CC3CC3)CCO2)cc1CCOc1ccc(C(F)(F)F)cc1 ZINC000257284137 568799734 /nfs/dbraw/zinc/79/97/34/568799734.db2.gz PBJCQKCRSSUCAO-FQEVSTJZSA-N 1 1 409.452 3.844 40 0 HHABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccc1O ZINC000257321598 568810886 /nfs/dbraw/zinc/81/08/86/568810886.db2.gz WCIFUUNCCVOYIV-IOXNLNJLSA-N 1 1 405.542 3.876 40 0 HHABMO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)c1 ZINC000306128277 568891201 /nfs/dbraw/zinc/89/12/01/568891201.db2.gz GVVMNHSXINQNPB-PKTZIBPZSA-N 1 1 405.473 3.717 40 0 HHABMO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@@H+](Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306131325 568893731 /nfs/dbraw/zinc/89/37/31/568893731.db2.gz KCAHHJJLPOIXNZ-ISKFKSNPSA-N 1 1 419.550 3.540 40 0 HHABMO Cc1nc2c(n1C(C)C)C[N@H+](Cc1cccnc1)CC21CCN(c2ncccn2)CC1 ZINC000306131739 568894028 /nfs/dbraw/zinc/89/40/28/568894028.db2.gz KOMBBXRWRXGHJD-UHFFFAOYSA-N 1 1 417.561 3.511 40 0 HHABMO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cccnc1)CC21CCN(c2ncccn2)CC1 ZINC000306131739 568894030 /nfs/dbraw/zinc/89/40/30/568894030.db2.gz KOMBBXRWRXGHJD-UHFFFAOYSA-N 1 1 417.561 3.511 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]32)cs1 ZINC000306132392 568894699 /nfs/dbraw/zinc/89/46/99/568894699.db2.gz LHJBXLIJPHENTM-PMACEKPBSA-N 1 1 412.946 3.988 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccc(Cl)cc4)C[C@@H]32)cs1 ZINC000306132392 568894700 /nfs/dbraw/zinc/89/47/00/568894700.db2.gz LHJBXLIJPHENTM-PMACEKPBSA-N 1 1 412.946 3.988 40 0 HHABMO Cc1ccsc1C(=O)N1CCN(C)[C@H](c2[nH+]cn3cc(-c4cccnc4)ccc23)C1 ZINC000306133485 568895726 /nfs/dbraw/zinc/89/57/26/568895726.db2.gz MMZOKMQZNUVCQO-FQEVSTJZSA-N 1 1 417.538 3.895 40 0 HHABMO CN1CCN(C(=O)c2ccsc2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306137682 568899536 /nfs/dbraw/zinc/89/95/36/568899536.db2.gz RDBNUIPDSLVGEZ-FQEVSTJZSA-N 1 1 403.511 3.587 40 0 HHABMO Cc1cnc(C(=O)N[C@H]2CCCC[C@@]23C[N@@H+](C[C@@H]2CCC(C)=C[C@@H]2C)CCO3)cn1 ZINC000306139183 568900875 /nfs/dbraw/zinc/90/08/75/568900875.db2.gz SRMVJUOZJKXZBS-UYLMIGBBSA-N 1 1 412.578 3.521 40 0 HHABMO COc1cccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306143899 568905209 /nfs/dbraw/zinc/90/52/09/568905209.db2.gz YQCVWYAJPQQNCV-RCZVLFRGSA-N 1 1 422.573 3.701 40 0 HHABMO CCOC(=O)[C@@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000248341458 569316778 /nfs/dbraw/zinc/31/67/78/569316778.db2.gz ZBQHRWZVSMTWRZ-UZUQRXQVSA-N 1 1 416.493 3.705 40 0 HHABMO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)C[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000019496522 569345574 /nfs/dbraw/zinc/34/55/74/569345574.db2.gz IVJYZQQPTKUMQX-MKZXLKEFSA-N 1 1 400.563 3.824 40 0 HHABMO CNC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CC[N@@H+](Cc2cnc(C)s2)C1 ZINC000019703583 569347538 /nfs/dbraw/zinc/34/75/38/569347538.db2.gz ADNVGRIJMORDNE-QFIPXVFZSA-N 1 1 410.543 3.596 40 0 HHABMO Cc1nn2c(nccc2[C@@H]2CCN(C(=O)CCC3CCCC3)C2)c1Cn1cc[nH+]c1C ZINC000019707604 569347925 /nfs/dbraw/zinc/34/79/25/569347925.db2.gz XFIUCKWXGJGBPN-HXUWFJFHSA-N 1 1 420.561 3.877 40 0 HHABMO Cn1nccc1C[N@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1C(F)(F)F ZINC000019713316 569348361 /nfs/dbraw/zinc/34/83/61/569348361.db2.gz ODJFZVWUDHQABU-RTBURBONSA-N 1 1 406.452 3.595 40 0 HHABMO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000019703462 569428748 /nfs/dbraw/zinc/42/87/48/569428748.db2.gz ZGZUUGKLGZFBOA-DEOSSOPVSA-N 1 1 405.498 3.531 40 0 HHABMO O=C(Nc1ccccc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008298323 571037453 /nfs/dbraw/zinc/03/74/53/571037453.db2.gz GVJQUGKOTMFGIV-PTUXOGIPSA-N 1 1 407.562 3.750 40 0 biogenic,in-vitro HHABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](Cc4ccc(OC)cc4)C3)nc2c1 ZINC000049169102 291250200 /nfs/dbraw/zinc/25/02/00/291250200.db2.gz UXGLRHSLZYCSJX-INIZCTEOSA-N 1 1 400.500 3.620 40 0 biogenic,in-vitro HHABMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)CO[C@@H]1C[C@@H]3CC[C@@]1(C)C3(C)C)CC2 ZINC000032594513 523031874 /nfs/dbraw/zinc/03/18/74/523031874.db2.gz DHFDBTZMHIWGFB-JDKSZYQJSA-N 1 1 403.563 3.654 40 0 HHABMO O=c1cc(N2C3=[N+](C[C@]2(O)c2ccc(Cl)cc2)CCCCC3)[nH]n1-c1ccccc1 ZINC000044033618 526960576 /nfs/dbraw/zinc/96/05/76/526960576.db2.gz CXYRHXUNUCWMLQ-QHCPKHFHSA-N 1 1 423.924 3.536 40 0 HHABMO Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC000408626404 557559409 /nfs/dbraw/zinc/55/94/09/557559409.db2.gz HACUGSUOLJNBCC-UHFFFAOYSA-N 1 1 402.951 3.527 40 0 HHABMO Cc1cc2ncc(C[NH+](C)C)c([C@H]3CCCN3C(=O)CCc3ccc(F)cc3)n2n1 ZINC000019743578 558264197 /nfs/dbraw/zinc/26/41/97/558264197.db2.gz QDJPXAYJPFXXRN-HXUWFJFHSA-N 1 1 409.509 3.535 40 0 HHABMO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@H+]2C2CCOCC2)nc1C ZINC000019753423 558272784 /nfs/dbraw/zinc/27/27/84/558272784.db2.gz YPYQGRYKXNIROT-FQEVSTJZSA-N 1 1 410.518 3.752 40 0 HHABMO COc1cc(C(=O)N2CCC[C@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)ccn1 ZINC000012088147 558322803 /nfs/dbraw/zinc/32/28/03/558322803.db2.gz LJNAQJWHUUAQKC-KRWDZBQOSA-N 1 1 407.518 3.968 40 0 HHABMO CCOc1cc2c(cc1C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ccccn1)O[C@H](C)C2 ZINC000012135196 558333542 /nfs/dbraw/zinc/33/35/42/558333542.db2.gz SLQLSONPABPDES-RGRJCUODSA-N 1 1 408.542 3.923 40 0 HHABMO C[N@H+](Cc1cc(-c2ccc(F)cc2)c[nH]c1=O)C[C@@H](O)Cn1ccc2ccccc21 ZINC000012144080 558335633 /nfs/dbraw/zinc/33/56/33/558335633.db2.gz ICTBMDLLTRVHEH-JOCHJYFZSA-N 1 1 405.473 3.629 40 0 HHABMO COc1cc(C[N@H+]2CC[C@@](O)(c3ccccc3)C2)ccc1OCc1c(C)noc1C ZINC000012241335 558360375 /nfs/dbraw/zinc/36/03/75/558360375.db2.gz IBIOWXHAVJVBHT-DEOSSOPVSA-N 1 1 408.498 3.973 40 0 HHABMO CCOc1cc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)c(C)cc1OC ZINC000012275486 558363910 /nfs/dbraw/zinc/36/39/10/558363910.db2.gz ARLHFSLWQDLOIQ-KRWDZBQOSA-N 1 1 409.534 3.715 40 0 HHABMO COc1ccccc1N1CCN(C(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000020494081 558379557 /nfs/dbraw/zinc/37/95/57/558379557.db2.gz ZQZBESPFWFKIIH-FQEVSTJZSA-N 1 1 407.558 3.890 40 0 HHABMO CCC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2OC)C1 ZINC000012365818 558388094 /nfs/dbraw/zinc/38/80/94/558388094.db2.gz ITGGQNYEZHBJLS-BEFAXECRSA-N 1 1 403.548 3.640 40 0 HHABMO CCC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2OC)C1 ZINC000012365821 558388339 /nfs/dbraw/zinc/38/83/39/558388339.db2.gz ITGGQNYEZHBJLS-HNAYVOBHSA-N 1 1 403.548 3.640 40 0 HHABMO COc1ccc(C[N@@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cc1OC ZINC000012667133 558445346 /nfs/dbraw/zinc/44/53/46/558445346.db2.gz NTTFDBYNDKYQPX-UHFFFAOYSA-N 1 1 420.469 3.579 40 0 HHABMO COc1ccc(C[N@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cc1OC ZINC000012667133 558445349 /nfs/dbraw/zinc/44/53/49/558445349.db2.gz NTTFDBYNDKYQPX-UHFFFAOYSA-N 1 1 420.469 3.579 40 0 HHABMO COc1cc(CNCC[NH+](C)C)cc(Br)c1OCc1ccccc1F ZINC000022075625 558462446 /nfs/dbraw/zinc/46/24/46/558462446.db2.gz KTHGPXSHQUFBGI-UHFFFAOYSA-N 1 1 411.315 3.827 40 0 HHABMO NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000030946318 558746449 /nfs/dbraw/zinc/74/64/49/558746449.db2.gz ODPSASIGGXCQSB-UHFFFAOYSA-N 1 1 406.313 3.943 40 0 HHABMO Cc1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000036752906 558803016 /nfs/dbraw/zinc/80/30/16/558803016.db2.gz FBQPBSHKLNGLOW-KRWDZBQOSA-N 1 1 411.575 3.619 40 0 HHABMO COc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000038848974 558818487 /nfs/dbraw/zinc/81/84/87/558818487.db2.gz BNMDRQRVHVRAHO-IBGZPJMESA-N 1 1 416.949 3.928 40 0 HHABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2c(C)cc4ccncc42)C3)cc1OC ZINC000019127136 558844699 /nfs/dbraw/zinc/84/46/99/558844699.db2.gz UBZMIASPQGDSMK-KEVCNVLYSA-N 1 1 421.541 3.920 40 0 HHABMO COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccccc1Cn1cc[nH+]c1C)CC3 ZINC000019288233 558861168 /nfs/dbraw/zinc/86/11/68/558861168.db2.gz NUQGCEKYLLPUII-UHFFFAOYSA-N 1 1 400.482 3.928 40 0 HHABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000019290169 558862647 /nfs/dbraw/zinc/86/26/47/558862647.db2.gz XJGJKLADMPNRNH-IBGZPJMESA-N 1 1 420.536 3.996 40 0 HHABMO Fc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019333964 558869209 /nfs/dbraw/zinc/86/92/09/558869209.db2.gz APDWSLHLGXIDTD-SFHVURJKSA-N 1 1 406.509 3.986 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1)c1cccc(F)c1 ZINC000019400433 558883164 /nfs/dbraw/zinc/88/31/64/558883164.db2.gz KJUIGHUOUUAGGZ-NFBKMPQASA-N 1 1 409.505 3.751 40 0 HHABMO C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019496466 558895557 /nfs/dbraw/zinc/89/55/57/558895557.db2.gz JZHKIHJEYCITOI-OLMNPRSZSA-N 1 1 404.967 3.633 40 0 HHABMO C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019496466 558895558 /nfs/dbraw/zinc/89/55/58/558895558.db2.gz JZHKIHJEYCITOI-OLMNPRSZSA-N 1 1 404.967 3.633 40 0 HHABMO CC[C@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019499823 558897729 /nfs/dbraw/zinc/89/77/29/558897729.db2.gz ADSQQGFMIKJEGU-HOTGVXAUSA-N 1 1 414.575 3.554 40 0 HHABMO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1CO ZINC000019533662 558913271 /nfs/dbraw/zinc/91/32/71/558913271.db2.gz IRVQCTFRAQSZNP-NRFANRHFSA-N 1 1 420.513 3.862 40 0 HHABMO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1CO ZINC000019533662 558913273 /nfs/dbraw/zinc/91/32/73/558913273.db2.gz IRVQCTFRAQSZNP-NRFANRHFSA-N 1 1 420.513 3.862 40 0 HHABMO Cc1nn(C[C@@H](C)C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)c(C)c1C ZINC000019556998 558919249 /nfs/dbraw/zinc/91/92/49/558919249.db2.gz WQIWHSVCZVHFLB-MRXNPFEDSA-N 1 1 422.577 3.956 40 0 HHABMO COc1ccccc1C[N@H+]1CC[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 ZINC000019570025 558928974 /nfs/dbraw/zinc/92/89/74/558928974.db2.gz HCQJXMHRFXTDBK-RUZDIDTESA-N 1 1 401.510 3.677 40 0 HHABMO Cc1noc(C)c1C(=O)N1C[C@H](c2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCCC[C@H]21 ZINC000019580139 558935830 /nfs/dbraw/zinc/93/58/30/558935830.db2.gz DGOCATLQKXNCEP-DNVJHFABSA-N 1 1 423.557 3.922 40 0 HHABMO COc1ccnc(C[N@H+]2CCC[C@@H](c3nc(C)ncc3-c3ccncc3)C2)c1OC ZINC000072334718 558935856 /nfs/dbraw/zinc/93/58/56/558935856.db2.gz YWBXXEJLLFHISX-GOSISDBHSA-N 1 1 405.502 3.639 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)C[N@H+](Cc2cccnc2)CCO1 ZINC000019580908 558936446 /nfs/dbraw/zinc/93/64/46/558936446.db2.gz BPWSGJIUTIUBMK-SANMLTNESA-N 1 1 415.537 3.651 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)C[N@@H+](Cc2cccnc2)CCO1 ZINC000019580908 558936449 /nfs/dbraw/zinc/93/64/49/558936449.db2.gz BPWSGJIUTIUBMK-SANMLTNESA-N 1 1 415.537 3.651 40 0 HHABMO COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000019581514 558937214 /nfs/dbraw/zinc/93/72/14/558937214.db2.gz SOYWDOWPVDQDAR-YADHBBJMSA-N 1 1 424.932 3.849 40 0 HHABMO COc1ccccc1C[N@H+]1CCC[C@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019584451 558938408 /nfs/dbraw/zinc/93/84/08/558938408.db2.gz WSHQXMRBELCQGR-IBGZPJMESA-N 1 1 403.530 3.993 40 0 HHABMO COc1ccccc1Cc1cccc(C2CC[NH+](CC(=O)Nc3ccccn3)CC2)n1 ZINC000072349550 558946406 /nfs/dbraw/zinc/94/64/06/558946406.db2.gz GJYUUHXDPKQSMA-UHFFFAOYSA-N 1 1 416.525 3.894 40 0 HHABMO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2ccc(Nc3ncccc3C)cn2)cn1 ZINC000072353190 558949822 /nfs/dbraw/zinc/94/98/22/558949822.db2.gz MEZLUCFNTPIQRW-NRFANRHFSA-N 1 1 404.518 3.845 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2ccc(Nc3ncccc3C)cn2)cn1 ZINC000072353190 558949826 /nfs/dbraw/zinc/94/98/26/558949826.db2.gz MEZLUCFNTPIQRW-NRFANRHFSA-N 1 1 404.518 3.845 40 0 HHABMO COc1ccccc1C1=NO[C@](C)(C(=O)Nc2ccccc2Cn2cc[nH+]c2C)C1 ZINC000019660965 558952158 /nfs/dbraw/zinc/95/21/58/558952158.db2.gz PJJIRZRNQAZOJZ-QHCPKHFHSA-N 1 1 404.470 3.770 40 0 HHABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1ccc(C(=O)NCc2ccc(F)cc2)c(C)n1 ZINC000072371187 558957847 /nfs/dbraw/zinc/95/78/47/558957847.db2.gz ZKHFXWDNIDLATP-QHCPKHFHSA-N 1 1 421.520 3.838 40 0 HHABMO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1ccc(C(=O)NCc2ccc(F)cc2)c(C)n1 ZINC000072371187 558957850 /nfs/dbraw/zinc/95/78/50/558957850.db2.gz ZKHFXWDNIDLATP-QHCPKHFHSA-N 1 1 421.520 3.838 40 0 HHABMO C[N@H+]1CCC[C@@H](c2cccc(CC3(C(=O)NCc4ccccn4)CCOCC3)c2)C1 ZINC000072372250 558959464 /nfs/dbraw/zinc/95/94/64/558959464.db2.gz BIKCJRINNKMJFJ-JOCHJYFZSA-N 1 1 407.558 3.547 40 0 HHABMO Cc1cccnc1CNC(=O)C1(Cc2cccc([C@@H]3CCC[N@H+](C)C3)c2)CCOCC1 ZINC000072372269 558959482 /nfs/dbraw/zinc/95/94/82/558959482.db2.gz ZSZXYEPTPWCZOB-HSZRJFAPSA-N 1 1 421.585 3.855 40 0 HHABMO CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(Nc2nc(C)cs2)cc(C)[nH+]1 ZINC000072372535 558960103 /nfs/dbraw/zinc/96/01/03/558960103.db2.gz OACLBKARTRAUSN-KRWDZBQOSA-N 1 1 409.581 3.622 40 0 HHABMO O=C(CC[NH+]1CCCC1)N1CCC[C@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1 ZINC000072374533 558962096 /nfs/dbraw/zinc/96/20/96/558962096.db2.gz SJVOHQWHISTWGS-NRFANRHFSA-N 1 1 418.545 3.719 40 0 HHABMO O=C(NCCO)c1sc2ccccc2c1[C@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000019697853 558965457 /nfs/dbraw/zinc/96/54/57/558965457.db2.gz AQNOUYSHAHHHPG-GOSISDBHSA-N 1 1 402.560 3.577 40 0 HHABMO O=C(NCCO)c1sc2ccccc2c1[C@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000019697853 558965459 /nfs/dbraw/zinc/96/54/59/558965459.db2.gz AQNOUYSHAHHHPG-GOSISDBHSA-N 1 1 402.560 3.577 40 0 HHABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(Cl)c(Cl)c4)C[C@H]32)c(OC)n1 ZINC000072392589 558972450 /nfs/dbraw/zinc/97/24/50/558972450.db2.gz PJIDDNPZCHITPG-XBHMSOGKSA-N 1 1 424.328 3.530 40 0 HHABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1OC ZINC000072393082 558972819 /nfs/dbraw/zinc/97/28/19/558972819.db2.gz OYWOELBBDPNZCE-IBGZPJMESA-N 1 1 420.513 3.619 40 0 HHABMO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2cncn2CC)C1 ZINC000072394094 558973582 /nfs/dbraw/zinc/97/35/82/558973582.db2.gz BDPPFMLIPZQFBZ-DEOSSOPVSA-N 1 1 422.529 3.946 40 0 HHABMO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)C[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000257367402 559017870 /nfs/dbraw/zinc/01/78/70/559017870.db2.gz IVJYZQQPTKUMQX-UQXHYBKOSA-N 1 1 400.563 3.824 40 0 HHABMO Cc1nc(CN2C(=O)CC[C@]23CCC[N@@H+](Cc2nc4ccccn4c2C)CC3)cs1 ZINC000585100845 559025537 /nfs/dbraw/zinc/02/55/37/559025537.db2.gz YPCFGTYINNPFGQ-QHCPKHFHSA-N 1 1 423.586 3.955 40 0 HHABMO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000585102972 559026273 /nfs/dbraw/zinc/02/62/73/559026273.db2.gz ADQTUKQBTYWPNM-JOCHJYFZSA-N 1 1 407.558 3.787 40 0 HHABMO O=S(=O)(Cc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000096080567 559095004 /nfs/dbraw/zinc/09/50/04/559095004.db2.gz GVMAZDHTCQVSIT-LOSJGSFVSA-N 1 1 418.562 4.000 40 0 HHABMO O=S(=O)(Cc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000096080567 559095005 /nfs/dbraw/zinc/09/50/05/559095005.db2.gz GVMAZDHTCQVSIT-LOSJGSFVSA-N 1 1 418.562 4.000 40 0 HHABMO Cc1ccc(NC(=O)c2ccc3nnc([C@@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)nc1 ZINC000096156168 559100243 /nfs/dbraw/zinc/10/02/43/559100243.db2.gz PLSRELIQVISAOE-LJQANCHMSA-N 1 1 412.497 3.675 40 0 HHABMO O=C1CCCC[C@]2(C[N@@H+](CCOc3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)N1 ZINC000585261765 559109379 /nfs/dbraw/zinc/10/93/79/559109379.db2.gz IGNLCYXPSYPNFD-JTHBVZDNSA-N 1 1 400.469 3.872 40 0 HHABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000585261873 559109547 /nfs/dbraw/zinc/10/95/47/559109547.db2.gz FTBBTDMAQXSBQA-SANMLTNESA-N 1 1 415.537 3.940 40 0 HHABMO CC(=O)N1CCC([N@H+]2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000585281714 559119376 /nfs/dbraw/zinc/11/93/76/559119376.db2.gz PZULPIDHAMHPNA-HXUWFJFHSA-N 1 1 415.361 3.600 40 0 HHABMO O=C1N(CCc2ccccc2)CC=CC[C@@]12C[N@@H+](Cc1ccc3[nH]ccc3c1)CCO2 ZINC000257217416 559282719 /nfs/dbraw/zinc/28/27/19/559282719.db2.gz CYVODJOWKGVSOL-AREMUKBSSA-N 1 1 415.537 3.770 40 0 HHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccc(Br)cc1 ZINC000143256544 560541754 /nfs/dbraw/zinc/54/17/54/560541754.db2.gz BFYNQMRHHVOCFX-UHFFFAOYSA-N 1 1 400.276 3.638 40 0 HHABMO Cc1nc2cc(C(F)(F)F)ccc2n1C1CC[NH+](CC(=O)NCc2ccco2)CC1 ZINC000004858292 560612127 /nfs/dbraw/zinc/61/21/27/560612127.db2.gz FDCUJVZKRZRDRC-UHFFFAOYSA-N 1 1 420.435 3.910 40 0 HHABMO O=C(C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)Nc1cccc2ccccc21 ZINC000004909174 560618044 /nfs/dbraw/zinc/61/80/44/560618044.db2.gz KECFCMPNXADNEV-UHFFFAOYSA-N 1 1 405.473 3.812 40 0 HHABMO CC[NH+]1CCN(c2nc3c(c(-c4ccc(OC)cc4)n2)C(=O)c2ccccc2-3)CC1 ZINC000017081903 560861965 /nfs/dbraw/zinc/86/19/65/560861965.db2.gz NRWRDPSLAUQTGB-UHFFFAOYSA-N 1 1 400.482 3.506 40 0 HHABMO Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020139302 560880981 /nfs/dbraw/zinc/88/09/81/560880981.db2.gz XYSIXTFHSQMBEJ-JOCHJYFZSA-N 1 1 404.562 3.644 40 0 HHABMO c1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020140940 560881440 /nfs/dbraw/zinc/88/14/40/560881440.db2.gz NIKUGIVXOLBYIT-VWLOTQADSA-N 1 1 424.552 3.629 40 0 HHABMO C[C@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224734008 568594108 /nfs/dbraw/zinc/59/41/08/568594108.db2.gz XAMRQMBNKSUVNX-IBGZPJMESA-N 1 1 404.510 3.756 40 0 HHABMO COc1cccc(-c2noc(CN(C)C(=O)c3ccc(Cn4cc[nH+]c4C)cc3)n2)c1 ZINC000225300309 568628512 /nfs/dbraw/zinc/62/85/12/568628512.db2.gz PSIAHWVKNOMBOC-UHFFFAOYSA-N 1 1 417.469 3.571 40 0 HHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1cccc(N2CCCC2=O)c1 ZINC000225451521 568638911 /nfs/dbraw/zinc/63/89/11/568638911.db2.gz LUNMWQIFHTYZQK-UHFFFAOYSA-N 1 1 405.527 3.794 40 0 HHABMO O=C(NCc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225580383 568653817 /nfs/dbraw/zinc/65/38/17/568653817.db2.gz RGKCXALCGZARCP-UHFFFAOYSA-N 1 1 404.869 3.736 40 0 HHABMO C[C@H]1CCC[N@@H+](CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)C1 ZINC000225588112 568655150 /nfs/dbraw/zinc/65/51/50/568655150.db2.gz GEDYOODNJVDOHK-KRWDZBQOSA-N 1 1 409.977 3.929 40 0 HHABMO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225735201 568669434 /nfs/dbraw/zinc/66/94/34/568669434.db2.gz ZHLGAAFZGARCEZ-HSZRJFAPSA-N 1 1 406.567 3.958 40 0 HHABMO Cc1cc(C)nc(Nc2ccccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000225918256 568685982 /nfs/dbraw/zinc/68/59/82/568685982.db2.gz MFVDXKFIGWSWKD-UHFFFAOYSA-N 1 1 401.514 3.795 40 0 HHABMO O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000260905704 568743837 /nfs/dbraw/zinc/74/38/37/568743837.db2.gz RSQTYRNRDQDHSS-ZWKOTPCHSA-N 1 1 400.906 3.508 40 0 HHABMO COc1ccc([C@@H]2C[N@H+](Cc3cccc(Oc4ncccn4)c3)CCN2C(C)=O)cc1 ZINC000257214823 568780473 /nfs/dbraw/zinc/78/04/73/568780473.db2.gz CNNZRTMYZCHBNL-QHCPKHFHSA-N 1 1 418.497 3.683 40 0 HHABMO COc1ccc([C@@H]2C[N@@H+](Cc3cccc(Oc4ncccn4)c3)CCN2C(C)=O)cc1 ZINC000257214823 568780475 /nfs/dbraw/zinc/78/04/75/568780475.db2.gz CNNZRTMYZCHBNL-QHCPKHFHSA-N 1 1 418.497 3.683 40 0 HHABMO Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(C(=O)c3cc(C(C)C)n[nH]3)CCO2)[nH+]1 ZINC000257217575 568781249 /nfs/dbraw/zinc/78/12/49/568781249.db2.gz CZOFIEFBNGSLNT-NRFANRHFSA-N 1 1 420.517 3.897 40 0 HHABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccc(=O)[nH]1 ZINC000257222756 568782806 /nfs/dbraw/zinc/78/28/06/568782806.db2.gz DUPHNHCKKASZSM-YLYPHGCXSA-N 1 1 405.542 3.876 40 0 HHABMO Cn1nc([C@H]2C[N@H+](CCc3ccccc3)CCO2)cc1CCOc1ccccc1F ZINC000257224041 568783134 /nfs/dbraw/zinc/78/31/34/568783134.db2.gz FABFMGHCMAJQHK-XMMPIXPASA-N 1 1 409.505 3.797 40 0 HHABMO Cn1nc([C@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1CCOc1ccccc1F ZINC000257224041 568783136 /nfs/dbraw/zinc/78/31/36/568783136.db2.gz FABFMGHCMAJQHK-XMMPIXPASA-N 1 1 409.505 3.797 40 0 HHABMO Cc1[nH+]ccn1CC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 ZINC000257226855 568783945 /nfs/dbraw/zinc/78/39/45/568783945.db2.gz FMLMENQJFHELCI-GHTZIAJQSA-N 1 1 415.921 3.766 40 0 HHABMO NC(=O)c1cccc(-c2cccc([C@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)c1 ZINC000257230697 568785172 /nfs/dbraw/zinc/78/51/72/568785172.db2.gz GDLZEESWZDIWHP-RUZDIDTESA-N 1 1 424.504 3.969 40 0 HHABMO c1cnc2c(c1)cccc2C[C@H]1COCC[N@@H+](Cc2ccnc(N3CCCCC3)n2)C1 ZINC000257313997 568808351 /nfs/dbraw/zinc/80/83/51/568808351.db2.gz UUYWLFGBPYAGMF-HXUWFJFHSA-N 1 1 417.557 3.706 40 0 HHABMO COc1ccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306131787 568894039 /nfs/dbraw/zinc/89/40/39/568894039.db2.gz KPTGHWJOPKTPSZ-DHLKQENFSA-N 1 1 422.573 3.701 40 0 HHABMO Cc1ccc(C[N@@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)s1 ZINC000306134770 568896743 /nfs/dbraw/zinc/89/67/43/568896743.db2.gz NXTRKLYOYOUWNP-NRFANRHFSA-N 1 1 404.543 3.650 40 0 HHABMO COc1ccccc1C[N@H+]1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136585 568898477 /nfs/dbraw/zinc/89/84/77/568898477.db2.gz PXNVXXBFUVDWLA-PXDATVDWSA-N 1 1 422.573 3.701 40 0 HHABMO CN1CCN(C(=O)c2ccccc2F)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306138275 568900094 /nfs/dbraw/zinc/90/00/94/568900094.db2.gz RTYITWDZSNVIRU-QFIPXVFZSA-N 1 1 415.472 3.664 40 0 HHABMO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)nn2c1 ZINC000306139377 568901365 /nfs/dbraw/zinc/90/13/65/568901365.db2.gz SVQHNWXWVPBPSK-GOSISDBHSA-N 1 1 420.492 3.657 40 0 HHABMO COc1cccc(-c2cnc3c(N4CC[NH+](Cc5ccsc5)CC4)nccn23)c1 ZINC000306141925 568903517 /nfs/dbraw/zinc/90/35/17/568903517.db2.gz WKJBMPHRSQGLTN-UHFFFAOYSA-N 1 1 405.527 3.789 40 0 HHABMO CN1CCN(C(=O)Cc2cccs2)C[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306142958 568904446 /nfs/dbraw/zinc/90/44/46/568904446.db2.gz XPDZISMZNRUMJU-OAQYLSRUSA-N 1 1 417.538 3.516 40 0 HHABMO CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]1 ZINC000328974754 568970652 /nfs/dbraw/zinc/97/06/52/568970652.db2.gz FGMCYTPVXHZOAP-FQEVSTJZSA-N 1 1 412.578 3.819 40 0 HHABMO CC(C)[C@H](CO)Nc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329031314 568973646 /nfs/dbraw/zinc/97/36/46/568973646.db2.gz QINOUEMIOVOCFA-NRFANRHFSA-N 1 1 410.562 3.573 40 0 HHABMO Cc1ccc(C23C[C@H]4C[C@H](CC(NC(=O)NCCC[NH+]5CCOCC5)(C4)C2)C3)cc1 ZINC000015911941 569020902 /nfs/dbraw/zinc/02/09/02/569020902.db2.gz NOJFRCBPGIEMHR-JUJAOGAQSA-N 1 1 411.590 3.607 40 0 HHABMO Cc1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)sc2[nH]cnc(=O)c12 ZINC000257198913 569058961 /nfs/dbraw/zinc/05/89/61/569058961.db2.gz LPPMVEHGZWXTBA-DODZYUBVSA-N 1 1 424.570 3.741 40 0 HHABMO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000253594129 569318159 /nfs/dbraw/zinc/31/81/59/569318159.db2.gz OHARHGKLGGCDRI-BSWQBHCVSA-N 1 1 423.557 3.511 40 0 HHABMO C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000253591146 569318211 /nfs/dbraw/zinc/31/82/11/569318211.db2.gz KGTBTABUXNEZMY-BJZITVGISA-N 1 1 412.559 3.512 40 0 HHABMO C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000253591146 569318212 /nfs/dbraw/zinc/31/82/12/569318212.db2.gz KGTBTABUXNEZMY-BJZITVGISA-N 1 1 412.559 3.512 40 0 HHABMO Cc1ccccc1C[N@H+]1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 ZINC000019700900 569428673 /nfs/dbraw/zinc/42/86/73/569428673.db2.gz VEHRKLJMDDBCPO-SANMLTNESA-N 1 1 415.537 3.520 40 0 HHABMO Fc1ccc2c(c1)nc1n2[C@@H](C[NH+](Cc2ccccn2)Cc2ccccn2)COC1 ZINC000096112419 291258200 /nfs/dbraw/zinc/25/82/00/291258200.db2.gz SPCSDECAZMZUDG-FQEVSTJZSA-N 1 1 403.461 3.739 40 0 biogenic,in-vitro HHABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)cc3)cc2Cl)CC1 ZINC000006241930 132309833 /nfs/dbraw/zinc/30/98/33/132309833.db2.gz JPWGDTQSHZIFQP-UHFFFAOYSA-N 1 1 416.978 3.917 40 0 HHABMO C[NH+](C)CCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000328981945 521775292 /nfs/dbraw/zinc/77/52/92/521775292.db2.gz GWXRHXRFYGHDMH-UHFFFAOYSA-N 1 1 418.328 3.717 40 0 HHABMO COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044908576 524967345 /nfs/dbraw/zinc/96/73/45/524967345.db2.gz VOONAAFNEOAFQK-IEBWSBKVSA-N 1 1 400.494 3.630 40 0 HHABMO Cn1c2ccc(C[N@@H+](CCCn3ccnc3)Cc3ccccc3Cl)cc2n(C)c1=O ZINC000043277791 527100105 /nfs/dbraw/zinc/10/01/05/527100105.db2.gz WAFDXTYGZIUOJA-UHFFFAOYSA-N 1 1 423.948 3.819 40 0 HHABMO COc1ccccc1CN1C(=O)CCc2c(C)nc([C@H]3CCC[N@@H+]3CC3CC3)nc21 ZINC000019740403 558261337 /nfs/dbraw/zinc/26/13/37/558261337.db2.gz XHLBZLAVLZRUNJ-HXUWFJFHSA-N 1 1 406.530 3.820 40 0 HHABMO COc1ccccc1CN1C(=O)CCc2c(C)nc([C@H]3CCC[N@H+]3CC3CC3)nc21 ZINC000019740403 558261338 /nfs/dbraw/zinc/26/13/38/558261338.db2.gz XHLBZLAVLZRUNJ-HXUWFJFHSA-N 1 1 406.530 3.820 40 0 HHABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766359 558278739 /nfs/dbraw/zinc/27/87/39/558278739.db2.gz WRYPSYLBOWIMRR-FQEVSTJZSA-N 1 1 419.504 3.629 40 0 HHABMO CCc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000020512051 558382253 /nfs/dbraw/zinc/38/22/53/558382253.db2.gz JZEZEETUCWXTFZ-UHFFFAOYSA-N 1 1 417.347 3.735 40 0 HHABMO NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000030946320 558746429 /nfs/dbraw/zinc/74/64/29/558746429.db2.gz KLMREPRNSZKAIJ-UHFFFAOYSA-N 1 1 406.313 3.943 40 0 HHABMO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(Cc2ccccc2F)CC1 ZINC000038831417 558816684 /nfs/dbraw/zinc/81/66/84/558816684.db2.gz YGDJQDNZSNJHGQ-UHFFFAOYSA-N 1 1 409.549 3.950 40 0 HHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc2)C1 ZINC000038831714 558816955 /nfs/dbraw/zinc/81/69/55/558816955.db2.gz JNWJXDMZEQBVJP-NRFANRHFSA-N 1 1 421.585 3.681 40 0 HHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)cc2)C1 ZINC000038856621 558819411 /nfs/dbraw/zinc/81/94/11/558819411.db2.gz UQFMOLPJYOLXIL-QGZVFWFLSA-N 1 1 415.559 3.567 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cc1 ZINC000019019596 558837543 /nfs/dbraw/zinc/83/75/43/558837543.db2.gz QUCPNANEXSEAES-CPJSRVTESA-N 1 1 424.541 3.726 40 0 HHABMO Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)c(C)c1 ZINC000019132761 558845614 /nfs/dbraw/zinc/84/56/14/558845614.db2.gz ISQKABFSZHBAND-GCJKJVERSA-N 1 1 409.530 3.903 40 0 HHABMO Cc1ccc(-c2ccccc2C[C@@H]2C[N@@H+](Cc3cnc(C)nc3)CCNC2=O)c(C)c1 ZINC000019132890 558845836 /nfs/dbraw/zinc/84/58/36/558845836.db2.gz LHJYFYXBFURBAX-HSZRJFAPSA-N 1 1 414.553 3.860 40 0 HHABMO Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019209723 558848040 /nfs/dbraw/zinc/84/80/40/558848040.db2.gz YWHNCRFMMXMLFY-OAQYLSRUSA-N 1 1 408.546 3.553 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000019235043 558854116 /nfs/dbraw/zinc/85/41/16/558854116.db2.gz CWCQCFWGISCEPV-AREMUKBSSA-N 1 1 415.537 3.617 40 0 HHABMO Cc1ccccc1OC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccn3)C2)C1 ZINC000019237336 558856405 /nfs/dbraw/zinc/85/64/05/558856405.db2.gz KVWQKKCKLKMUGY-GOTSBHOMSA-N 1 1 421.585 3.962 40 0 HHABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CC[C@H](c2nc(C(C)C)cc(C(F)(F)F)n2)C1 ZINC000019287662 558861023 /nfs/dbraw/zinc/86/10/23/558861023.db2.gz GHXXKJOUKYMICV-ZFWWWQNUSA-N 1 1 409.456 3.776 40 0 HHABMO O=c1c2ccccc2ncn1CC1(O)CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000019375927 558882166 /nfs/dbraw/zinc/88/21/66/558882166.db2.gz FAZTZROPHUAGJF-UHFFFAOYSA-N 1 1 418.324 3.730 40 0 HHABMO CC(C)[N@@H+](Cc1ccccc1)CC1(O)CCN(C(=O)c2cnc(C(C)(C)C)nc2)CC1 ZINC000019447617 558886761 /nfs/dbraw/zinc/88/67/61/558886761.db2.gz FUTDULWZCQLGGS-UHFFFAOYSA-N 1 1 424.589 3.652 40 0 HHABMO CCN1CC[N@@H+](Cc2ccccn2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527449 558908692 /nfs/dbraw/zinc/90/86/92/558908692.db2.gz RGBJALRINFTFRA-QHCPKHFHSA-N 1 1 400.526 3.667 40 0 HHABMO CCNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019529192 558910771 /nfs/dbraw/zinc/91/07/71/558910771.db2.gz AVBKSVLQMZCOKL-RUZDIDTESA-N 1 1 402.542 3.658 40 0 HHABMO CCOC(=O)[C@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000019530035 558911272 /nfs/dbraw/zinc/91/12/72/558911272.db2.gz ZBQHRWZVSMTWRZ-SBUREZEXSA-N 1 1 416.493 3.705 40 0 HHABMO CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)ccc1OC ZINC000019531960 558912165 /nfs/dbraw/zinc/91/21/65/558912165.db2.gz RJCCUZDTZHGAEX-YESZJQIVSA-N 1 1 421.492 3.588 40 0 HHABMO Cc1noc2nc([C@@H]3CCC[N@H+](Cc4cnc(N(C)C)nc4)C3)cc(C(F)F)c12 ZINC000019564400 558924430 /nfs/dbraw/zinc/92/44/30/558924430.db2.gz QBRGVWSAZJFCQY-CQSZACIVSA-N 1 1 402.449 3.704 40 0 HHABMO COc1cccc(OC)c1C[NH+]1CCN(c2ccccc2[C@H](O)c2cccnc2)CC1 ZINC000019567098 558926489 /nfs/dbraw/zinc/92/64/89/558926489.db2.gz MTHBCKYYHOZYHT-RUZDIDTESA-N 1 1 419.525 3.503 40 0 HHABMO CC(C)N(C(=O)C[N@H+]1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1)C(C)C ZINC000019574962 558932600 /nfs/dbraw/zinc/93/26/00/558932600.db2.gz SSKLGTXTFHBSFV-HLLBOEOZSA-N 1 1 415.504 3.625 40 0 HHABMO CN(C(=O)c1ccn(C(F)F)n1)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019590888 558940947 /nfs/dbraw/zinc/94/09/47/558940947.db2.gz ADZPFZOBDLAFSD-UHFFFAOYSA-N 1 1 404.461 3.556 40 0 HHABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019591321 558941736 /nfs/dbraw/zinc/94/17/36/558941736.db2.gz UNDYSUJQPKFDHG-VWLOTQADSA-N 1 1 400.526 3.715 40 0 HHABMO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000019591701 558942422 /nfs/dbraw/zinc/94/24/22/558942422.db2.gz XPLBDYSPNUOJMK-SANMLTNESA-N 1 1 415.537 3.938 40 0 HHABMO COc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](CC(=O)N4CCCCC4)C3)n2)c1 ZINC000072348713 558945478 /nfs/dbraw/zinc/94/54/78/558945478.db2.gz YQAGFDZYXIYSPA-OAQYLSRUSA-N 1 1 407.558 3.873 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1 ZINC000072353457 558950380 /nfs/dbraw/zinc/95/03/80/558950380.db2.gz AQAWUDXJPGXXRS-FQEVSTJZSA-N 1 1 418.545 3.887 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C2)cn1 ZINC000072353454 558950429 /nfs/dbraw/zinc/95/04/29/558950429.db2.gz RSKNVTBZDLTRCB-HXUWFJFHSA-N 1 1 418.545 3.887 40 0 HHABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072354797 558952015 /nfs/dbraw/zinc/95/20/15/558952015.db2.gz KFCFGIOYTMIFIB-KRWDZBQOSA-N 1 1 408.893 3.550 40 0 HHABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072354797 558952017 /nfs/dbraw/zinc/95/20/17/558952017.db2.gz KFCFGIOYTMIFIB-KRWDZBQOSA-N 1 1 408.893 3.550 40 0 HHABMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCC(c2ccc(-c3cncnc3)cn2)CC1 ZINC000019688124 558957656 /nfs/dbraw/zinc/95/76/56/558957656.db2.gz MNXTZIKLDGBCAE-QGZVFWFLSA-N 1 1 404.518 3.826 40 0 HHABMO CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(N)nc2)cn1)C1CCCCC1 ZINC000019688904 558958381 /nfs/dbraw/zinc/95/83/81/558958381.db2.gz HUUYSNHMBGHUQQ-JOCHJYFZSA-N 1 1 422.577 3.827 40 0 HHABMO CC(C)N(C(=O)C[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(N)nc2)cn1)C1CCCCC1 ZINC000019688904 558958382 /nfs/dbraw/zinc/95/83/82/558958382.db2.gz HUUYSNHMBGHUQQ-JOCHJYFZSA-N 1 1 422.577 3.827 40 0 HHABMO Cc1cccc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)c1 ZINC000019689671 558959243 /nfs/dbraw/zinc/95/92/43/558959243.db2.gz YHOAWKREGYUTJJ-QFIPXVFZSA-N 1 1 415.541 3.954 40 0 HHABMO O=C(C[NH+]1CCC(c2ccc(Nc3ncccn3)cn2)CC1)Nc1ccc(F)cc1 ZINC000072374179 558961467 /nfs/dbraw/zinc/96/14/67/558961467.db2.gz UWPVWDRTWVHHAI-UHFFFAOYSA-N 1 1 406.465 3.572 40 0 HHABMO COc1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000064165705 558962076 /nfs/dbraw/zinc/96/20/76/558962076.db2.gz ZAWMPHYQFCUMKA-SRVWHDFXSA-N 1 1 411.889 3.619 40 0 HHABMO COc1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000064165705 558962077 /nfs/dbraw/zinc/96/20/77/558962077.db2.gz ZAWMPHYQFCUMKA-SRVWHDFXSA-N 1 1 411.889 3.619 40 0 HHABMO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCC[N@H+]2Cc2cn(C)nc2C)cc1 ZINC000019694313 558962658 /nfs/dbraw/zinc/96/26/58/558962658.db2.gz GYXBQYSIPAMSTK-QFIPXVFZSA-N 1 1 420.561 3.987 40 0 HHABMO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)cn1 ZINC000072375767 558964659 /nfs/dbraw/zinc/96/46/59/558964659.db2.gz YBZDBDGQOAMUPC-FQEVSTJZSA-N 1 1 404.518 3.845 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)cn1 ZINC000072375767 558964661 /nfs/dbraw/zinc/96/46/61/558964661.db2.gz YBZDBDGQOAMUPC-FQEVSTJZSA-N 1 1 404.518 3.845 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cn1 ZINC000072376098 558965414 /nfs/dbraw/zinc/96/54/14/558965414.db2.gz VHFBKYBVJRECQE-FQEVSTJZSA-N 1 1 418.545 3.887 40 0 HHABMO COc1ccc(CCC(=O)N2CCC(c3cccc(-n4cc[nH+]c4C)n3)CC2)cc1 ZINC000072378935 558967760 /nfs/dbraw/zinc/96/77/60/558967760.db2.gz HHXLFSAWWBSFFI-UHFFFAOYSA-N 1 1 404.514 3.923 40 0 HHABMO COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(-n4cc[nH+]c4C)n3)C2)cc1 ZINC000072378929 558967902 /nfs/dbraw/zinc/96/79/02/558967902.db2.gz XQAREHXKQCUCQG-HXUWFJFHSA-N 1 1 404.514 3.923 40 0 HHABMO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@H](c2nc(C)c3c(n2)N(C)CCC3)C1 ZINC000019707035 558969311 /nfs/dbraw/zinc/96/93/11/558969311.db2.gz PCRVWICQLBLPKI-IBGZPJMESA-N 1 1 404.562 3.812 40 0 HHABMO CC(C)(C)C[N@H+]1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 ZINC000072389085 558969557 /nfs/dbraw/zinc/96/95/57/558969557.db2.gz CMJRTWGVGPYGGG-VWLOTQADSA-N 1 1 407.558 3.687 40 0 HHABMO COc1cccc(-c2cccc3c([C@H]4CN(c5ccc(C)nn5)CCO4)[nH+]cn32)c1 ZINC000096155875 559099951 /nfs/dbraw/zinc/09/99/51/559099951.db2.gz RLBAOQHIYPQUHG-OAQYLSRUSA-N 1 1 401.470 3.686 40 0 HHABMO COc1cccc(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCOc2ccccc2)C3)c1 ZINC000096216392 559102046 /nfs/dbraw/zinc/10/20/46/559102046.db2.gz WSRKGCKPOPOUEV-RUZDIDTESA-N 1 1 408.542 3.631 40 0 HHABMO O=S1(=O)[C@@H]2CC[N@H+](Cc3ccccc3)CC[C@@H]2CN1Cc1ccc(Cl)cc1 ZINC000096263694 559107182 /nfs/dbraw/zinc/10/71/82/559107182.db2.gz AGUIHLYCRHCPHU-TZIWHRDSSA-N 1 1 404.963 3.766 40 0 HHABMO Cc1c(F)cccc1NC(=O)C[N@H+]1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000585261786 559109392 /nfs/dbraw/zinc/10/93/92/559109392.db2.gz MCVYVYMTKXSQEG-WPWBMXPQSA-N 1 1 423.532 3.817 40 0 HHABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000585261872 559109530 /nfs/dbraw/zinc/10/95/30/559109530.db2.gz FTBBTDMAQXSBQA-AREMUKBSSA-N 1 1 415.537 3.940 40 0 HHABMO CC(=O)Nc1ccc(C[N@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cc1 ZINC000100752974 559139803 /nfs/dbraw/zinc/13/98/03/559139803.db2.gz MWGYKIODTSMCEG-UHFFFAOYSA-N 1 1 417.469 3.520 40 0 HHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cc2)C1 ZINC000113947956 559182636 /nfs/dbraw/zinc/18/26/36/559182636.db2.gz GKBTXSBYLDPFEO-FQEVSTJZSA-N 1 1 406.574 3.923 40 0 HHABMO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)C1 ZINC000113947956 559182637 /nfs/dbraw/zinc/18/26/37/559182637.db2.gz GKBTXSBYLDPFEO-FQEVSTJZSA-N 1 1 406.574 3.923 40 0 HHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)C1 ZINC000113947956 559182638 /nfs/dbraw/zinc/18/26/38/559182638.db2.gz GKBTXSBYLDPFEO-FQEVSTJZSA-N 1 1 406.574 3.923 40 0 HHABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)cc2c1 ZINC000000782384 559279194 /nfs/dbraw/zinc/27/91/94/559279194.db2.gz RXCRDMWUVHFKOW-FQEVSTJZSA-N 1 1 408.550 3.708 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@]3(CN(CCc4ccccc4)C(=O)CO3)CC2)cc1 ZINC000257314406 559282851 /nfs/dbraw/zinc/28/28/51/559282851.db2.gz UWVAKQPUGVTKAB-RUZDIDTESA-N 1 1 408.542 3.521 40 0 HHABMO Cc1cc(C)n(CCOc2ccc(C[N@@H+](C)C[C@@H](O)COC3CCCCC3)cc2)n1 ZINC000257238859 559284100 /nfs/dbraw/zinc/28/41/00/559284100.db2.gz HMVPBRYZDWGTCD-JOCHJYFZSA-N 1 1 415.578 3.721 40 0 HHABMO Cc1cccc2cc(C[N@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)c(=O)[nH]c12 ZINC000000926255 560556906 /nfs/dbraw/zinc/55/69/06/560556906.db2.gz KEGNOMXSWAFFIL-UHFFFAOYSA-N 1 1 408.550 3.913 40 0 HHABMO Cc1cccc2cc(C[N@@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)c(=O)[nH]c12 ZINC000000926255 560556907 /nfs/dbraw/zinc/55/69/07/560556907.db2.gz KEGNOMXSWAFFIL-UHFFFAOYSA-N 1 1 408.550 3.913 40 0 HHABMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000103787055 560734731 /nfs/dbraw/zinc/73/47/31/560734731.db2.gz HBIHILGQENLYSC-YRPNKDGESA-N 1 1 407.599 3.698 40 0 HHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1I ZINC000010543046 560770212 /nfs/dbraw/zinc/77/02/12/560770212.db2.gz MWUXEYKLEZNDTA-AWEZNQCLSA-N 1 1 400.304 3.676 40 0 HHABMO COc1ccc(C[N@@H+](Cc2cc3c(c(OC)c2)OCO3)C[C@@H]2CCCO2)c(OC)c1 ZINC000013994102 560831615 /nfs/dbraw/zinc/83/16/15/560831615.db2.gz YCQOJAVYWULERH-IBGZPJMESA-N 1 1 415.486 3.622 40 0 HHABMO COc1ccc(C[N@H+](Cc2cc3c(c(OC)c2)OCO3)C[C@@H]2CCCO2)c(OC)c1 ZINC000013994102 560831617 /nfs/dbraw/zinc/83/16/17/560831617.db2.gz YCQOJAVYWULERH-IBGZPJMESA-N 1 1 415.486 3.622 40 0 HHABMO O[C@]1(c2ccc(F)cc2)CCC[N@H+](Cc2nc(-c3cccnc3Cl)no2)CC1 ZINC000013996442 560831841 /nfs/dbraw/zinc/83/18/41/560831841.db2.gz XHCBPFVKSRUQHG-HXUWFJFHSA-N 1 1 402.857 3.798 40 0 HHABMO O[C@]1(c2ccc(F)cc2)CCC[N@@H+](Cc2nc(-c3cccnc3Cl)no2)CC1 ZINC000013996442 560831842 /nfs/dbraw/zinc/83/18/42/560831842.db2.gz XHCBPFVKSRUQHG-HXUWFJFHSA-N 1 1 402.857 3.798 40 0 HHABMO CCN1CC[NH+](CCCNC(=O)c2cc3sccc3n2Cc2ccccc2)CC1 ZINC000022586310 568487203 /nfs/dbraw/zinc/48/72/03/568487203.db2.gz AQDOSYRBIRVKJB-UHFFFAOYSA-N 1 1 410.587 3.509 40 0 HHABMO Cc1cccc(-c2noc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000222599451 568519963 /nfs/dbraw/zinc/51/99/63/568519963.db2.gz ZAQNYSTUALQUMO-LJQANCHMSA-N 1 1 408.477 3.713 40 0 HHABMO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224572208 568585813 /nfs/dbraw/zinc/58/58/13/568585813.db2.gz GUJMRUZMALYMDP-OAQYLSRUSA-N 1 1 402.922 3.646 40 0 HHABMO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224739021 568594295 /nfs/dbraw/zinc/59/42/95/568594295.db2.gz BVSKFEMEWBTAEV-OAQYLSRUSA-N 1 1 402.922 3.646 40 0 HHABMO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224738896 568594355 /nfs/dbraw/zinc/59/43/55/568594355.db2.gz HVEYYPOVZKJRJD-HXUWFJFHSA-N 1 1 402.922 3.646 40 0 HHABMO Cc1cc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1Cl ZINC000224751528 568595045 /nfs/dbraw/zinc/59/50/45/568595045.db2.gz GPUSSALSOCGTKK-KRWDZBQOSA-N 1 1 402.922 3.564 40 0 HHABMO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(I)c1 ZINC000225014228 568609215 /nfs/dbraw/zinc/60/92/15/568609215.db2.gz BMPGPWIMURAMIQ-UHFFFAOYSA-N 1 1 420.294 3.558 40 0 HHABMO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225735173 568669277 /nfs/dbraw/zinc/66/92/77/568669277.db2.gz ZHLGAAFZGARCEZ-QHCPKHFHSA-N 1 1 406.567 3.958 40 0 HHABMO COc1ncccc1C(=O)N1[C@@H]2CCC[C@@H]3[N@@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257212933 568779785 /nfs/dbraw/zinc/77/97/85/568779785.db2.gz CFMKZXRQICZJLX-ZWCDFLAXSA-N 1 1 405.542 3.789 40 0 HHABMO COc1cc(C)c(C[N@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1C ZINC000257227653 568784401 /nfs/dbraw/zinc/78/44/01/568784401.db2.gz FQHDJBAURLRWLV-HXUWFJFHSA-N 1 1 424.589 3.775 40 0 HHABMO CC[N@H+]1CCC[C@@H](NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257245151 568788811 /nfs/dbraw/zinc/78/88/11/568788811.db2.gz IOGGSOFKKZCKJO-HSZRJFAPSA-N 1 1 407.558 3.688 40 0 HHABMO CC(C)c1ccc(C[N@@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1 ZINC000257248019 568789770 /nfs/dbraw/zinc/78/97/70/568789770.db2.gz JBRVHTXVMFIZQT-HSZRJFAPSA-N 1 1 416.949 3.989 40 0 HHABMO CC(C)c1ccc(C[N@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1 ZINC000257248019 568789772 /nfs/dbraw/zinc/78/97/72/568789772.db2.gz JBRVHTXVMFIZQT-HSZRJFAPSA-N 1 1 416.949 3.989 40 0 HHABMO Cc1nccc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@H+]3C)n1 ZINC000257252870 568791122 /nfs/dbraw/zinc/79/11/22/568791122.db2.gz JWLFFHSKFMHNNP-JAWPICGBSA-N 1 1 404.558 3.874 40 0 HHABMO Cn1nc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)cc1CCOc1cccc(F)c1 ZINC000257262681 568793538 /nfs/dbraw/zinc/79/35/38/568793538.db2.gz LMKDLMVDSHTUHN-DEOSSOPVSA-N 1 1 409.505 3.797 40 0 HHABMO Cn1nc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1CCOc1cccc(F)c1 ZINC000257262681 568793539 /nfs/dbraw/zinc/79/35/39/568793539.db2.gz LMKDLMVDSHTUHN-DEOSSOPVSA-N 1 1 409.505 3.797 40 0 HHABMO COc1ccc(CC[N@@H+]2CCO[C@H](c3cncc(-c4cccc(OC)c4)n3)C2)cc1 ZINC000257267881 568794934 /nfs/dbraw/zinc/79/49/34/568794934.db2.gz MJESPIGMLOVHFQ-DEOSSOPVSA-N 1 1 405.498 3.777 40 0 HHABMO COc1ccc(CC[N@H+]2CCO[C@H](c3cncc(-c4cccc(OC)c4)n3)C2)cc1 ZINC000257267881 568794936 /nfs/dbraw/zinc/79/49/36/568794936.db2.gz MJESPIGMLOVHFQ-DEOSSOPVSA-N 1 1 405.498 3.777 40 0 HHABMO Cc1cc(Nc2ccccn2)cc([C@@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)[nH+]1 ZINC000257274155 568796757 /nfs/dbraw/zinc/79/67/57/568796757.db2.gz NJUBLJIUXBCBFZ-NRFANRHFSA-N 1 1 422.460 3.647 40 0 HHABMO COCCNc1nc([C@H]2CCC[N@H+](CC(=O)NC3CCCCC3)C2)cc2ccccc21 ZINC000257281892 568799107 /nfs/dbraw/zinc/79/91/07/568799107.db2.gz ORJDRIIFYCKOOF-FQEVSTJZSA-N 1 1 424.589 3.921 40 0 HHABMO COCCNc1nc([C@H]2CCC[N@@H+](CC(=O)NC3CCCCC3)C2)cc2ccccc21 ZINC000257281892 568799109 /nfs/dbraw/zinc/79/91/09/568799109.db2.gz ORJDRIIFYCKOOF-FQEVSTJZSA-N 1 1 424.589 3.921 40 0 HHABMO O=C(OCc1ccccc1)N1C[C@H](O)[C@@H]([N@@H+](Cc2ccc(F)cc2)C2CCCC2)C1 ZINC000257295424 568803214 /nfs/dbraw/zinc/80/32/14/568803214.db2.gz QYFZHUKRIMXSGD-GOTSBHOMSA-N 1 1 412.505 3.952 40 0 HHABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCCn2c3ccccc3nc2C(C)C)[C@H]1O ZINC000257305265 568806163 /nfs/dbraw/zinc/80/61/63/568806163.db2.gz SPEXCQGFIBCUSC-KJXAQDMKSA-N 1 1 423.561 3.716 40 0 HHABMO COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@H+]4C)[nH]n2)c1 ZINC000257306614 568806506 /nfs/dbraw/zinc/80/65/06/568806506.db2.gz SVANZVHDOLMBQH-GMAHTHKFSA-N 1 1 412.534 3.573 40 0 HHABMO COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@@H+]4C)n[nH]2)c1 ZINC000257306614 568806508 /nfs/dbraw/zinc/80/65/08/568806508.db2.gz SVANZVHDOLMBQH-GMAHTHKFSA-N 1 1 412.534 3.573 40 0 HHABMO COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@H+]4C)n[nH]2)c1 ZINC000257306614 568806511 /nfs/dbraw/zinc/80/65/11/568806511.db2.gz SVANZVHDOLMBQH-GMAHTHKFSA-N 1 1 412.534 3.573 40 0 HHABMO CNC(=O)c1sc2nccnc2c1C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000257322809 568811216 /nfs/dbraw/zinc/81/12/16/568811216.db2.gz WHMAETNAGULBRL-UHFFFAOYSA-N 1 1 402.470 3.709 40 0 HHABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H](c3ccnc(N(C)C)c3)C2)c1 ZINC000257328123 568812610 /nfs/dbraw/zinc/81/26/10/568812610.db2.gz XEGRJCSKCFBZLT-JOCHJYFZSA-N 1 1 403.530 3.721 40 0 HHABMO c1c([C@@H]2C[N@@H+](Cc3cccnc3)CCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306123182 568886395 /nfs/dbraw/zinc/88/63/95/568886395.db2.gz AGNRYBOSYYVWNB-QHCPKHFHSA-N 1 1 416.573 3.598 40 0 HHABMO c1c([C@@H]2C[N@H+](Cc3cccnc3)CCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306123182 568886398 /nfs/dbraw/zinc/88/63/98/568886398.db2.gz AGNRYBOSYYVWNB-QHCPKHFHSA-N 1 1 416.573 3.598 40 0 HHABMO c1cc(C[N@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)co1 ZINC000306129153 568891853 /nfs/dbraw/zinc/89/18/53/568891853.db2.gz HVWIIHWUDVDTEW-JOCHJYFZSA-N 1 1 405.546 3.796 40 0 HHABMO c1cc(C[N@@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)co1 ZINC000306129153 568891855 /nfs/dbraw/zinc/89/18/55/568891855.db2.gz HVWIIHWUDVDTEW-JOCHJYFZSA-N 1 1 405.546 3.796 40 0 HHABMO Cc1ccc(C(=O)N2CCN(C)[C@H](c3[nH+]cn4cc(-c5cccnc5)ccc34)C2)cc1 ZINC000306130160 568892557 /nfs/dbraw/zinc/89/25/57/568892557.db2.gz IXSYEHLZGFOITG-QHCPKHFHSA-N 1 1 411.509 3.834 40 0 HHABMO CN1CCN(C(=O)Cc2ccsc2)C[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306131758 568894023 /nfs/dbraw/zinc/89/40/23/568894023.db2.gz KPAGMHWUNYDMOW-OAQYLSRUSA-N 1 1 417.538 3.516 40 0 HHABMO Cn1[n-]c2c(c1=O)C[N@@H+](Cc1cccs1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306134618 568896618 /nfs/dbraw/zinc/89/66/18/568896618.db2.gz NTRMSILTWPFDIN-UHFFFAOYSA-N 1 1 408.571 3.737 40 0 HHABMO Cc1nc(N[C@@H](CO)C(C)C)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329063462 568975234 /nfs/dbraw/zinc/97/52/34/568975234.db2.gz XEWASYSVNAKFQT-KRWDZBQOSA-N 1 1 405.340 3.539 40 0 HHABMO COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000247946403 569315866 /nfs/dbraw/zinc/31/58/66/569315866.db2.gz WRCBTIFPQOLMCF-YADARESESA-N 1 1 411.546 3.505 40 0 HHABMO CCc1nc(-c2cncnc2[C@H]2C[N@H+](Cc3c(C)cc(OC)c(C)c3C)CCO2)no1 ZINC000019693769 569346566 /nfs/dbraw/zinc/34/65/66/569346566.db2.gz LFGWSNKFYWJJLC-HXUWFJFHSA-N 1 1 423.517 3.596 40 0 HHABMO CCc1nc(-c2cncnc2[C@H]2C[N@@H+](Cc3c(C)cc(OC)c(C)c3C)CCO2)no1 ZINC000019693769 569346567 /nfs/dbraw/zinc/34/65/67/569346567.db2.gz LFGWSNKFYWJJLC-HXUWFJFHSA-N 1 1 423.517 3.596 40 0 HHABMO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000019702030 569347318 /nfs/dbraw/zinc/34/73/18/569347318.db2.gz SATDCDUSYWJIAA-SFHVURJKSA-N 1 1 409.555 3.705 40 0 HHABMO CNc1cc(CC2CCN(C(=O)CCCOc3ccccc3F)CC2)[nH+]c(C)n1 ZINC000019758731 569348846 /nfs/dbraw/zinc/34/88/46/569348846.db2.gz IASYTNDWFSHBDT-UHFFFAOYSA-N 1 1 400.498 3.606 40 0 HHABMO CC[NH+]1CCN(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2Cl)CC1 ZINC000006241904 132309741 /nfs/dbraw/zinc/30/97/41/132309741.db2.gz KUCOYKKIWJMKCV-UHFFFAOYSA-N 1 1 403.910 3.751 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)cc1OC ZINC000036719517 524027335 /nfs/dbraw/zinc/02/73/35/524027335.db2.gz XNXDUYBJVOOIQD-XLIONFOSSA-N 1 1 415.559 3.640 40 0 HHABMO COc1ccc(C(=O)N2CC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1Br ZINC000408603192 557523618 /nfs/dbraw/zinc/52/36/18/557523618.db2.gz BHXRKIJXXLVJIK-SFHVURJKSA-N 1 1 415.331 3.731 40 0 HHABMO O=C(C[NH+]1CCC(c2nc(-c3ccncc3)n[nH]2)CC1)Nc1cccc2ccccc21 ZINC000005001924 557624016 /nfs/dbraw/zinc/62/40/16/557624016.db2.gz CETQWZCPUTWKDW-UHFFFAOYSA-N 1 1 412.497 3.838 40 0 HHABMO COc1ccc(CC[N@@H+](C)C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1OC ZINC000035262654 557657480 /nfs/dbraw/zinc/65/74/80/557657480.db2.gz MKHWKJZDCVYFJF-HBMCJLEFSA-N 1 1 403.563 3.548 40 0 HHABMO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@@H+]4C4CCOCC4)nc32)cc1 ZINC000019741891 558262485 /nfs/dbraw/zinc/26/24/85/558262485.db2.gz ZHPUBLCRIOREAR-JOCHJYFZSA-N 1 1 420.557 3.889 40 0 HHABMO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@H+]4C4CCOCC4)nc32)cc1 ZINC000019741891 558262487 /nfs/dbraw/zinc/26/24/87/558262487.db2.gz ZHPUBLCRIOREAR-JOCHJYFZSA-N 1 1 420.557 3.889 40 0 HHABMO Cc1c(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000022513242 558493316 /nfs/dbraw/zinc/49/33/16/558493316.db2.gz XAYBIOIJIMTQSN-SFHVURJKSA-N 1 1 418.541 3.969 40 0 HHABMO CC(=O)Nc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)cc1 ZINC000019022417 558838085 /nfs/dbraw/zinc/83/80/85/558838085.db2.gz LWMNZCFKPJYVDG-RIKCKFAHSA-N 1 1 404.514 3.553 40 0 HHABMO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4cccc(OC[C@@H]5CCCO5)c4)C[C@@H]32)nc1 ZINC000019216134 558850306 /nfs/dbraw/zinc/85/03/06/558850306.db2.gz NYLABVKBHLPRLJ-KUVYTWDVSA-N 1 1 408.542 3.677 40 0 HHABMO Cc1cccc(C[N@@H+]2CC[C@@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)n1 ZINC000019236143 558855201 /nfs/dbraw/zinc/85/52/01/558855201.db2.gz LYXVYRMPVXOFOY-SANMLTNESA-N 1 1 414.553 3.975 40 0 HHABMO COc1ccccc1-c1ccccc1C[C@H]1C[N@@H+](Cc2cccc(C)n2)CCNC1=O ZINC000019236294 558855361 /nfs/dbraw/zinc/85/53/61/558855361.db2.gz HXGMCMSJBJMYFJ-NRFANRHFSA-N 1 1 415.537 3.856 40 0 HHABMO Cc1[nH+]ccn1[C@@H](C)CC(=O)NCCn1ncc(-c2ccccn2)c1-c1cccs1 ZINC000019287638 558861037 /nfs/dbraw/zinc/86/10/37/558861037.db2.gz ITNGJZWXRLXVJH-INIZCTEOSA-N 1 1 420.542 3.946 40 0 HHABMO O=C(c1ccncc1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]21 ZINC000019339244 558871217 /nfs/dbraw/zinc/87/12/17/558871217.db2.gz YOFDCGCCVLLMLT-WXFUMESZSA-N 1 1 416.500 3.746 40 0 HHABMO C[C@@H]1CCC[N@@H+](CC(C)(C)NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 ZINC000019496536 558895352 /nfs/dbraw/zinc/89/53/52/558895352.db2.gz UMOVQTQKNZSTDD-QGZVFWFLSA-N 1 1 403.530 3.932 40 0 HHABMO CCOc1ncccc1C(=O)N(C)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019531358 558911919 /nfs/dbraw/zinc/91/19/19/558911919.db2.gz NFFIAVFPVVINBM-UHFFFAOYSA-N 1 1 409.530 3.758 40 0 HHABMO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](CC2CCCCC2)C3)c(OCC)n1 ZINC000019531624 558912055 /nfs/dbraw/zinc/91/20/55/558912055.db2.gz IXUXFKUJZLVPET-LIMIJEPZSA-N 1 1 403.567 3.774 40 0 HHABMO CCOc1ccc(C[N@H+]2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc1OC ZINC000019533865 558913255 /nfs/dbraw/zinc/91/32/55/558913255.db2.gz CJVSQYSCAWKBLP-KRWDZBQOSA-N 1 1 413.547 3.721 40 0 HHABMO COc1ccc(OC)c(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1 ZINC000019551551 558915580 /nfs/dbraw/zinc/91/55/80/558915580.db2.gz HSAYYEITCBRPKJ-FQEVSTJZSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(OC)c(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1 ZINC000019551551 558915582 /nfs/dbraw/zinc/91/55/82/558915582.db2.gz HSAYYEITCBRPKJ-FQEVSTJZSA-N 1 1 406.486 3.989 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)C[N@H+](Cc2ccncc2)CCO1 ZINC000019580919 558936414 /nfs/dbraw/zinc/93/64/14/558936414.db2.gz YJROCYZFPDQPOJ-SANMLTNESA-N 1 1 415.537 3.651 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)C[N@@H+](Cc2ccncc2)CCO1 ZINC000019580919 558936416 /nfs/dbraw/zinc/93/64/16/558936416.db2.gz YJROCYZFPDQPOJ-SANMLTNESA-N 1 1 415.537 3.651 40 0 HHABMO CN(C)C(=O)Cn1cccc2c(C[N@@H+](C)CCc3ccccc3)c(C(F)(F)F)nc1-2 ZINC000019581290 558936915 /nfs/dbraw/zinc/93/69/15/558936915.db2.gz DEVOIFLHJPADPY-UHFFFAOYSA-N 1 1 418.463 3.769 40 0 HHABMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347833 558945051 /nfs/dbraw/zinc/94/50/51/558945051.db2.gz AEZABRKWADYWMI-UXLLHSPISA-N 1 1 405.926 3.674 40 0 HHABMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347833 558945052 /nfs/dbraw/zinc/94/50/52/558945052.db2.gz AEZABRKWADYWMI-UXLLHSPISA-N 1 1 405.926 3.674 40 0 HHABMO COc1cccc(C[N@@H+]2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)c1 ZINC000072351666 558947986 /nfs/dbraw/zinc/94/79/86/558947986.db2.gz QFVPNTSKKQNJKG-DEOSSOPVSA-N 1 1 401.510 3.643 40 0 HHABMO COc1cccc(C[N@H+]2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccncc3)c2)c1 ZINC000072351666 558947988 /nfs/dbraw/zinc/94/79/88/558947988.db2.gz QFVPNTSKKQNJKG-DEOSSOPVSA-N 1 1 401.510 3.643 40 0 HHABMO O=C(COc1ccc(F)cc1)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355216 558952584 /nfs/dbraw/zinc/95/25/84/558952584.db2.gz JKDHCGQCRYSQIF-IBGZPJMESA-N 1 1 411.521 3.545 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cc1 ZINC000072358402 558954076 /nfs/dbraw/zinc/95/40/76/558954076.db2.gz GBSVCCPSUKGLNC-FQEVSTJZSA-N 1 1 402.498 3.631 40 0 HHABMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000019687454 558957281 /nfs/dbraw/zinc/95/72/81/558957281.db2.gz BTCHYFAMDGPBDK-NRFANRHFSA-N 1 1 418.545 3.858 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2cc(-c3ccc(C(=O)NC)nc3)cc(C)n2)c(C)n1 ZINC000019691023 558960648 /nfs/dbraw/zinc/96/06/48/558960648.db2.gz TUXVDXRCCZCRMD-HSZRJFAPSA-N 1 1 418.545 3.674 40 0 HHABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccccc2F)C1 ZINC000019694073 558962360 /nfs/dbraw/zinc/96/23/60/558962360.db2.gz NUKCDYJWCZYWBH-QGZVFWFLSA-N 1 1 408.525 3.770 40 0 HHABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)cn1 ZINC000072375768 558964607 /nfs/dbraw/zinc/96/46/07/558964607.db2.gz YBZDBDGQOAMUPC-HXUWFJFHSA-N 1 1 404.518 3.845 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)cn1 ZINC000072375768 558964608 /nfs/dbraw/zinc/96/46/08/558964608.db2.gz YBZDBDGQOAMUPC-HXUWFJFHSA-N 1 1 404.518 3.845 40 0 HHABMO Cc1cnc(-c2nc(C[N@H+](C)C3CCCC3)ncc2C(=O)NCc2ccccc2)cn1 ZINC000019696896 558964722 /nfs/dbraw/zinc/96/47/22/558964722.db2.gz IEPCFKXTNAIFIH-UHFFFAOYSA-N 1 1 416.529 3.546 40 0 HHABMO Cc1c(C[N@@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)cnn1C ZINC000072376657 558966068 /nfs/dbraw/zinc/96/60/68/558966068.db2.gz JMNWUKLZVFNZQX-KRWDZBQOSA-N 1 1 408.525 3.770 40 0 HHABMO Cc1nc(NC(=O)C[N@@H+]2CCC[C@H]2c2cc(C)ccc2C)sc1C(=O)N(C)C ZINC000072391772 558971563 /nfs/dbraw/zinc/97/15/63/558971563.db2.gz YTKGHDPIVXNJGE-KRWDZBQOSA-N 1 1 400.548 3.546 40 0 HHABMO Cc1nc(NC(=O)C[N@H+]2CCC[C@H]2c2cc(C)ccc2C)sc1C(=O)N(C)C ZINC000072391772 558971565 /nfs/dbraw/zinc/97/15/65/558971565.db2.gz YTKGHDPIVXNJGE-KRWDZBQOSA-N 1 1 400.548 3.546 40 0 HHABMO CCc1oc2ccccc2c1C[N@H+]1C[C@@H]2CC[C@@](O)(c3cnc(OC)nc3OC)[C@@H]2C1 ZINC000072392636 558972415 /nfs/dbraw/zinc/97/24/15/558972415.db2.gz YNYXESHQCBYQLB-OFJJYEOVSA-N 1 1 423.513 3.532 40 0 HHABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1OC ZINC000072395324 558974088 /nfs/dbraw/zinc/97/40/88/558974088.db2.gz MKJRYAUJEOTHNY-OAHLLOKOSA-N 1 1 417.460 3.849 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000072398634 558976159 /nfs/dbraw/zinc/97/61/59/558976159.db2.gz CCFVDMDIPDHLOZ-RDPSFJRHSA-N 1 1 416.525 3.869 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000072398626 558976167 /nfs/dbraw/zinc/97/61/67/558976167.db2.gz HOILGRASXBMNSQ-XXBNENTESA-N 1 1 404.489 3.999 40 0 HHABMO CCc1nc(NC(=O)C[N@@H+]2CCC[C@H](Cc3nc4cc(F)ccc4[nH]3)C2)sc1C ZINC000019715496 558976501 /nfs/dbraw/zinc/97/65/01/558976501.db2.gz LPFSJHTVKWDVTO-CQSZACIVSA-N 1 1 415.538 3.923 40 0 HHABMO CCc1nc(NC(=O)C[N@H+]2CCC[C@H](Cc3nc4cc(F)ccc4[nH]3)C2)sc1C ZINC000019715496 558976503 /nfs/dbraw/zinc/97/65/03/558976503.db2.gz LPFSJHTVKWDVTO-CQSZACIVSA-N 1 1 415.538 3.923 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@]3(CCCN3C(=O)c3snnc3C)CC2)cc1 ZINC000585100806 559025455 /nfs/dbraw/zinc/02/54/55/559025455.db2.gz XGISQILWQVUFEW-NRFANRHFSA-N 1 1 400.548 3.516 40 0 HHABMO CCCN(CCOC)C(=O)[C@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2Cc1ccccc1 ZINC000096062596 559094285 /nfs/dbraw/zinc/09/42/85/559094285.db2.gz BHXUZUCYDZAVOI-NOZRDPDXSA-N 1 1 408.542 3.572 40 0 HHABMO CCCN(CCOC)C(=O)[C@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2Cc1ccccc1 ZINC000096062596 559094287 /nfs/dbraw/zinc/09/42/87/559094287.db2.gz BHXUZUCYDZAVOI-NOZRDPDXSA-N 1 1 408.542 3.572 40 0 HHABMO C[N@H+]1CCCN(C(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)CC1 ZINC000096147716 559098741 /nfs/dbraw/zinc/09/87/41/559098741.db2.gz PMNAQOYUQZAIJF-UHFFFAOYSA-N 1 1 415.541 3.800 40 0 HHABMO CC(C)CN1[C@H]2CC[N@@H+](Cc3ccccc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263908 559107327 /nfs/dbraw/zinc/10/73/27/559107327.db2.gz MOGSQQTWDZTYJY-SFTDATJTSA-N 1 1 414.571 3.759 40 0 HHABMO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@@H+](CC(=O)NCc3ccccc3)CC2)c1 ZINC000585274086 559118430 /nfs/dbraw/zinc/11/84/30/559118430.db2.gz QWJCKEJDKGXCOY-QHCPKHFHSA-N 1 1 416.949 3.561 40 0 HHABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)cc2c1 ZINC000000782385 559279205 /nfs/dbraw/zinc/27/92/05/559279205.db2.gz RXCRDMWUVHFKOW-HXUWFJFHSA-N 1 1 408.550 3.708 40 0 HHABMO O=C1N(CCc2ccccc2)CC=CC[C@]12C[N@@H+](Cc1ccc3[nH]ccc3c1)CCO2 ZINC000257217417 559282753 /nfs/dbraw/zinc/28/27/53/559282753.db2.gz CYVODJOWKGVSOL-SANMLTNESA-N 1 1 415.537 3.770 40 0 HHABMO COc1ccc(S(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1Cl ZINC000010544012 560770369 /nfs/dbraw/zinc/77/03/69/560770369.db2.gz PTGLRMYHWVWWGR-BETUJISGSA-N 1 1 409.379 3.648 40 0 HHABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000017093496 560868142 /nfs/dbraw/zinc/86/81/42/560868142.db2.gz DEEBOXUAZZVZIK-UHFFFAOYSA-N 1 1 423.369 3.872 40 0 HHABMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000005185591 568442580 /nfs/dbraw/zinc/44/25/80/568442580.db2.gz KHSPNQFTGFMJJP-YGOYIFOWSA-N 1 1 414.546 3.532 40 0 HHABMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000005185591 568442581 /nfs/dbraw/zinc/44/25/81/568442581.db2.gz KHSPNQFTGFMJJP-YGOYIFOWSA-N 1 1 414.546 3.532 40 0 HHABMO COc1ccc(-c2noc(CNC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)n2)cc1 ZINC000219240500 568488376 /nfs/dbraw/zinc/48/83/76/568488376.db2.gz HPJUKXNDOJSRQH-KRWDZBQOSA-N 1 1 420.513 3.907 40 0 HHABMO COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2c3cccnc3[nH]c2-c2ccco2)cc1 ZINC000057773474 568497652 /nfs/dbraw/zinc/49/76/52/568497652.db2.gz FLFPZOUWPMQDJP-INIZCTEOSA-N 1 1 407.470 3.703 40 0 HHABMO O=C(NCc1nc(-c2cccs2)no1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222596471 568519811 /nfs/dbraw/zinc/51/98/11/568519811.db2.gz JQMKVCSFPPIZPV-HNNXBMFYSA-N 1 1 416.934 3.980 40 0 HHABMO O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222595388 568519862 /nfs/dbraw/zinc/51/98/62/568519862.db2.gz YXHCKUGWKIPSQR-SFHVURJKSA-N 1 1 410.905 3.918 40 0 HHABMO Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222599634 568519980 /nfs/dbraw/zinc/51/99/80/568519980.db2.gz UODCIHPZTAGIRD-LJQANCHMSA-N 1 1 408.477 3.713 40 0 HHABMO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224585481 568586365 /nfs/dbraw/zinc/58/63/65/568586365.db2.gz GDSGXZWQFTTXNN-JOCHJYFZSA-N 1 1 416.949 3.954 40 0 HHABMO O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224587274 568586548 /nfs/dbraw/zinc/58/65/48/568586548.db2.gz QPHMACIAWSVGSO-UHFFFAOYSA-N 1 1 422.953 3.861 40 0 HHABMO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224729175 568593694 /nfs/dbraw/zinc/59/36/94/568593694.db2.gz GMQXNWKVVOSAGL-LJQANCHMSA-N 1 1 410.558 3.900 40 0 HHABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1cn2c3c(cccc3c1=O)CC2 ZINC000225861114 568681475 /nfs/dbraw/zinc/68/14/75/568681475.db2.gz IBLJUWKOHTUHJA-UHFFFAOYSA-N 1 1 418.884 3.601 40 0 HHABMO Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)n1 ZINC000257281884 568799124 /nfs/dbraw/zinc/79/91/24/568799124.db2.gz ORILATLXSAXKJO-TYUWDEHNSA-N 1 1 420.601 3.975 40 0 HHABMO Cc1cc(N2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)nc(C)[nH+]1 ZINC000257304808 568805976 /nfs/dbraw/zinc/80/59/76/568805976.db2.gz SNFKNGZMBLSMCS-FQEVSTJZSA-N 1 1 413.909 3.669 40 0 HHABMO Cc1cc(Nc2cccc([C@@H]3C[N@H+](Cc4cn(C)c5ccccc45)CCO3)n2)nn1C ZINC000257308539 568806858 /nfs/dbraw/zinc/80/68/58/568806858.db2.gz TXCRYQPWTRKLHM-QFIPXVFZSA-N 1 1 416.529 3.932 40 0 HHABMO Cc1cc(Nc2cccc([C@@H]3C[N@@H+](Cc4cn(C)c5ccccc45)CCO3)n2)nn1C ZINC000257308539 568806860 /nfs/dbraw/zinc/80/68/60/568806860.db2.gz TXCRYQPWTRKLHM-QFIPXVFZSA-N 1 1 416.529 3.932 40 0 HHABMO O=C(C[NH+]1CCC(c2cccc(Nc3cnccn3)n2)CC1)Nc1ccc(F)cc1 ZINC000257325700 568812051 /nfs/dbraw/zinc/81/20/51/568812051.db2.gz WUBVTVPAKOUYCD-UHFFFAOYSA-N 1 1 406.465 3.572 40 0 HHABMO c1cc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccc6c(c5)OCO6)C4)nn3c2)ccn1 ZINC000306125661 568888302 /nfs/dbraw/zinc/88/83/02/568888302.db2.gz CXFGWGXFCBCPDN-HXUWFJFHSA-N 1 1 413.481 3.900 40 0 HHABMO COc1cccc(C[N@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)c1 ZINC000306128275 568891192 /nfs/dbraw/zinc/89/11/92/568891192.db2.gz GVVMNHSXINQNPB-DHIUTWEWSA-N 1 1 405.473 3.717 40 0 HHABMO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3cccc(C)c3)C[C@H]1S2(=O)=O ZINC000306130841 568893049 /nfs/dbraw/zinc/89/30/49/568893049.db2.gz JRBADRVUPOSVBR-JTHBVZDNSA-N 1 1 420.534 3.821 40 0 HHABMO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3cccc(C)c3)C[C@H]1S2(=O)=O ZINC000306130841 568893050 /nfs/dbraw/zinc/89/30/50/568893050.db2.gz JRBADRVUPOSVBR-JTHBVZDNSA-N 1 1 420.534 3.821 40 0 HHABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccccc3F)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306131374 568893716 /nfs/dbraw/zinc/89/37/16/568893716.db2.gz KCUFCLVHQPOPAK-HYBUGGRVSA-N 1 1 410.537 3.831 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC000306134830 568896828 /nfs/dbraw/zinc/89/68/28/568896828.db2.gz NZFNHQRYYVTVMS-PKTZIBPZSA-N 1 1 405.473 3.717 40 0 HHABMO Cc1ccccc1C(=O)N1CCN(C)[C@@H](c2[nH+]cn3cc(-c4cccnc4)ccc23)C1 ZINC000306140276 568902119 /nfs/dbraw/zinc/90/21/19/568902119.db2.gz UOQVLHJBYRVTAW-HSZRJFAPSA-N 1 1 411.509 3.834 40 0 HHABMO COc1ccc(-c2cccc3nc([C@H]4C[N@H+](Cc5ccncc5)CCN4C)cn32)cc1 ZINC000306142741 568904578 /nfs/dbraw/zinc/90/45/78/568904578.db2.gz XIBTVSGFBQDNAF-XMMPIXPASA-N 1 1 413.525 3.894 40 0 HHABMO COc1ccc(-c2cccc3nc([C@H]4C[N@@H+](Cc5ccncc5)CCN4C)cn32)cc1 ZINC000306142741 568904580 /nfs/dbraw/zinc/90/45/80/568904580.db2.gz XIBTVSGFBQDNAF-XMMPIXPASA-N 1 1 413.525 3.894 40 0 HHABMO C[C@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329036512 568973986 /nfs/dbraw/zinc/97/39/86/568973986.db2.gz RJQUKVJJXDJJCZ-GFCCVEGCSA-N 1 1 408.424 3.608 40 0 HHABMO C[C@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329036512 568973987 /nfs/dbraw/zinc/97/39/87/568973987.db2.gz RJQUKVJJXDJJCZ-GFCCVEGCSA-N 1 1 408.424 3.608 40 0 HHABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000006953572 569335794 /nfs/dbraw/zinc/33/57/94/569335794.db2.gz KYRFSAWQENOMOU-UHFFFAOYSA-N 1 1 417.962 3.671 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)c1 ZINC000012157778 569344616 /nfs/dbraw/zinc/34/46/16/569344616.db2.gz DZBKPGVPPVYZQS-GHTZIAJQSA-N 1 1 422.554 3.930 40 0 HHABMO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@@H+](Cc4cnc(N(C)C)nc4)C3)n[nH]2)cc1 ZINC000019704497 569347626 /nfs/dbraw/zinc/34/76/26/569347626.db2.gz INXKTKJRFAHERJ-HXUWFJFHSA-N 1 1 420.561 3.958 40 0 HHABMO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4cnc(N(C)C)nc4)C3)[nH]n2)cc1 ZINC000019704497 569347627 /nfs/dbraw/zinc/34/76/27/569347627.db2.gz INXKTKJRFAHERJ-HXUWFJFHSA-N 1 1 420.561 3.958 40 0 HHABMO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@@H+](Cc4cnc(N(C)C)nc4)C3)[nH]n2)cc1 ZINC000019704497 569347628 /nfs/dbraw/zinc/34/76/28/569347628.db2.gz INXKTKJRFAHERJ-HXUWFJFHSA-N 1 1 420.561 3.958 40 0 HHABMO COc1ccc(-n2ncc(CNC(C)=O)c2[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000019707858 569348100 /nfs/dbraw/zinc/34/81/00/569348100.db2.gz IDKHFSWGXKIFFL-LJQANCHMSA-N 1 1 422.504 3.646 40 0 HHABMO O=c1c(-c2ccc(Cl)cc2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(CO)o2)C1 ZINC000020503183 575369305 /nfs/dbraw/zinc/36/93/05/575369305.db2.gz LZVHJXLQFBURQO-DOTOQJQBSA-N 1 1 410.901 3.873 40 0 biogenic,in-vitro HHABMO CC(C)c1ccc(OCCOC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000040373342 519838181 /nfs/dbraw/zinc/83/81/81/519838181.db2.gz YHTADDZZCXQKEH-NRFANRHFSA-N 1 1 416.537 3.528 40 0 HHABMO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCC[C@@H](C)C1 ZINC000225716078 520589076 /nfs/dbraw/zinc/58/90/76/520589076.db2.gz WXZZJTGPLZVFTF-AUSIDOKSSA-N 1 1 404.551 3.712 40 0 HHABMO CC(C)n1cc(C[N@@H+]2CCO[C@H](C(=O)N(C)CCc3ccccn3)C2)c2ccccc21 ZINC000019747363 558266964 /nfs/dbraw/zinc/26/69/64/558266964.db2.gz AVLMRNOKKSCMQT-DEOSSOPVSA-N 1 1 420.557 3.519 40 0 HHABMO CC(C)n1cc(C[N@H+]2CCO[C@H](C(=O)N(C)CCc3ccccn3)C2)c2ccccc21 ZINC000019747363 558266966 /nfs/dbraw/zinc/26/69/66/558266966.db2.gz AVLMRNOKKSCMQT-DEOSSOPVSA-N 1 1 420.557 3.519 40 0 HHABMO Cc1cc(N2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)nc(C)[nH+]1 ZINC000019759398 558275919 /nfs/dbraw/zinc/27/59/19/558275919.db2.gz RHYXWPWWWVGZIP-QFIPXVFZSA-N 1 1 419.529 3.605 40 0 HHABMO C[C@@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 ZINC000012131757 558332952 /nfs/dbraw/zinc/33/29/52/558332952.db2.gz PASOMSLWCUNAGA-MJGOQNOKSA-N 1 1 418.541 3.625 40 0 HHABMO C[C@@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 ZINC000012144916 558336100 /nfs/dbraw/zinc/33/61/00/558336100.db2.gz FSGUBIJXAQJZLO-QUCCMNQESA-N 1 1 418.541 3.556 40 0 HHABMO COc1cc(C[N@H+]2CC[C@](O)(c3ccccc3)C2)ccc1OCc1c(C)noc1C ZINC000012241340 558360532 /nfs/dbraw/zinc/36/05/32/558360532.db2.gz IBIOWXHAVJVBHT-XMMPIXPASA-N 1 1 408.498 3.973 40 0 HHABMO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000012292865 558366011 /nfs/dbraw/zinc/36/60/11/558366011.db2.gz BEPHGYOCDBCSPW-UHFFFAOYSA-N 1 1 404.869 3.835 40 0 HHABMO COc1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000035828107 558795433 /nfs/dbraw/zinc/79/54/33/558795433.db2.gz YVUFEZLYZUOAFD-PWAGRJGVSA-N 1 1 405.498 3.582 40 0 HHABMO Fc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cnc(N3CCCCC3)nc2)cc1 ZINC000036740146 558801589 /nfs/dbraw/zinc/80/15/89/558801589.db2.gz HRLOTFJGRVTQLX-UHFFFAOYSA-N 1 1 408.525 3.895 40 0 HHABMO O=C(CC1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014903 558836995 /nfs/dbraw/zinc/83/69/95/558836995.db2.gz WGAMTHSNSZZPBX-SFHVURJKSA-N 1 1 412.578 3.769 40 0 HHABMO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019236139 558855188 /nfs/dbraw/zinc/85/51/88/558855188.db2.gz COEYZMAXCGKPEV-VWLOTQADSA-N 1 1 400.526 3.633 40 0 HHABMO O=C(c1cccnc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC000019339256 558871229 /nfs/dbraw/zinc/87/12/29/558871229.db2.gz KSIWKXVFHSZAJY-HJOGWXRNSA-N 1 1 416.500 3.746 40 0 HHABMO CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCC(C)CC1)CC2 ZINC000019499869 558898150 /nfs/dbraw/zinc/89/81/50/558898150.db2.gz IISGUXOPNHOGQP-CQKVTUKBSA-N 1 1 400.567 3.829 40 0 HHABMO CCCN1CC[N@@H+](CC2=CCCOC2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503260 558900510 /nfs/dbraw/zinc/90/05/10/558900510.db2.gz XTLXJQFAZNSOPN-DEOSSOPVSA-N 1 1 419.569 3.808 40 0 HHABMO CCn1ncc(C[N@H+]2C[C@@H](c3cc(F)cc(F)c3)[C@]3(C2)CCCCC(=O)N3)c1C ZINC000019523988 558905318 /nfs/dbraw/zinc/90/53/18/558905318.db2.gz PKNKVOGOXMEGQN-RBBKRZOGSA-N 1 1 402.489 3.518 40 0 HHABMO CC[N@H+]1CCC[C@H]1CNCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000019527242 558908377 /nfs/dbraw/zinc/90/83/77/558908377.db2.gz BWSFVZKPQBIRNF-IBGZPJMESA-N 1 1 407.562 3.585 40 0 HHABMO CCN1CCC[C@H]1C[NH2+]Cc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000019527242 558908381 /nfs/dbraw/zinc/90/83/81/558908381.db2.gz BWSFVZKPQBIRNF-IBGZPJMESA-N 1 1 407.562 3.585 40 0 HHABMO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1OC ZINC000019567876 558927075 /nfs/dbraw/zinc/92/70/75/558927075.db2.gz BSRFEUVKJLUHBG-LJQANCHMSA-N 1 1 406.486 3.989 40 0 HHABMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1OC ZINC000019567876 558927076 /nfs/dbraw/zinc/92/70/76/558927076.db2.gz BSRFEUVKJLUHBG-LJQANCHMSA-N 1 1 406.486 3.989 40 0 HHABMO Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)[nH]n1 ZINC000019577851 558933761 /nfs/dbraw/zinc/93/37/61/558933761.db2.gz HYTFPQHZMUJTHV-UHFFFAOYSA-N 1 1 422.533 3.544 40 0 HHABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2cc(N(C)C)nc(-c3cccnc3)n2)C1 ZINC000019584449 558938492 /nfs/dbraw/zinc/93/84/92/558938492.db2.gz WSHQXMRBELCQGR-LJQANCHMSA-N 1 1 403.530 3.993 40 0 HHABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019591345 558941952 /nfs/dbraw/zinc/94/19/52/558941952.db2.gz BFAYRSIVHNJRER-VWLOTQADSA-N 1 1 400.526 3.715 40 0 HHABMO Cn1nccc1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371593 558958777 /nfs/dbraw/zinc/95/87/77/558958777.db2.gz VSUFZGGQZAYUMK-HNNXBMFYSA-N 1 1 419.451 3.773 40 0 HHABMO Cn1nccc1C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371593 558958778 /nfs/dbraw/zinc/95/87/78/558958778.db2.gz VSUFZGGQZAYUMK-HNNXBMFYSA-N 1 1 419.451 3.773 40 0 HHABMO Cn1nccc1C[N@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371593 558958781 /nfs/dbraw/zinc/95/87/81/558958781.db2.gz VSUFZGGQZAYUMK-HNNXBMFYSA-N 1 1 419.451 3.773 40 0 HHABMO CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C[N@@H+](C)C2CCCCC2)n1 ZINC000019697388 558964868 /nfs/dbraw/zinc/96/48/68/558964868.db2.gz QCRCJXOBEOOFBV-MRXNPFEDSA-N 1 1 411.525 3.942 40 0 HHABMO Cc1c(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3F)C2)cnn1C ZINC000072376658 558966166 /nfs/dbraw/zinc/96/61/66/558966166.db2.gz JMNWUKLZVFNZQX-QGZVFWFLSA-N 1 1 408.525 3.770 40 0 HHABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@@H]3c3ccc(C(=O)N4CCOCC4)cn3)ccc2O1 ZINC000019708753 558971267 /nfs/dbraw/zinc/97/12/67/558971267.db2.gz QOUJKLDDNDZBTG-JOCHJYFZSA-N 1 1 421.541 3.605 40 0 HHABMO COc1ccc2c(c1)c([C@@H]1C[N@H+](Cc3ccc(OC(C)=O)cc3)C[C@H]1N(C)C)cn2C ZINC000072395541 558974609 /nfs/dbraw/zinc/97/46/09/558974609.db2.gz KYSXURXQQKCPHU-UKILVPOCSA-N 1 1 421.541 3.642 40 0 HHABMO COc1ccc2c(c1)c([C@@H]1C[N@@H+](Cc3ccc(OC(C)=O)cc3)C[C@H]1N(C)C)cn2C ZINC000072395541 558974611 /nfs/dbraw/zinc/97/46/11/558974611.db2.gz KYSXURXQQKCPHU-UKILVPOCSA-N 1 1 421.541 3.642 40 0 HHABMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2cc(Br)ccc2oc1=O ZINC000015188654 558987692 /nfs/dbraw/zinc/98/76/92/558987692.db2.gz AITKOWBLVUPZPO-SUMWQHHRSA-N 1 1 420.303 3.977 40 0 HHABMO O=C(COc1cccc(Cl)c1)N1CCC[C@]2(CCC[N@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100721 559024388 /nfs/dbraw/zinc/02/43/88/559024388.db2.gz URFGISSVDRWIDQ-UNMCSNQZSA-N 1 1 406.954 3.745 40 0 HHABMO C[N@H+]1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)Cc3ccccc3Cl)CC4)c2C1 ZINC000585110361 559030177 /nfs/dbraw/zinc/03/01/77/559030177.db2.gz KDOGZCFRONBABI-UHFFFAOYSA-N 1 1 420.944 3.845 40 0 HHABMO C[N@H+]1Cc2cccc(-c3cnc4n3CCN(C(=O)c3cc(Cl)ccc3O)CC4)c2C1 ZINC000585111128 559031738 /nfs/dbraw/zinc/03/17/38/559031738.db2.gz FPIKVFXHURTYNS-UHFFFAOYSA-N 1 1 422.916 3.553 40 0 HHABMO CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)n2)C3)cc1 ZINC000096216223 559101877 /nfs/dbraw/zinc/10/18/77/559101877.db2.gz WTMKYXIVJDFEBR-QHCPKHFHSA-N 1 1 413.587 3.629 40 0 HHABMO CN(C)c1cccc(C(=O)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC000096220995 559102014 /nfs/dbraw/zinc/10/20/14/559102014.db2.gz YFDXUBDBONWDTJ-QHCPKHFHSA-N 1 1 407.558 3.648 40 0 HHABMO CCCOCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@H+]2Cc1ccccc1 ZINC000585262484 559111009 /nfs/dbraw/zinc/11/10/09/559111009.db2.gz FCWZSVGNOFLXAF-UBFVSLLYSA-N 1 1 422.569 3.938 40 0 HHABMO Cc1nccn1CCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585272035 559117817 /nfs/dbraw/zinc/11/78/17/559117817.db2.gz KXZZASVJWQLWQW-RUZDIDTESA-N 1 1 421.541 3.676 40 0 HHABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272305 559118086 /nfs/dbraw/zinc/11/80/86/559118086.db2.gz HQBPUSULHDCPRS-HSZRJFAPSA-N 1 1 418.484 3.531 40 0 HHABMO CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@H+]1C[C@@]1(O)CC[C@H](C(C)(C)C)CC1 ZINC000585283493 559120615 /nfs/dbraw/zinc/12/06/15/559120615.db2.gz OUVJQJSEYZKUNV-XUNDTRFRSA-N 1 1 422.654 3.864 40 0 HHABMO Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c12 ZINC000017082253 559122582 /nfs/dbraw/zinc/12/25/82/559122582.db2.gz NZTGNSVSLLDOKS-IBGZPJMESA-N 1 1 401.514 3.527 40 0 HHABMO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257249289 559284381 /nfs/dbraw/zinc/28/43/81/559284381.db2.gz JHODZLPUKPQMLW-ILBGXUMGSA-N 1 1 424.541 3.782 40 0 HHABMO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257249289 559284383 /nfs/dbraw/zinc/28/43/83/559284383.db2.gz JHODZLPUKPQMLW-ILBGXUMGSA-N 1 1 424.541 3.782 40 0 HHABMO Cc1ccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2Cl)cc1 ZINC000409245495 560701370 /nfs/dbraw/zinc/70/13/70/560701370.db2.gz UQOZWUKZISSUHU-UHFFFAOYSA-N 1 1 417.962 3.589 40 0 HHABMO O=C(NCCCN1CCCc2ccccc21)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000260512195 560750952 /nfs/dbraw/zinc/75/09/52/560750952.db2.gz VQEVNKWQVATGHU-QFIPXVFZSA-N 1 1 409.549 3.997 40 0 HHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(I)cc1 ZINC000010543043 560770234 /nfs/dbraw/zinc/77/02/34/560770234.db2.gz YYGMQLGJMTXAQZ-MRXNPFEDSA-N 1 1 400.304 3.676 40 0 HHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(I)cc1 ZINC000010543044 560770227 /nfs/dbraw/zinc/77/02/27/560770227.db2.gz YYGMQLGJMTXAQZ-INIZCTEOSA-N 1 1 400.304 3.676 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019499732 560873599 /nfs/dbraw/zinc/87/35/99/560873599.db2.gz VQEXMJIEVJAZFR-HXUWFJFHSA-N 1 1 410.591 3.787 40 0 HHABMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000006733511 568458726 /nfs/dbraw/zinc/45/87/26/568458726.db2.gz ZVKBSENSURYYII-XWGVYQGASA-N 1 1 400.563 3.812 40 0 HHABMO CCc1c(C)sc2nc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)[nH]c(=O)c12 ZINC000022584310 568487056 /nfs/dbraw/zinc/48/70/56/568487056.db2.gz KNIHVNORPIHTDV-JXMROGBWSA-N 1 1 408.571 3.686 40 0 HHABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CC(=O)Nc2ccccc21 ZINC000225584158 568654608 /nfs/dbraw/zinc/65/46/08/568654608.db2.gz WJLDNQTUXFBHDJ-UHFFFAOYSA-N 1 1 401.869 3.676 40 0 HHABMO Cc1cnc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)cn1 ZINC000257235649 568786395 /nfs/dbraw/zinc/78/63/95/568786395.db2.gz GYUAUDPDEVMCBM-ACUMWEPGSA-N 1 1 404.558 3.874 40 0 HHABMO Cc1cc(Nc2cccc([C@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)nn1C ZINC000257242620 568788363 /nfs/dbraw/zinc/78/83/63/568788363.db2.gz IDISHWMADSCKIS-JOCHJYFZSA-N 1 1 414.513 3.989 40 0 HHABMO Cc1cc(Nc2cccc([C@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)nn1C ZINC000257242620 568788365 /nfs/dbraw/zinc/78/83/65/568788365.db2.gz IDISHWMADSCKIS-JOCHJYFZSA-N 1 1 414.513 3.989 40 0 HHABMO Cc1noc(CCC(=O)N2CCCCC[C@@H]3[N@@H+](C)[C@H](Cc4ccccc4)C[C@@]32C)n1 ZINC000257244114 568788549 /nfs/dbraw/zinc/78/85/49/568788549.db2.gz IJXNPSOZAGALBB-DPLHUUCSSA-N 1 1 410.562 3.787 40 0 HHABMO Cc1cc(Nc2ccccn2)cc([C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)[nH+]1 ZINC000257274156 568796651 /nfs/dbraw/zinc/79/66/51/568796651.db2.gz NJUBLJIUXBCBFZ-OAQYLSRUSA-N 1 1 422.460 3.647 40 0 HHABMO COc1cccc(OCCc2cc([C@@H]3C[N@H+](Cc4cccc(C)c4)CCO3)[nH]n2)c1 ZINC000257283181 568799264 /nfs/dbraw/zinc/79/92/64/568799264.db2.gz OXCAFXJFFHJHSM-DEOSSOPVSA-N 1 1 407.514 3.922 40 0 HHABMO COc1cccc(OCCc2cc([C@@H]3C[N@@H+](Cc4cccc(C)c4)CCO3)[nH]n2)c1 ZINC000257283181 568799266 /nfs/dbraw/zinc/79/92/66/568799266.db2.gz OXCAFXJFFHJHSM-DEOSSOPVSA-N 1 1 407.514 3.922 40 0 HHABMO O=C1CO[C@]2(CN1Cc1ccccc1)CCC[N@H+](Cc1cccc(F)c1F)CC2 ZINC000257293144 568802481 /nfs/dbraw/zinc/80/24/81/568802481.db2.gz QOIAYKAOJCSLQI-HSZRJFAPSA-N 1 1 400.469 3.749 40 0 HHABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@](C(N)=O)(c2ccccn2)C1 ZINC000257297744 568803664 /nfs/dbraw/zinc/80/36/64/568803664.db2.gz RIQPGTGNLIDQGF-VWLOTQADSA-N 1 1 401.510 3.776 40 0 HHABMO COc1ccc(OC)c(-c2[nH]nc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[NH2+]C4)c2C)c1 ZINC000257303756 568805708 /nfs/dbraw/zinc/80/57/08/568805708.db2.gz SIODTMUYIMETET-RXYORGTDSA-N 1 1 424.545 3.538 40 0 HHABMO Cc1nccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)n1 ZINC000257323600 568811501 /nfs/dbraw/zinc/81/15/01/568811501.db2.gz WLAQEGACPWBLQQ-ACUMWEPGSA-N 1 1 404.558 3.874 40 0 HHABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](c3ccnc(N(C)C)c3)C2)c1 ZINC000257328124 568812710 /nfs/dbraw/zinc/81/27/10/568812710.db2.gz XEGRJCSKCFBZLT-QFIPXVFZSA-N 1 1 403.530 3.721 40 0 HHABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306126137 568888902 /nfs/dbraw/zinc/88/89/02/568888902.db2.gz DOANAYSLPFOABI-ZJSXRUAMSA-N 1 1 410.537 3.831 40 0 HHABMO c1cc(C[N@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)co1 ZINC000306129154 568891894 /nfs/dbraw/zinc/89/18/94/568891894.db2.gz HVWIIHWUDVDTEW-QFIPXVFZSA-N 1 1 405.546 3.796 40 0 HHABMO c1cc(C[N@@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)co1 ZINC000306129154 568891896 /nfs/dbraw/zinc/89/18/96/568891896.db2.gz HVWIIHWUDVDTEW-QFIPXVFZSA-N 1 1 405.546 3.796 40 0 HHABMO CCc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306131552 568893913 /nfs/dbraw/zinc/89/39/13/568893913.db2.gz KIKDHYZLOYQPGL-OAQYLSRUSA-N 1 1 405.546 3.508 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccccc4F)C[C@@H]32)cc1 ZINC000306136467 568898280 /nfs/dbraw/zinc/89/82/80/568898280.db2.gz PUHCRIIAMDRBQS-PKTZIBPZSA-N 1 1 405.473 3.717 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccccc4F)C[C@@H]32)cc1 ZINC000306136467 568898282 /nfs/dbraw/zinc/89/82/82/568898282.db2.gz PUHCRIIAMDRBQS-PKTZIBPZSA-N 1 1 405.473 3.717 40 0 HHABMO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306143361 568904925 /nfs/dbraw/zinc/90/49/25/568904925.db2.gz YAEMZNQHDNWWFF-HSZRJFAPSA-N 1 1 407.445 3.593 40 0 HHABMO COc1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 ZINC000306144035 568905379 /nfs/dbraw/zinc/90/53/79/568905379.db2.gz YTZGROZNZXNVHI-FCHUYYIVSA-N 1 1 405.473 3.717 40 0 HHABMO COc1cc2c(cc1OC)CN(c1cc(C(C)C)[nH+]c(N[C@H](CO)C(C)C)n1)CC2 ZINC000328967559 568970283 /nfs/dbraw/zinc/97/02/83/568970283.db2.gz CVGYZTOULFCOTE-LJQANCHMSA-N 1 1 414.550 3.609 40 0 HHABMO CC(C)[C@@H](CO)Nc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329031315 568973697 /nfs/dbraw/zinc/97/36/97/568973697.db2.gz QINOUEMIOVOCFA-OAQYLSRUSA-N 1 1 410.562 3.573 40 0 HHABMO Cc1c(Cl)cccc1NC(=O)COc1ccc(C(=S)N2CC[NH+](C)CC2)cc1 ZINC000008278377 569339948 /nfs/dbraw/zinc/33/99/48/569339948.db2.gz AHXNQCYDAVFGPG-UHFFFAOYSA-N 1 1 417.962 3.589 40 0 HHABMO CC(=O)N1CCCc2cc([C@H](O)C[N@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc21 ZINC000019235128 569345335 /nfs/dbraw/zinc/34/53/35/569345335.db2.gz OWRKYZZCMGGWSI-UQBPGWFLSA-N 1 1 407.558 3.538 40 0 HHABMO CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CC[N@@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000019739137 569348699 /nfs/dbraw/zinc/34/86/99/569348699.db2.gz MUXLQQOMFKUYFN-QHCPKHFHSA-N 1 1 411.502 3.734 40 0 HHABMO C=C1[NH+]=C(SC(C)C)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000033785016 569351396 /nfs/dbraw/zinc/35/13/96/569351396.db2.gz ROUUXRFTISVOAO-KRWDZBQOSA-N 1 1 408.520 3.691 40 0 HHABMO O=C(COc1ccc(C2SCCS2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038674582 569351845 /nfs/dbraw/zinc/35/18/45/569351845.db2.gz BHHNRHQVSWNTHE-UHFFFAOYSA-N 1 1 414.596 3.888 40 0 HHABMO CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000020503447 575369597 /nfs/dbraw/zinc/36/95/97/575369597.db2.gz RPIWSYKIWATWMS-FUHWJXTLSA-N 1 1 422.550 3.942 40 0 biogenic,in-vitro HHABMO CC[NH+](CC)Cc1nc(C2(O)CCN(C(=O)Nc3cccc(F)c3)CC2)cs1 ZINC000225463807 291249834 /nfs/dbraw/zinc/24/98/34/291249834.db2.gz HGBWCEAJFUMYQR-UHFFFAOYSA-N 1 1 406.527 3.640 40 0 biogenic,in-vitro HHABMO COc1cc(CNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc(OC)c1OC ZINC000044917677 522434694 /nfs/dbraw/zinc/43/46/94/522434694.db2.gz ZNABGLSCLYVOHV-KRWDZBQOSA-N 1 1 412.530 3.874 40 0 HHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(I)cc2)cc1 ZINC000044899900 527373444 /nfs/dbraw/zinc/37/34/44/527373444.db2.gz AGYCZVQVKOIVHG-UHFFFAOYSA-N 1 1 417.250 3.715 40 0 HHABMO CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408615369 557540405 /nfs/dbraw/zinc/54/04/05/557540405.db2.gz PNGXEUMQZBISLG-UHFFFAOYSA-N 1 1 423.557 3.689 40 0 HHABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766362 558278850 /nfs/dbraw/zinc/27/88/50/558278850.db2.gz OIKNLGPTBFFIFD-FQEVSTJZSA-N 1 1 419.504 3.629 40 0 HHABMO COc1cc(C(=O)N2CCC[C@@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)ccn1 ZINC000012088146 558322935 /nfs/dbraw/zinc/32/29/35/558322935.db2.gz LJNAQJWHUUAQKC-QGZVFWFLSA-N 1 1 407.518 3.968 40 0 HHABMO COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020110199 558335247 /nfs/dbraw/zinc/33/52/47/558335247.db2.gz PWZACIZLWRQQNV-LJQANCHMSA-N 1 1 423.557 3.937 40 0 HHABMO COc1ccc(C[N@@H+](Cc2cc3c(cc2OC)OCO3)C[C@H]2CCCO2)cc1OC ZINC000012187338 558346244 /nfs/dbraw/zinc/34/62/44/558346244.db2.gz NAIKTEAQMFBDEQ-GOSISDBHSA-N 1 1 415.486 3.622 40 0 HHABMO COc1ccc(C[N@H+](Cc2cc3c(cc2OC)OCO3)C[C@H]2CCCO2)cc1OC ZINC000012187338 558346246 /nfs/dbraw/zinc/34/62/46/558346246.db2.gz NAIKTEAQMFBDEQ-GOSISDBHSA-N 1 1 415.486 3.622 40 0 HHABMO C[C@]12C[N@@H+](Cc3cccc(OC4CCCC4)c3)C[C@H]1C(=O)Nc1ccccc1C(=O)N2 ZINC000012231802 558358041 /nfs/dbraw/zinc/35/80/41/558358041.db2.gz XOPQFGOGUZLCPI-OFVILXPXSA-N 1 1 419.525 3.581 40 0 HHABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@@H+](Cc3ccccc3F)C1)O2 ZINC000012407696 558398420 /nfs/dbraw/zinc/39/84/20/558398420.db2.gz CVVADQOJEXTCJE-NTKDMRAZSA-N 1 1 412.505 3.856 40 0 HHABMO O=C(Nc1ccccc1C(=O)N1CCCC1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038854746 558819207 /nfs/dbraw/zinc/81/92/07/558819207.db2.gz LNCOVDGXWCPWSM-IBGZPJMESA-N 1 1 409.505 3.912 40 0 HHABMO O=C(Nc1ccccc1C(=O)N1CCCC1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038854743 558819294 /nfs/dbraw/zinc/81/92/94/558819294.db2.gz LNCOVDGXWCPWSM-LJQANCHMSA-N 1 1 409.505 3.912 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cc1 ZINC000019019593 558837583 /nfs/dbraw/zinc/83/75/83/558837583.db2.gz QUCPNANEXSEAES-NLFFAJNJSA-N 1 1 424.541 3.726 40 0 HHABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@@H+](Cc3ccsc3)C1)O2 ZINC000019019600 558837626 /nfs/dbraw/zinc/83/76/26/558837626.db2.gz UDXSLKIBBDLZKJ-XMSQKQJNSA-N 1 1 400.544 3.778 40 0 HHABMO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nnsc3-c3cc(C)no3)C1)OCO2 ZINC000019120746 558843056 /nfs/dbraw/zinc/84/30/56/558843056.db2.gz WKFWBNSHTQGKJI-CYBMUJFWSA-N 1 1 414.487 3.618 40 0 HHABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3nnsc3-c3cc(C)no3)C1)OCO2 ZINC000019120746 558843058 /nfs/dbraw/zinc/84/30/58/558843058.db2.gz WKFWBNSHTQGKJI-CYBMUJFWSA-N 1 1 414.487 3.618 40 0 HHABMO CN(C(=O)c1cc(C2CC2)nn1C)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019288808 558861579 /nfs/dbraw/zinc/86/15/79/558861579.db2.gz QNFWNYRFLOGYGQ-UHFFFAOYSA-N 1 1 408.546 3.575 40 0 HHABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000019290185 558862700 /nfs/dbraw/zinc/86/27/00/558862700.db2.gz ZOFPZJCOXIQNKC-KRWDZBQOSA-N 1 1 408.575 3.918 40 0 HHABMO Fc1ccc(OCCC[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019335925 558869973 /nfs/dbraw/zinc/86/99/73/558869973.db2.gz GRRPBXOXJTZVDN-JCGIZDLHSA-N 1 1 409.456 3.589 40 0 HHABMO c1csc(-c2cnc(N3CCC([NH+]4CCOCC4)CC3)nc2-c2nccs2)c1 ZINC000019344607 558872908 /nfs/dbraw/zinc/87/29/08/558872908.db2.gz MYUMLZOAVSKUJU-UHFFFAOYSA-N 1 1 413.572 3.630 40 0 HHABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019370392 558878633 /nfs/dbraw/zinc/87/86/33/558878633.db2.gz IKGONPDUUWLZKG-RCZVLFRGSA-N 1 1 400.526 3.789 40 0 HHABMO O=C(c1cccnc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@H+](Cc3ccccn3)CC[C@@H]21 ZINC000019401851 558883763 /nfs/dbraw/zinc/88/37/63/558883763.db2.gz MCJGZHUFOCMKRJ-HJOGWXRNSA-N 1 1 416.500 3.746 40 0 HHABMO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019462466 558894127 /nfs/dbraw/zinc/89/41/27/558894127.db2.gz WFBBSBFCSMPOSS-SAKMYQHLSA-N 1 1 418.994 3.879 40 0 HHABMO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019462466 558894126 /nfs/dbraw/zinc/89/41/26/558894126.db2.gz WFBBSBFCSMPOSS-SAKMYQHLSA-N 1 1 418.994 3.879 40 0 HHABMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)CC1 ZINC000019500941 558898779 /nfs/dbraw/zinc/89/87/79/558898779.db2.gz QNIDJLJFXFDYKC-CEXWTWQISA-N 1 1 423.552 3.685 40 0 HHABMO CC[C@H]1CCCC[N@H+]1CC(=O)N1C[C@@H](c2cccc(OC)c2)[C@H](c2csnn2)C1 ZINC000019500960 558898789 /nfs/dbraw/zinc/89/87/89/558898789.db2.gz UOHNIWRUFCGOHJ-YSIASYRMSA-N 1 1 414.575 3.521 40 0 HHABMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)[C@@H]2CCCC[C@@H]21 ZINC000019523652 558904841 /nfs/dbraw/zinc/90/48/41/558904841.db2.gz PLOWIXFIWUSPOP-MBPAZGTNSA-N 1 1 411.546 3.941 40 0 HHABMO CCN1CC[N@@H+](Cc2cccnc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527450 558908743 /nfs/dbraw/zinc/90/87/43/558908743.db2.gz NCAMEOAJQGRLBC-XMMPIXPASA-N 1 1 400.526 3.667 40 0 HHABMO CCN1CC[N@@H+](Cc2cccc(C)n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527713 558908920 /nfs/dbraw/zinc/90/89/20/558908920.db2.gz UYSLGQQFNWYFON-QHCPKHFHSA-N 1 1 414.553 3.975 40 0 HHABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2NC(=O)C2CCCC2)cc1OC ZINC000019561445 558922210 /nfs/dbraw/zinc/92/22/10/558922210.db2.gz LSKDKCWEDUSRLF-YADHBBJMSA-N 1 1 408.542 3.978 40 0 HHABMO COc1ccc2[nH]c(C[N@H+]3C[C@@H](c4ccccn4)[C@]4(C3)CCCCC(=O)N4)c(C)c2c1 ZINC000019565526 558925468 /nfs/dbraw/zinc/92/54/68/558925468.db2.gz WRCJIRCEFHMEGF-NBGIEHNGSA-N 1 1 418.541 3.908 40 0 HHABMO COc1cccc2ccc(C[N@H+]3CCC[C@@H](c4cc(C(=O)NC5CC5)on4)C3)nc21 ZINC000019568445 558927498 /nfs/dbraw/zinc/92/74/98/558927498.db2.gz UPWUWHQVPNJQQB-MRXNPFEDSA-N 1 1 406.486 3.503 40 0 HHABMO Cc1cc(NC(=O)[C@@H](C)Cn2cc(Cl)cn2)ccc1NC(=O)C[NH+]1CCCCC1 ZINC000019570950 558929699 /nfs/dbraw/zinc/92/96/99/558929699.db2.gz YWQLTYKICXAPKE-INIZCTEOSA-N 1 1 417.941 3.544 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019579603 558935318 /nfs/dbraw/zinc/93/53/18/558935318.db2.gz AMZCLKFWZXAOLH-DEOSSOPVSA-N 1 1 404.514 3.650 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019580434 558936114 /nfs/dbraw/zinc/93/61/14/558936114.db2.gz RXYAHQQTPSHEMA-VWLOTQADSA-N 1 1 400.526 3.667 40 0 HHABMO Cc1c(C)n(C(=O)C[NH+]2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccccc12 ZINC000072343323 558940857 /nfs/dbraw/zinc/94/08/57/558940857.db2.gz SDEIGZNMGCQCPH-UHFFFAOYSA-N 1 1 416.525 3.775 40 0 HHABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@H+]2CCc2ccc(Cl)cc2)c1 ZINC000072354737 558952021 /nfs/dbraw/zinc/95/20/21/558952021.db2.gz JWIDEADLAICFLD-HXUWFJFHSA-N 1 1 421.932 3.858 40 0 HHABMO O=C(COc1ccc(F)cc1)N1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355215 558952492 /nfs/dbraw/zinc/95/24/92/558952492.db2.gz JKDHCGQCRYSQIF-LJQANCHMSA-N 1 1 411.521 3.545 40 0 HHABMO C[NH+](C)[C@@H](C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1)c1ccc(Cl)cc1 ZINC000019664587 558955038 /nfs/dbraw/zinc/95/50/38/558955038.db2.gz AUIDUFLSSZVEBA-LJQANCHMSA-N 1 1 421.950 3.511 40 0 HHABMO CC(=O)n1cc(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)c2ccccc21 ZINC000072361016 558955748 /nfs/dbraw/zinc/95/57/48/558955748.db2.gz VJAYFFIJKIDZRP-HNNXBMFYSA-N 1 1 418.522 4.000 40 0 HHABMO O=C(c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1ncc[nH]1)N1CCOCC1 ZINC000072370425 558956877 /nfs/dbraw/zinc/95/68/77/558956877.db2.gz GMFVSSNMMDWZHS-KRWDZBQOSA-N 1 1 424.570 3.694 40 0 HHABMO O=C(c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1ncc[nH]1)N1CCOCC1 ZINC000072370425 558956878 /nfs/dbraw/zinc/95/68/78/558956878.db2.gz GMFVSSNMMDWZHS-KRWDZBQOSA-N 1 1 424.570 3.694 40 0 HHABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3nc(C)cs3)n2)cn1 ZINC000072375774 558964598 /nfs/dbraw/zinc/96/45/98/558964598.db2.gz MDHPJBJBIMMGJT-GOSISDBHSA-N 1 1 410.547 3.906 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3nc(C)cs3)n2)cn1 ZINC000072375774 558964599 /nfs/dbraw/zinc/96/45/99/558964599.db2.gz MDHPJBJBIMMGJT-GOSISDBHSA-N 1 1 410.547 3.906 40 0 HHABMO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@@H+]2Cc2cccc3cccnc32)n1 ZINC000019709783 558971646 /nfs/dbraw/zinc/97/16/46/558971646.db2.gz JPBJZTCYBVGFJF-NRFANRHFSA-N 1 1 418.545 3.772 40 0 HHABMO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@H+]2Cc2cccc3cccnc32)n1 ZINC000019709783 558971649 /nfs/dbraw/zinc/97/16/49/558971649.db2.gz JPBJZTCYBVGFJF-NRFANRHFSA-N 1 1 418.545 3.772 40 0 HHABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4oc5ccc(C)cc5c4C)C[C@H]32)c(OC)n1 ZINC000072392639 558972398 /nfs/dbraw/zinc/97/23/98/558972398.db2.gz LOABCTMYMBZSNO-LSRZYVKLSA-N 1 1 423.513 3.586 40 0 HHABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1OC ZINC000072395323 558974066 /nfs/dbraw/zinc/97/40/66/558974066.db2.gz MKJRYAUJEOTHNY-HNNXBMFYSA-N 1 1 417.460 3.849 40 0 HHABMO Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCC[N@H+](C4CCOCC4)C3)on2)cc1 ZINC000072396048 558974930 /nfs/dbraw/zinc/97/49/30/558974930.db2.gz JXBAXCXZVUZFGM-XMMPIXPASA-N 1 1 411.546 3.542 40 0 HHABMO Cc1[nH+]ccn1CCC(=O)NC[C@@H]1CC[C@@H](c2nc(C)ncc2-c2ccccn2)CC1 ZINC000257241122 558993480 /nfs/dbraw/zinc/99/34/80/558993480.db2.gz HWRMUXIBHFPSDO-MXVIHJGJSA-N 1 1 418.545 3.832 40 0 HHABMO C[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)[C@H]1C ZINC000257261589 558995044 /nfs/dbraw/zinc/99/50/44/558995044.db2.gz LHZUQDZNUSSQCI-LVFSCSRESA-N 1 1 402.539 3.507 40 0 HHABMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1 ZINC000585100234 559023834 /nfs/dbraw/zinc/02/38/34/559023834.db2.gz IJNUYKXJMPSAMA-VWLOTQADSA-N 1 1 411.590 3.780 40 0 HHABMO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@@H+](CCOC)C(C)C)C2)CC1 ZINC000585104538 559027045 /nfs/dbraw/zinc/02/70/45/559027045.db2.gz QACFOQDSAWMNKG-OAQYLSRUSA-N 1 1 402.579 3.617 40 0 HHABMO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]21)c1ccncc1 ZINC000585109616 559029382 /nfs/dbraw/zinc/02/93/82/559029382.db2.gz FILWFROEYOBJLZ-KMDXXIMOSA-N 1 1 417.484 3.800 40 0 HHABMO COc1cccc(NC(=O)N2CC[C@H]3[N@@H+](C)CC[C@@]3(C(=O)Nc3ccccc3)CC2)c1 ZINC000096145283 559097254 /nfs/dbraw/zinc/09/72/54/559097254.db2.gz IAYVAUFQXAGFIB-ZJSXRUAMSA-N 1 1 422.529 3.652 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccc5c(c4)OCO5)C3)C2)c1 ZINC000096215639 559101804 /nfs/dbraw/zinc/10/18/04/559101804.db2.gz IAEUGHRBBNBHNL-DEOSSOPVSA-N 1 1 408.498 3.552 40 0 HHABMO CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)n2)C3)cc1 ZINC000096216228 559101817 /nfs/dbraw/zinc/10/18/17/559101817.db2.gz WTMKYXIVJDFEBR-HSZRJFAPSA-N 1 1 413.587 3.629 40 0 HHABMO O=C(C[NH+]1CCC(O)(COc2ccc(Cl)c(Cl)c2)CC1)NCc1ccccc1 ZINC000585273437 559117467 /nfs/dbraw/zinc/11/74/67/559117467.db2.gz OIHZZSRSUGFTFY-UHFFFAOYSA-N 1 1 423.340 3.516 40 0 HHABMO COc1cccc(C[N@H+]2CCc3[nH]c4cc(-c5cc(C)oc5C)nn4c(=O)c3C2)c1 ZINC000100755789 559139770 /nfs/dbraw/zinc/13/97/70/559139770.db2.gz DVEVLJTVGFAWFL-UHFFFAOYSA-N 1 1 404.470 3.879 40 0 HHABMO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257249291 559284408 /nfs/dbraw/zinc/28/44/08/559284408.db2.gz JHODZLPUKPQMLW-UKILVPOCSA-N 1 1 424.541 3.782 40 0 HHABMO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257249291 559284410 /nfs/dbraw/zinc/28/44/10/559284410.db2.gz JHODZLPUKPQMLW-UKILVPOCSA-N 1 1 424.541 3.782 40 0 HHABMO CO[C@]1(COc2ccc(C)cc2)CCC[N@@H+](CC(=O)NCCc2ccccc2)CC1 ZINC000257249391 559284443 /nfs/dbraw/zinc/28/44/43/559284443.db2.gz JICHUYNSUNDKQO-RUZDIDTESA-N 1 1 410.558 3.604 40 0 HHABMO c1ccc(CCC[N@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1 ZINC000035425285 560080294 /nfs/dbraw/zinc/08/02/94/560080294.db2.gz BBWFFELPWGZQIA-NRFANRHFSA-N 1 1 419.529 3.738 40 0 biogenic,in-vitro HHABMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000002409930 560584915 /nfs/dbraw/zinc/58/49/15/560584915.db2.gz ZVKBSENSURYYII-OEMFJLHTSA-N 1 1 400.563 3.812 40 0 HHABMO O=C(C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)N1CCCc2ccccc21 ZINC000004908128 560617873 /nfs/dbraw/zinc/61/78/73/560617873.db2.gz SFAHEXGVQYNNKI-NOTZXAQLSA-N 1 1 417.553 3.781 40 0 HHABMO O=C(C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)N1CCCc2ccccc21 ZINC000004908128 560617874 /nfs/dbraw/zinc/61/78/74/560617874.db2.gz SFAHEXGVQYNNKI-NOTZXAQLSA-N 1 1 417.553 3.781 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020140132 560881318 /nfs/dbraw/zinc/88/13/18/560881318.db2.gz MVHKBOAEFMNUKS-JOCHJYFZSA-N 1 1 422.552 3.865 40 0 HHABMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000004301614 560895433 /nfs/dbraw/zinc/89/54/33/560895433.db2.gz ANGKSUGPKQOCDU-PSLXWICFSA-N 1 1 413.518 3.802 40 0 HHABMO C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224567352 568585540 /nfs/dbraw/zinc/58/55/40/568585540.db2.gz NRDFBMRZFZYQBZ-LJQANCHMSA-N 1 1 404.510 3.756 40 0 HHABMO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224572141 568585711 /nfs/dbraw/zinc/58/57/11/568585711.db2.gz XWEOFKCAEHWEBF-FQEVSTJZSA-N 1 1 402.922 3.646 40 0 HHABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)/C(=C/c1ccco1)c1ccccc1 ZINC000224707218 568593169 /nfs/dbraw/zinc/59/31/69/568593169.db2.gz LHGOYUZKUFSDOB-JJIBRWJFSA-N 1 1 402.494 3.969 40 0 HHABMO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224729226 568593842 /nfs/dbraw/zinc/59/38/42/568593842.db2.gz GMQXNWKVVOSAGL-IBGZPJMESA-N 1 1 410.558 3.900 40 0 HHABMO COc1cccc(-c2cnc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)o2)c1 ZINC000224848909 568600203 /nfs/dbraw/zinc/60/02/03/568600203.db2.gz XTGCNHWLQQXIMI-UHFFFAOYSA-N 1 1 405.498 3.627 40 0 HHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000225300578 568628541 /nfs/dbraw/zinc/62/85/41/568628541.db2.gz XBKLKZPZDIAARN-UHFFFAOYSA-N 1 1 407.861 3.873 40 0 HHABMO CN(CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccccc1 ZINC000225585863 568654745 /nfs/dbraw/zinc/65/47/45/568654745.db2.gz JKGVAIGKOUVZCN-UHFFFAOYSA-N 1 1 403.929 3.944 40 0 HHABMO COC(=O)c1ccc(Cl)c(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000225743439 568670612 /nfs/dbraw/zinc/67/06/12/568670612.db2.gz ICAWPYLUBYYSKE-UHFFFAOYSA-N 1 1 417.962 3.861 40 0 HHABMO O=C(CCc1nc(-c2cccc(Cl)c2)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225809163 568676312 /nfs/dbraw/zinc/67/63/12/568676312.db2.gz SZKCVOQXQIRJHY-UHFFFAOYSA-N 1 1 410.905 3.667 40 0 HHABMO Cc1cc(Nc2ncccc2C)cc([C@H]2CN(C(=O)c3cc(C(C)C)n[nH]3)CCO2)[nH+]1 ZINC000257217576 568781206 /nfs/dbraw/zinc/78/12/06/568781206.db2.gz CZOFIEFBNGSLNT-OAQYLSRUSA-N 1 1 420.517 3.897 40 0 HHABMO COCCc1ncc(C[N@H+]2CC[C@@H](c3cc(Nc4ccc(F)cn4)cc(C)n3)C2)cn1 ZINC000257245974 568789001 /nfs/dbraw/zinc/78/90/01/568789001.db2.gz IRYAAFGRTCZHEW-GOSISDBHSA-N 1 1 422.508 3.636 40 0 HHABMO Cn1nc([C@H]2C[N@H+](CCc3ccccc3)CCO2)cc1CCOc1cccc(F)c1 ZINC000257262682 568793534 /nfs/dbraw/zinc/79/35/34/568793534.db2.gz LMKDLMVDSHTUHN-XMMPIXPASA-N 1 1 409.505 3.797 40 0 HHABMO Cn1nc([C@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1CCOc1cccc(F)c1 ZINC000257262682 568793535 /nfs/dbraw/zinc/79/35/35/568793535.db2.gz LMKDLMVDSHTUHN-XMMPIXPASA-N 1 1 409.505 3.797 40 0 HHABMO Cc1cc(Nc2ncccc2C)cc([C@H]2CN(C(=O)COc3ccccc3)CCO2)[nH+]1 ZINC000257274905 568796952 /nfs/dbraw/zinc/79/69/52/568796952.db2.gz NNDXYGFATFFDPP-JOCHJYFZSA-N 1 1 418.497 3.816 40 0 HHABMO CC(C)c1[nH+]ccn1CCC(=O)N1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257288936 568800972 /nfs/dbraw/zinc/80/09/72/568800972.db2.gz PWHVLQMNPKKAHS-CZSZKKDXSA-N 1 1 422.573 3.668 40 0 HHABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1-c1ccccc1OC ZINC000257303735 568805700 /nfs/dbraw/zinc/80/57/00/568805700.db2.gz SILYGNQPXABSBM-VWLOTQADSA-N 1 1 401.510 3.995 40 0 HHABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1-c1ccccc1OC ZINC000257303735 568805702 /nfs/dbraw/zinc/80/57/02/568805702.db2.gz SILYGNQPXABSBM-VWLOTQADSA-N 1 1 401.510 3.995 40 0 HHABMO Cc1cc(N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)nc(C)[nH+]1 ZINC000257304809 568805961 /nfs/dbraw/zinc/80/59/61/568805961.db2.gz SNFKNGZMBLSMCS-HXUWFJFHSA-N 1 1 413.909 3.669 40 0 HHABMO c1cnc2c(c1)cccc2C[C@@H]1COCC[N@@H+](Cc2ccnc(N3CCCCC3)n2)C1 ZINC000257313996 568808400 /nfs/dbraw/zinc/80/84/00/568808400.db2.gz UUYWLFGBPYAGMF-FQEVSTJZSA-N 1 1 417.557 3.706 40 0 HHABMO C[C@]1(O)C[N@@H+](Cc2ccc(N3CCCC3=O)cc2)CC[C@@H]1Oc1cccc(Cl)c1 ZINC000257314265 568808637 /nfs/dbraw/zinc/80/86/37/568808637.db2.gz UWCOTLJZLWZLEG-GMAHTHKFSA-N 1 1 414.933 3.871 40 0 HHABMO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3cnn(C(C)C)c3)CC2)S1(=O)=O ZINC000306124389 568887473 /nfs/dbraw/zinc/88/74/73/568887473.db2.gz BOJQZUZJKKVBHX-UHFFFAOYSA-N 1 1 416.591 3.761 40 0 HHABMO Cc1cc(C)cc(C[N@@H+]2C[C@@H](c3ccnn3C)[C@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000306125067 568887977 /nfs/dbraw/zinc/88/79/77/568887977.db2.gz CGBLOCVMVAJZQO-WIOPSUGQSA-N 1 1 406.574 3.655 40 0 HHABMO Cc1cc(C)cc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306126522 568889304 /nfs/dbraw/zinc/88/93/04/568889304.db2.gz DYHOOFSIIXGVKI-OAQYLSRUSA-N 1 1 405.546 3.562 40 0 HHABMO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3cccc(C)c3)C[C@H]1S2(=O)=O ZINC000306130838 568893254 /nfs/dbraw/zinc/89/32/54/568893254.db2.gz JRBADRVUPOSVBR-FYYLOGMGSA-N 1 1 420.534 3.821 40 0 HHABMO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3cccc(C)c3)C[C@H]1S2(=O)=O ZINC000306130838 568893255 /nfs/dbraw/zinc/89/32/55/568893255.db2.gz JRBADRVUPOSVBR-FYYLOGMGSA-N 1 1 420.534 3.821 40 0 HHABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306131375 568893666 /nfs/dbraw/zinc/89/36/66/568893666.db2.gz KCUFCLVHQPOPAK-RDPSFJRHSA-N 1 1 410.537 3.831 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]32)cs1 ZINC000306132393 568894652 /nfs/dbraw/zinc/89/46/52/568894652.db2.gz LHJBXLIJPHENTM-UXHICEINSA-N 1 1 412.946 3.988 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccc(Cl)cc4)C[C@@H]32)cs1 ZINC000306132393 568894654 /nfs/dbraw/zinc/89/46/54/568894654.db2.gz LHJBXLIJPHENTM-UXHICEINSA-N 1 1 412.946 3.988 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccc(C)c4)C[C@H]32)cc1 ZINC000306135518 568897410 /nfs/dbraw/zinc/89/74/10/568897410.db2.gz OTWKLBWLBVLVFO-BJKOFHAPSA-N 1 1 401.510 3.887 40 0 HHABMO Cc1ncsc1C[N@H+]1CCN(C)[C@@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306137988 568899933 /nfs/dbraw/zinc/89/99/33/568899933.db2.gz RLTMJUZCJDNXHI-HXUWFJFHSA-N 1 1 404.543 3.650 40 0 HHABMO Cc1ncsc1C[N@@H+]1CCN(C)[C@@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306137988 568899936 /nfs/dbraw/zinc/89/99/36/568899936.db2.gz RLTMJUZCJDNXHI-HXUWFJFHSA-N 1 1 404.543 3.650 40 0 HHABMO Cc1cnc(C(=O)N[C@H]2CCCC[C@]23C[N@@H+](C[C@@H]2CCC(C)=C[C@@H]2C)CCO3)cn1 ZINC000306139181 568900828 /nfs/dbraw/zinc/90/08/28/568900828.db2.gz SRMVJUOZJKXZBS-NHTRMHBPSA-N 1 1 412.578 3.521 40 0 HHABMO Clc1ccccc1C[N@H+]1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306140399 568902281 /nfs/dbraw/zinc/90/22/81/568902281.db2.gz USGZPIWYKQYZGW-SFHVURJKSA-N 1 1 411.937 3.599 40 0 HHABMO CC(C)c1nc(NCCCO)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000328992470 568971508 /nfs/dbraw/zinc/97/15/08/568971508.db2.gz IVHISLHDPLTVSE-UHFFFAOYSA-N 1 1 410.440 3.856 40 0 HHABMO CSc1nnc([C@@H]2CCCN2C(=O)[C@H](c2ccccc2)[N@H+]2CCCC[C@@H]2C)n1C ZINC000019496310 569345595 /nfs/dbraw/zinc/34/55/95/569345595.db2.gz HBZOVRZEMGDEEB-WDSOQIARSA-N 1 1 413.591 3.816 40 0 HHABMO CC[C@H](C)C[N@H+]1CCC[C@@H](C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)C1 ZINC000019499911 569345674 /nfs/dbraw/zinc/34/56/74/569345674.db2.gz ASAWMYHRLAUDGZ-PZJWPPBQSA-N 1 1 400.563 3.715 40 0 HHABMO COc1ccc(-c2nc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)[nH]c2C(N)=O)cc1 ZINC000019698968 569346965 /nfs/dbraw/zinc/34/69/65/569346965.db2.gz XQCIUDWNDZNJJQ-LJQANCHMSA-N 1 1 404.514 3.606 40 0 HHABMO Cn1cc2c(n1)[C@@H](C(=O)Nc1ccccc1F)C[N@H+](Cc1cccc3ncccc13)C2 ZINC000019701571 569347320 /nfs/dbraw/zinc/34/73/20/569347320.db2.gz NMZLGZZMBRWVFN-IBGZPJMESA-N 1 1 415.472 3.846 40 0 HHABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857166 569352125 /nfs/dbraw/zinc/35/21/25/569352125.db2.gz ZGWDCUDXENNKEL-ROUUACIJSA-N 1 1 414.571 3.813 40 0 HHABMO COC(=O)c1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NC3CCCCC3)n1)C2 ZINC000328991998 571306971 /nfs/dbraw/zinc/30/69/71/571306971.db2.gz IUWHTBYYIBNRPZ-UHFFFAOYSA-N 1 1 406.530 4.448 40 0 HHABMO CC1=C[C@@H](C[N@H+]2CCC[C@H]2CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442655 291248713 /nfs/dbraw/zinc/24/87/13/291248713.db2.gz SXGRCAWNAYOVNS-CMOCDZPBSA-N 1 1 410.562 3.985 40 0 biogenic,in-vitro HHABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(OC)cc3)n2)cn1 ZINC000035425373 291251485 /nfs/dbraw/zinc/25/14/85/291251485.db2.gz NKPLSPPQLCLMPQ-IBGZPJMESA-N 1 1 410.474 3.503 40 0 biogenic,in-vitro HHABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(OC)cc3)n2)cn1 ZINC000035425373 291251488 /nfs/dbraw/zinc/25/14/88/291251488.db2.gz NKPLSPPQLCLMPQ-IBGZPJMESA-N 1 1 410.474 3.503 40 0 biogenic,in-vitro HHABMO OC1(c2csc(CN3CCc4ccccc4C3)n2)CC[NH+](Cc2ccccn2)CC1 ZINC000225473931 291260264 /nfs/dbraw/zinc/26/02/64/291260264.db2.gz FCEUYHPXYVNGBC-UHFFFAOYSA-N 1 1 420.582 3.580 40 0 biogenic,in-vitro HHABMO COc1cc(CNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc(OC)c1OC ZINC000044917672 522434023 /nfs/dbraw/zinc/43/40/23/522434023.db2.gz ZNABGLSCLYVOHV-QGZVFWFLSA-N 1 1 412.530 3.874 40 0 HHABMO CC(C)Nc1[nH]nc2nc([C@@H]3CCCN3C(=O)C[NH+]3CCCC3)cc(C(F)(F)F)c21 ZINC000019742360 558262739 /nfs/dbraw/zinc/26/27/39/558262739.db2.gz KLHCQUKOTBGNKF-HNNXBMFYSA-N 1 1 424.471 3.556 40 0 HHABMO CCCn1c(C[NH+]2CCC(c3ccc(C(=O)N(C)C)c(N)n3)CC2)nc2ccccc21 ZINC000019765921 558278325 /nfs/dbraw/zinc/27/83/25/558278325.db2.gz WUOBMDPIOJGZNZ-UHFFFAOYSA-N 1 1 420.561 3.505 40 0 HHABMO COc1ccc2[nH]c(C[N@H+]3CCc4nc(-c5ccccn5)[nH]c(=O)c4C3)c(C)c2c1 ZINC000012122455 558330764 /nfs/dbraw/zinc/33/07/64/558330764.db2.gz AZBXNGSSAVMZNP-UHFFFAOYSA-N 1 1 401.470 3.601 40 0 HHABMO COCCOc1cc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)ccc1OC ZINC000012122182 558330776 /nfs/dbraw/zinc/33/07/76/558330776.db2.gz XFRYMHYLDYHCFI-UHFFFAOYSA-N 1 1 413.514 3.664 40 0 HHABMO COc1ccc(S[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000020110961 558335857 /nfs/dbraw/zinc/33/58/57/558335857.db2.gz GWENMVOIZLCUGO-OAHLLOKOSA-N 1 1 411.527 3.995 40 0 HHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000020112533 558336294 /nfs/dbraw/zinc/33/62/94/558336294.db2.gz ZVBQEKBVVCWANQ-UHFFFAOYSA-N 1 1 414.303 3.947 40 0 HHABMO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2ccccc2F)C3)c(OCC)n1 ZINC000012181045 558342699 /nfs/dbraw/zinc/34/26/99/558342699.db2.gz OMENZMXUVDRPHF-NHJWOMDBSA-N 1 1 415.509 3.533 40 0 HHABMO COc1ccc(C[N@@H+](Cc2coc3ccccc3c2=O)C[C@@H]2CCCO2)cc1OC ZINC000012187326 558346238 /nfs/dbraw/zinc/34/62/38/558346238.db2.gz CEOLJFZBFBISBT-IBGZPJMESA-N 1 1 409.482 3.991 40 0 HHABMO COc1ccc(C[N@H+](Cc2coc3ccccc3c2=O)C[C@@H]2CCCO2)cc1OC ZINC000012187326 558346240 /nfs/dbraw/zinc/34/62/40/558346240.db2.gz CEOLJFZBFBISBT-IBGZPJMESA-N 1 1 409.482 3.991 40 0 HHABMO CCOc1cc2c(cc1C[NH+]1CCC(NC(C)=O)(c3ccccc3F)CC1)OCO2 ZINC000012292806 558365937 /nfs/dbraw/zinc/36/59/37/558365937.db2.gz SAEVCOUMVMPAFN-UHFFFAOYSA-N 1 1 414.477 3.581 40 0 HHABMO COCCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1OC ZINC000012293197 558366240 /nfs/dbraw/zinc/36/62/40/558366240.db2.gz DBLRQEXYIDMYQY-QRQCMCJISA-N 1 1 415.505 3.874 40 0 HHABMO CCC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000012365814 558387909 /nfs/dbraw/zinc/38/79/09/558387909.db2.gz HGXGWBLBQOCZFZ-UZLBHIALSA-N 1 1 403.548 3.640 40 0 HHABMO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020893139 558419969 /nfs/dbraw/zinc/41/99/69/558419969.db2.gz RTRKXFMVCRGPPY-UHFFFAOYSA-N 1 1 410.905 3.667 40 0 HHABMO O=C(CCSc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217535 558833868 /nfs/dbraw/zinc/83/38/68/558833868.db2.gz BDYCJVUCLXZDLO-UHFFFAOYSA-N 1 1 404.963 3.971 40 0 HHABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000019235044 558854128 /nfs/dbraw/zinc/85/41/28/558854128.db2.gz CWCQCFWGISCEPV-SANMLTNESA-N 1 1 415.537 3.617 40 0 HHABMO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000019235046 558854154 /nfs/dbraw/zinc/85/41/54/558854154.db2.gz QCCTZVFHOQVKCB-SANMLTNESA-N 1 1 415.537 3.617 40 0 HHABMO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292921 558864741 /nfs/dbraw/zinc/86/47/41/558864741.db2.gz UXROIZRDSCIGAT-KRWDZBQOSA-N 1 1 412.440 3.657 40 0 HHABMO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292921 558864744 /nfs/dbraw/zinc/86/47/44/558864744.db2.gz UXROIZRDSCIGAT-KRWDZBQOSA-N 1 1 412.440 3.657 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000019400649 558883429 /nfs/dbraw/zinc/88/34/29/558883429.db2.gz DAAOFDQYLIZYNN-WMZHIEFXSA-N 1 1 404.489 3.999 40 0 HHABMO C[C@@H]1CCC[N@@H+](CC(C)(C)NC(=O)CCc2nc(-c3ccccc3Cl)no2)C1 ZINC000019496530 558895534 /nfs/dbraw/zinc/89/55/34/558895534.db2.gz IXPMSVUHBBRVMQ-OAHLLOKOSA-N 1 1 404.942 3.949 40 0 HHABMO COc1cc(C[N@@H+]2CCc3sccc3[C@H]2C)ccc1OCCN1CCOCC1 ZINC000019498360 558897018 /nfs/dbraw/zinc/89/70/18/558897018.db2.gz NZVHLCBNGYTHNR-QGZVFWFLSA-N 1 1 402.560 3.587 40 0 HHABMO COc1cc(C[N@H+]2CCc3sccc3[C@H]2C)ccc1OCCN1CCOCC1 ZINC000019498360 558897021 /nfs/dbraw/zinc/89/70/21/558897021.db2.gz NZVHLCBNGYTHNR-QGZVFWFLSA-N 1 1 402.560 3.587 40 0 HHABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccc4cc(OC)ccc4n3)C2)no1 ZINC000019503697 558900763 /nfs/dbraw/zinc/90/07/63/558900763.db2.gz NYORPSPDYAFIJV-KRWDZBQOSA-N 1 1 408.502 3.751 40 0 HHABMO CCN1CC[N@@H+](Cc2ccncc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527453 558908705 /nfs/dbraw/zinc/90/87/05/558908705.db2.gz GETWEKBQRAGOMT-DEOSSOPVSA-N 1 1 400.526 3.667 40 0 HHABMO CCOc1cc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)ccc1OC ZINC000019532021 558912317 /nfs/dbraw/zinc/91/23/17/558912317.db2.gz IUTBAPCAMNIWQK-HXUWFJFHSA-N 1 1 420.513 3.966 40 0 HHABMO CCOc1cc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)ccc1OC ZINC000019532021 558912318 /nfs/dbraw/zinc/91/23/18/558912318.db2.gz IUTBAPCAMNIWQK-HXUWFJFHSA-N 1 1 420.513 3.966 40 0 HHABMO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000019568946 558928078 /nfs/dbraw/zinc/92/80/78/558928078.db2.gz KMKKTGZJLXUWPQ-AWEZNQCLSA-N 1 1 420.439 3.786 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)[C@@H]1CCCO1 ZINC000072330602 558935085 /nfs/dbraw/zinc/93/50/85/558935085.db2.gz DWHQBTCVRJYDIW-WTNAPCKOSA-N 1 1 415.484 3.608 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019580455 558936025 /nfs/dbraw/zinc/93/60/25/558936025.db2.gz ZUZBIIKNSPISHP-VWLOTQADSA-N 1 1 400.526 3.667 40 0 HHABMO COc1ccc(OC)c(C(=O)N(C)C2CCC3(CC2)C[N@@H+](C)Cc2ccccc2O3)c1 ZINC000019590860 558940876 /nfs/dbraw/zinc/94/08/76/558940876.db2.gz YSYJWQRVEMRDGC-UHFFFAOYSA-N 1 1 424.541 3.982 40 0 HHABMO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000019591700 558942384 /nfs/dbraw/zinc/94/23/84/558942384.db2.gz XPLBDYSPNUOJMK-AREMUKBSSA-N 1 1 415.537 3.938 40 0 HHABMO COCCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)cc1 ZINC000019593715 558944752 /nfs/dbraw/zinc/94/47/52/558944752.db2.gz CUSHBVMKFQNDLK-QFIPXVFZSA-N 1 1 420.513 3.584 40 0 HHABMO CC[NH+](CC)[C@@H]1Oc2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]1C)OCO3 ZINC000061887402 558947202 /nfs/dbraw/zinc/94/72/02/558947202.db2.gz OMMBEWHNDYJBLZ-SXCAWEJJSA-N 1 1 415.486 3.966 40 0 HHABMO COc1ccc(OCC2CC[NH+]([C@@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)cc1 ZINC000019656903 558949659 /nfs/dbraw/zinc/94/96/59/558949659.db2.gz LLQUMIBDRQDBIC-HNNXBMFYSA-N 1 1 403.548 3.887 40 0 HHABMO O=C(C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCCC1 ZINC000072359396 558954977 /nfs/dbraw/zinc/95/49/77/558954977.db2.gz DXCGORAUJXHYES-KRWDZBQOSA-N 1 1 418.463 3.964 40 0 HHABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@H+]2CCc2ccccc2)n1 ZINC000019690430 558959808 /nfs/dbraw/zinc/95/98/08/558959808.db2.gz UUHLLZXUBNMONU-QFIPXVFZSA-N 1 1 415.541 3.688 40 0 HHABMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1)N1CCCCC1 ZINC000072374494 558962193 /nfs/dbraw/zinc/96/21/93/558962193.db2.gz IOOHUEWHNXJWMJ-OAQYLSRUSA-N 1 1 418.545 3.719 40 0 HHABMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1)N1CCCCC1 ZINC000072374494 558962196 /nfs/dbraw/zinc/96/21/96/558962196.db2.gz IOOHUEWHNXJWMJ-OAQYLSRUSA-N 1 1 418.545 3.719 40 0 HHABMO Cc1c(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cnn1C ZINC000019694083 558962370 /nfs/dbraw/zinc/96/23/70/558962370.db2.gz UHAMWWCZQGUENH-GOSISDBHSA-N 1 1 408.525 3.770 40 0 HHABMO COc1cccc(CN2CC=CC[C@H](C3CCN(c4cc(C)[nH+]c(C)n4)CC3)C2=O)c1 ZINC000019698351 558965951 /nfs/dbraw/zinc/96/59/51/558965951.db2.gz WNKRGVOPBXSLCI-HSZRJFAPSA-N 1 1 420.557 3.923 40 0 HHABMO CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@@H+](C)CCc2ccccn2)C1 ZINC000072389823 558970213 /nfs/dbraw/zinc/97/02/13/558970213.db2.gz MKJCXKUZHXLBPW-SFHVURJKSA-N 1 1 405.546 3.748 40 0 HHABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cccc(Cl)c4Cl)C[C@H]32)c(OC)n1 ZINC000072392599 558972420 /nfs/dbraw/zinc/97/24/20/558972420.db2.gz XETROFOTTAYKHQ-PGICJIBASA-N 1 1 424.328 3.530 40 0 HHABMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1 ZINC000585100228 559023777 /nfs/dbraw/zinc/02/37/77/559023777.db2.gz IJNUYKXJMPSAMA-RUZDIDTESA-N 1 1 411.590 3.780 40 0 HHABMO CN(C)c1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]3C[C@@H]3CCCO3)C2)c2ccccc21 ZINC000585101948 559025154 /nfs/dbraw/zinc/02/51/54/559025154.db2.gz NBHQEGVWMSRCNP-UQBPGWFLSA-N 1 1 407.558 3.765 40 0 HHABMO CC(C)n1cc(C[N@H+]2CCC[C@]3(C[C@@H](NC(=O)OCc4ccccc4)CO3)C2)cn1 ZINC000585102403 559026157 /nfs/dbraw/zinc/02/61/57/559026157.db2.gz HFWWMCABYRSAPF-GGAORHGYSA-N 1 1 412.534 3.514 40 0 HHABMO O=C(c1cccc(F)c1)N1CCC2(C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000585113485 559031399 /nfs/dbraw/zinc/03/13/99/559031399.db2.gz PWLNZIVGQVVMQX-VWLOTQADSA-N 1 1 408.517 3.971 40 0 HHABMO CCOc1ccc(C(=O)N2CCc3ncc(-c4cccc5c4C[N@@H+](C)C5)n3CC2)cc1 ZINC000585111269 559031851 /nfs/dbraw/zinc/03/18/51/559031851.db2.gz MDDSOHNVVHCSGW-UHFFFAOYSA-N 1 1 416.525 3.593 40 0 HHABMO CCc1cccc(NC(=O)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096239948 559103499 /nfs/dbraw/zinc/10/34/99/559103499.db2.gz KLMFCLOMWGALSP-UHFFFAOYSA-N 1 1 408.546 3.791 40 0 HHABMO CCc1ccc(NC(=O)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC000096239949 559103559 /nfs/dbraw/zinc/10/35/59/559103559.db2.gz NKNKVZBKAVZGPI-UHFFFAOYSA-N 1 1 408.546 3.791 40 0 HHABMO CCc1cccc(NC(=O)N2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC000096239899 559103570 /nfs/dbraw/zinc/10/35/70/559103570.db2.gz XJWJGIDHTASAED-UHFFFAOYSA-N 1 1 408.546 3.791 40 0 HHABMO CO[C@H]1C[N@@H+](Cc2ccc(OCCn3ccnc3C)cc2)C[C@@H]1Oc1cccc(C)c1 ZINC000585268751 559113674 /nfs/dbraw/zinc/11/36/74/559113674.db2.gz CCXNWVBFZWCLPH-DQEYMECFSA-N 1 1 421.541 3.857 40 0 HHABMO O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc(OCCCn3cccn3)cc2)C1 ZINC000585273698 559118314 /nfs/dbraw/zinc/11/83/14/559118314.db2.gz QKGYBCGCLYKRQT-VWLOTQADSA-N 1 1 421.541 3.758 40 0 HHABMO COc1ccccc1-c1cccc(CC2(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CCOCC2)c1 ZINC000257235467 559284137 /nfs/dbraw/zinc/28/41/37/559284137.db2.gz GXZJPQSYUKUDAT-JOCHJYFZSA-N 1 1 422.569 3.912 40 0 HHABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2OCc2cccc(F)c2)C1 ZINC000257283052 559285336 /nfs/dbraw/zinc/28/53/36/559285336.db2.gz OWOVCPGJLULNDQ-VWLOTQADSA-N 1 1 419.500 3.819 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[NH+]1CCCCCC1 ZINC000000907717 560545789 /nfs/dbraw/zinc/54/57/89/560545789.db2.gz ADTOLSRRVCHVEG-FQEVSTJZSA-N 1 1 408.550 3.934 40 0 HHABMO O=C(C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1cccc(F)c1 ZINC000001380625 560582800 /nfs/dbraw/zinc/58/28/00/560582800.db2.gz JOHNWSSBXBETHC-UHFFFAOYSA-N 1 1 421.398 3.865 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161727 560601934 /nfs/dbraw/zinc/60/19/34/560601934.db2.gz IBCHGPAGYKXNSJ-JXFKEZNVSA-N 1 1 408.550 3.789 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161727 560601936 /nfs/dbraw/zinc/60/19/36/560601936.db2.gz IBCHGPAGYKXNSJ-JXFKEZNVSA-N 1 1 408.550 3.789 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161792 560601981 /nfs/dbraw/zinc/60/19/81/560601981.db2.gz OBLZWGAQPNKKDH-MGPUTAFESA-N 1 1 408.550 3.789 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161792 560601982 /nfs/dbraw/zinc/60/19/82/560601982.db2.gz OBLZWGAQPNKKDH-MGPUTAFESA-N 1 1 408.550 3.789 40 0 HHABMO COc1ccc(NC(=O)C[NH+]2CCC(n3c(C)nc4ccccc43)CC2)c(OC)c1 ZINC000004858203 560612138 /nfs/dbraw/zinc/61/21/38/560612138.db2.gz GYOSNMWAFYZYPZ-UHFFFAOYSA-N 1 1 408.502 3.638 40 0 HHABMO Fc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019372141 560872895 /nfs/dbraw/zinc/87/28/95/560872895.db2.gz VSZPDICGZMCULH-HSZRJFAPSA-N 1 1 420.536 3.835 40 0 HHABMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000005185586 568442595 /nfs/dbraw/zinc/44/25/95/568442595.db2.gz KHSPNQFTGFMJJP-FOVJLYNBSA-N 1 1 414.546 3.532 40 0 HHABMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000005185586 568442596 /nfs/dbraw/zinc/44/25/96/568442596.db2.gz KHSPNQFTGFMJJP-FOVJLYNBSA-N 1 1 414.546 3.532 40 0 HHABMO COc1ccc2cc(S(=O)(=O)NCc3ccccc3-n3cc[nH+]c3C)ccc2c1 ZINC000223036909 568535139 /nfs/dbraw/zinc/53/51/39/568535139.db2.gz RIQBXMNPZACEGC-UHFFFAOYSA-N 1 1 407.495 3.821 40 0 HHABMO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224572097 568585809 /nfs/dbraw/zinc/58/58/09/568585809.db2.gz XWEOFKCAEHWEBF-HXUWFJFHSA-N 1 1 402.922 3.646 40 0 HHABMO O=C(CSCc1ccccc1Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224706636 568593183 /nfs/dbraw/zinc/59/31/83/568593183.db2.gz VVWIFAJRHPHEOD-UHFFFAOYSA-N 1 1 404.963 3.722 40 0 HHABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000225731379 568668716 /nfs/dbraw/zinc/66/87/16/568668716.db2.gz CWPFMKHOJGCRDU-KDURUIRLSA-N 1 1 416.635 3.967 40 0 HHABMO CCOc1ccc([C@@H](c2nnnn2C(C)C)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000096299528 568721657 /nfs/dbraw/zinc/72/16/57/568721657.db2.gz XPILTQDRKPZSTL-QHCPKHFHSA-N 1 1 420.561 3.560 40 0 HHABMO COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000260845562 568742056 /nfs/dbraw/zinc/74/20/56/568742056.db2.gz TYBAQKQSSABVHX-WMZOPIPTSA-N 1 1 400.494 3.932 40 0 HHABMO O=C(C[N@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000257209153 568778676 /nfs/dbraw/zinc/77/86/76/568778676.db2.gz BPFIDIVWBROAMK-NHCUHLMSSA-N 1 1 413.468 3.559 40 0 HHABMO O=C(C[N@@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000257209153 568778677 /nfs/dbraw/zinc/77/86/77/568778677.db2.gz BPFIDIVWBROAMK-NHCUHLMSSA-N 1 1 413.468 3.559 40 0 HHABMO C[N@@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)COc4cccnc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257229912 568784852 /nfs/dbraw/zinc/78/48/52/568784852.db2.gz FZYWVPDUHZQVKT-TYUWDEHNSA-N 1 1 419.569 3.936 40 0 HHABMO CC(C)c1ccc(C[N@@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1 ZINC000257248020 568789743 /nfs/dbraw/zinc/78/97/43/568789743.db2.gz JBRVHTXVMFIZQT-QHCPKHFHSA-N 1 1 416.949 3.989 40 0 HHABMO CC(C)c1ccc(C[N@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1 ZINC000257248020 568789744 /nfs/dbraw/zinc/78/97/44/568789744.db2.gz JBRVHTXVMFIZQT-QHCPKHFHSA-N 1 1 416.949 3.989 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3cc(Nc4nccs4)cc(C)n3)C2)cn1 ZINC000257251652 568790740 /nfs/dbraw/zinc/79/07/40/568790740.db2.gz JRPHEKOPDFRTIP-GOSISDBHSA-N 1 1 424.574 3.949 40 0 HHABMO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000257254444 568791461 /nfs/dbraw/zinc/79/14/61/568791461.db2.gz KDCGAAVWUGXBEL-VWLOTQADSA-N 1 1 416.525 3.635 40 0 HHABMO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000257254444 568791464 /nfs/dbraw/zinc/79/14/64/568791464.db2.gz KDCGAAVWUGXBEL-VWLOTQADSA-N 1 1 416.525 3.635 40 0 HHABMO CCCn1c[nH+]c2cc(N[C@H](c3cnc(C(C)C)nc3)[C@@H]3COCC[C@@H]3O)ccc21 ZINC000257254635 568791480 /nfs/dbraw/zinc/79/14/80/568791480.db2.gz KEBICCSJSYLBBK-BVYCBKJFSA-N 1 1 409.534 3.910 40 0 HHABMO COc1ccc(CC[N@@H+]2CCO[C@@H](c3cncc(-c4cccc(OC)c4)n3)C2)cc1 ZINC000257267882 568795071 /nfs/dbraw/zinc/79/50/71/568795071.db2.gz MJESPIGMLOVHFQ-XMMPIXPASA-N 1 1 405.498 3.777 40 0 HHABMO COc1ccc(CC[N@H+]2CCO[C@@H](c3cncc(-c4cccc(OC)c4)n3)C2)cc1 ZINC000257267882 568795073 /nfs/dbraw/zinc/79/50/73/568795073.db2.gz MJESPIGMLOVHFQ-XMMPIXPASA-N 1 1 405.498 3.777 40 0 HHABMO CCc1nccn1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)[C@H]2Cc1ccccc1 ZINC000257269543 568795505 /nfs/dbraw/zinc/79/55/05/568795505.db2.gz MQKQAKOXFDZKCK-FMLGWJCWSA-N 1 1 420.601 3.921 40 0 HHABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4cccc(OCCO)c4)[C@@H]3C[C@H]21 ZINC000257279533 568798367 /nfs/dbraw/zinc/79/83/67/568798367.db2.gz OHCGZUVXROFDOK-KOVSNXQUSA-N 1 1 409.526 3.949 40 0 HHABMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(OC)c2)o1 ZINC000257321498 568810894 /nfs/dbraw/zinc/81/08/94/568810894.db2.gz WBXWWWNHNWCCCZ-FQEVSTJZSA-N 1 1 408.502 3.787 40 0 HHABMO Cc1nc(CN2CC[C@@]3(C[N@@H+](C4CCC4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306123803 568886723 /nfs/dbraw/zinc/88/67/23/568886723.db2.gz AXHTXKOQMZEGPT-KNQAVFIVSA-N 1 1 413.591 3.600 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccc(C)s4)C[C@@H]32)cc1 ZINC000306130896 568893372 /nfs/dbraw/zinc/89/33/72/568893372.db2.gz JSFIJIDXVJLRLT-VXKWHMMOSA-N 1 1 407.539 3.948 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@@H]32)cs1 ZINC000306132815 568895074 /nfs/dbraw/zinc/89/50/74/568895074.db2.gz LTAAAYYJQPUQLB-PMACEKPBSA-N 1 1 412.946 3.988 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@@H]32)cs1 ZINC000306132815 568895076 /nfs/dbraw/zinc/89/50/76/568895076.db2.gz LTAAAYYJQPUQLB-PMACEKPBSA-N 1 1 412.946 3.988 40 0 HHABMO COc1ccc(C[N@H+]2CC[C@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)cc1 ZINC000306135298 568897130 /nfs/dbraw/zinc/89/71/30/568897130.db2.gz OMUQLEYOJJWADV-HSZRJFAPSA-N 1 1 405.523 3.956 40 0 HHABMO CN1CCN(C(=O)Cc2cccs2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306142957 568904410 /nfs/dbraw/zinc/90/44/10/568904410.db2.gz XPDZISMZNRUMJU-NRFANRHFSA-N 1 1 417.538 3.516 40 0 HHABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306144081 568905481 /nfs/dbraw/zinc/90/54/81/568905481.db2.gz YVQJQAJXLGKXFQ-ZJSXRUAMSA-N 1 1 410.537 3.831 40 0 HHABMO Cc1nc(N[C@H](CO)C(C)C)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000329005246 568972242 /nfs/dbraw/zinc/97/22/42/568972242.db2.gz KXGLRVDZSQGHII-QGZVFWFLSA-N 1 1 410.440 3.675 40 0 HHABMO OCCCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329022098 568973034 /nfs/dbraw/zinc/97/30/34/568973034.db2.gz OKAXAHMXHUUUSN-UHFFFAOYSA-N 1 1 408.424 3.610 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)[C@H]1CCCO1 ZINC000247469375 569315391 /nfs/dbraw/zinc/31/53/91/569315391.db2.gz DWHQBTCVRJYDIW-YHYVQYDKSA-N 1 1 415.484 3.608 40 0 HHABMO C[C@@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000248156382 569316621 /nfs/dbraw/zinc/31/66/21/569316621.db2.gz VVOUDYGERREZBV-UYAOXDASSA-N 1 1 418.541 3.556 40 0 HHABMO NC(=O)c1ccc(-c2ccc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)nc2)cc1 ZINC000019693656 569346490 /nfs/dbraw/zinc/34/64/90/569346490.db2.gz IRSDGVZVLLFQMP-VWLOTQADSA-N 1 1 424.504 3.969 40 0 HHABMO NC(=O)c1ccc(-c2ccc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)nc2)cc1 ZINC000019693656 569346491 /nfs/dbraw/zinc/34/64/91/569346491.db2.gz IRSDGVZVLLFQMP-VWLOTQADSA-N 1 1 424.504 3.969 40 0 HHABMO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000019701981 569347369 /nfs/dbraw/zinc/34/73/69/569347369.db2.gz UDINNFVWQNPDBC-INIZCTEOSA-N 1 1 413.518 3.801 40 0 HHABMO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000019695998 569428593 /nfs/dbraw/zinc/42/85/93/569428593.db2.gz NWTOHWSGRNQTCM-XMMPIXPASA-N 1 1 423.488 3.540 40 0 HHABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857165 525211722 /nfs/dbraw/zinc/21/17/22/525211722.db2.gz ZGWDCUDXENNKEL-MSOLQXFVSA-N 1 1 414.571 3.813 40 0 HHABMO Cc1cc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1Cl ZINC000042143139 525383080 /nfs/dbraw/zinc/38/30/80/525383080.db2.gz KIKLKTWLDYVNHU-QGZVFWFLSA-N 1 1 402.922 3.564 40 0 HHABMO CCC[N@H+]1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)CC3)C1 ZINC000019741243 558261826 /nfs/dbraw/zinc/26/18/26/558261826.db2.gz JSJMTGSQJPGDHB-LJQANCHMSA-N 1 1 408.546 3.862 40 0 HHABMO CC(C)n1cc(C[N@@H+]2CCO[C@@H](C(=O)N(C)CCc3ccccn3)C2)c2ccccc21 ZINC000019747362 558266979 /nfs/dbraw/zinc/26/69/79/558266979.db2.gz AVLMRNOKKSCMQT-XMMPIXPASA-N 1 1 420.557 3.519 40 0 HHABMO CC(C)n1cc(C[N@H+]2CCO[C@@H](C(=O)N(C)CCc3ccccn3)C2)c2ccccc21 ZINC000019747362 558266981 /nfs/dbraw/zinc/26/69/81/558266981.db2.gz AVLMRNOKKSCMQT-XMMPIXPASA-N 1 1 420.557 3.519 40 0 HHABMO Cc1nc([C@H]2CC[N@H+](C3CCOCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753170 558272251 /nfs/dbraw/zinc/27/22/51/558272251.db2.gz ZLNNJQQCWMSVBA-HNNXBMFYSA-N 1 1 400.910 3.659 40 0 HHABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752950 558272268 /nfs/dbraw/zinc/27/22/68/558272268.db2.gz PMEXHYAPJQXGLY-OAQYLSRUSA-N 1 1 414.557 3.907 40 0 HHABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752968 558272317 /nfs/dbraw/zinc/27/23/17/558272317.db2.gz ZDMSGLDFWLLECL-FQEVSTJZSA-N 1 1 414.557 3.907 40 0 HHABMO C[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)[C@@H]1C ZINC000012182850 558343588 /nfs/dbraw/zinc/34/35/88/558343588.db2.gz LHZUQDZNUSSQCI-VVWQDTPRSA-N 1 1 402.539 3.507 40 0 HHABMO COc1cc([C@@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@@H]2C)OCO4)cc(OC)c1O ZINC000031861710 558753155 /nfs/dbraw/zinc/75/31/55/558753155.db2.gz MPDXBMJHDYBXLL-ZGWOSQSPSA-N 1 1 413.470 3.720 40 0 HHABMO CC(=O)Nc1ccc([C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@]23CCCC(=O)N3)cc1 ZINC000019022627 558838045 /nfs/dbraw/zinc/83/80/45/558838045.db2.gz RFGLBYRUKWXMAR-WMZHIEFXSA-N 1 1 413.468 3.562 40 0 HHABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(c1ccccc1)c1ccccc1 ZINC000047276270 558842012 /nfs/dbraw/zinc/84/20/12/558842012.db2.gz GAVDYDYUVFTMTH-UHFFFAOYSA-N 1 1 400.522 3.967 40 0 HHABMO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3nnsc3-c3cc(C)no3)C1)OCO2 ZINC000019120749 558843021 /nfs/dbraw/zinc/84/30/21/558843021.db2.gz WKFWBNSHTQGKJI-ZDUSSCGKSA-N 1 1 414.487 3.618 40 0 HHABMO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3nnsc3-c3cc(C)no3)C1)OCO2 ZINC000019120749 558843022 /nfs/dbraw/zinc/84/30/22/558843022.db2.gz WKFWBNSHTQGKJI-ZDUSSCGKSA-N 1 1 414.487 3.618 40 0 HHABMO Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)on1 ZINC000019122218 558843572 /nfs/dbraw/zinc/84/35/72/558843572.db2.gz XBJVCRVYOSMYPP-GOSISDBHSA-N 1 1 404.518 3.815 40 0 HHABMO Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)C[N@@H+]3CCCC[C@@H]3C)cc2)on1 ZINC000019123874 558844183 /nfs/dbraw/zinc/84/41/83/558844183.db2.gz SYYSUKNHAGFQOR-KRWDZBQOSA-N 1 1 419.529 3.906 40 0 HHABMO Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C23CCCCC3)c(=O)n1C ZINC000019131553 558845542 /nfs/dbraw/zinc/84/55/42/558845542.db2.gz VMZYEXNXNJASOJ-GMAHTHKFSA-N 1 1 419.569 3.601 40 0 HHABMO Cc1cccc(C[N@@H+]2CCCN(C(=O)c3n[nH]c4c3C[C@@H](C(C)(C)C)CC4)CC2)n1 ZINC000019236276 558855398 /nfs/dbraw/zinc/85/53/98/558855398.db2.gz GLLJRJIUBCRVQZ-SFHVURJKSA-N 1 1 409.578 3.612 40 0 HHABMO Cc1cccc(C[N@H+]2CCCN(C(=O)c3n[nH]c4c3C[C@@H](C(C)(C)C)CC4)CC2)n1 ZINC000019236276 558855401 /nfs/dbraw/zinc/85/54/01/558855401.db2.gz GLLJRJIUBCRVQZ-SFHVURJKSA-N 1 1 409.578 3.612 40 0 HHABMO COc1ccc(OC)c(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000019285532 558859846 /nfs/dbraw/zinc/85/98/46/558859846.db2.gz VQWFZRJZHYUFRY-VQTJNVASSA-N 1 1 423.488 3.618 40 0 HHABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285501 558859886 /nfs/dbraw/zinc/85/98/86/558859886.db2.gz NZVIAALPZIALGV-RBUKOAKNSA-N 1 1 411.452 3.748 40 0 HHABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CC[C@H](c2nc(C(C)C)cc(C(F)(F)F)n2)C1 ZINC000019287664 558860954 /nfs/dbraw/zinc/86/09/54/558860954.db2.gz GHXXKJOUKYMICV-HIFRSBDPSA-N 1 1 409.456 3.776 40 0 HHABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000019290174 558862746 /nfs/dbraw/zinc/86/27/46/558862746.db2.gz WOWMNDKWOMSTID-IBGZPJMESA-N 1 1 420.536 3.996 40 0 HHABMO Fc1ccccc1-n1cccc1C[N@@H+](CCCN1CCOCC1)Cc1cccnc1 ZINC000019368468 558877518 /nfs/dbraw/zinc/87/75/18/558877518.db2.gz QJMTYJUJIVFGOK-UHFFFAOYSA-N 1 1 408.521 3.736 40 0 HHABMO Fc1ccccc1-n1cccc1CN(CCC[NH+]1CCOCC1)Cc1cccnc1 ZINC000019368468 558877522 /nfs/dbraw/zinc/87/75/22/558877522.db2.gz QJMTYJUJIVFGOK-UHFFFAOYSA-N 1 1 408.521 3.736 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000019400647 558883317 /nfs/dbraw/zinc/88/33/17/558883317.db2.gz DAAOFDQYLIZYNN-AUSIDOKSSA-N 1 1 404.489 3.999 40 0 HHABMO CCN1CC[N@@H+](Cc2ccccn2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527400 558908521 /nfs/dbraw/zinc/90/85/21/558908521.db2.gz VRIVPEXPINBKHM-HSZRJFAPSA-N 1 1 400.526 3.667 40 0 HHABMO CCOc1cc(C[N@H+]2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)ccc1OC ZINC000019532005 558912108 /nfs/dbraw/zinc/91/21/08/558912108.db2.gz CGZLSGUBCUINND-LJQANCHMSA-N 1 1 420.513 3.619 40 0 HHABMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1OC ZINC000019561034 558921918 /nfs/dbraw/zinc/92/19/18/558921918.db2.gz BAAAUMJTOXQSSL-LJQANCHMSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1OC ZINC000019561034 558921921 /nfs/dbraw/zinc/92/19/21/558921921.db2.gz BAAAUMJTOXQSSL-LJQANCHMSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1OC ZINC000019561028 558922005 /nfs/dbraw/zinc/92/20/05/558922005.db2.gz PBTIEZRENFXAJL-LJQANCHMSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1OC ZINC000019561028 558922008 /nfs/dbraw/zinc/92/20/08/558922008.db2.gz PBTIEZRENFXAJL-LJQANCHMSA-N 1 1 406.486 3.989 40 0 HHABMO COc1cccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)no2)c1 ZINC000019565619 558925540 /nfs/dbraw/zinc/92/55/40/558925540.db2.gz BSAWCETZVIQJCR-FQEVSTJZSA-N 1 1 405.498 3.993 40 0 HHABMO COc1cccc2ccc(C[N@H+]3CCC[C@H](c4cc(C(=O)N5CCCC5)on4)C3)nc21 ZINC000019568441 558927521 /nfs/dbraw/zinc/92/75/21/558927521.db2.gz BXNYRZSDIXHIRZ-SFHVURJKSA-N 1 1 420.513 3.847 40 0 HHABMO COc1cccc2ccc(C[N@H+]3CCC[C@@H](c4cc(C(=O)N5CCCC5)on4)C3)nc21 ZINC000019568438 558927591 /nfs/dbraw/zinc/92/75/91/558927591.db2.gz BXNYRZSDIXHIRZ-GOSISDBHSA-N 1 1 420.513 3.847 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)cc1OC ZINC000072330558 558934887 /nfs/dbraw/zinc/93/48/87/558934887.db2.gz RTJVJMQQJWTSBM-RDPSFJRHSA-N 1 1 423.557 3.968 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019580493 558936054 /nfs/dbraw/zinc/93/60/54/558936054.db2.gz QBDPYBZOCHPPHP-RUZDIDTESA-N 1 1 400.526 3.667 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019580529 558936251 /nfs/dbraw/zinc/93/62/51/558936251.db2.gz AECUMXJMHBKLBP-RUZDIDTESA-N 1 1 400.526 3.667 40 0 HHABMO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019591327 558941696 /nfs/dbraw/zinc/94/16/96/558941696.db2.gz PSIMKAZXKCTVEU-VWLOTQADSA-N 1 1 400.526 3.715 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019591288 558941706 /nfs/dbraw/zinc/94/17/06/558941706.db2.gz AOGSVAIFCDTXKA-RUZDIDTESA-N 1 1 418.516 3.854 40 0 HHABMO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019591351 558941888 /nfs/dbraw/zinc/94/18/88/558941888.db2.gz GTOJRAKJQILRNP-VWLOTQADSA-N 1 1 400.526 3.715 40 0 HHABMO Cc1nc([C@H]2CCCC[N@H+]2C2CCOCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345452 558941909 /nfs/dbraw/zinc/94/19/09/558941909.db2.gz XNYZRYLYWVPHDA-OAQYLSRUSA-N 1 1 412.509 3.560 40 0 HHABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2nc(N)ncc2-c2ccc(OC)cc2)C1 ZINC000072346226 558943078 /nfs/dbraw/zinc/94/30/78/558943078.db2.gz BJMGYICUKMKQMB-KRWDZBQOSA-N 1 1 404.518 3.551 40 0 HHABMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)c1cnc2sccn2c1=O ZINC000019656416 558949398 /nfs/dbraw/zinc/94/93/98/558949398.db2.gz DQFNIUNHJZQQCQ-UHFFFAOYSA-N 1 1 402.479 3.524 40 0 HHABMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)c1cnc2sccn2c1=O ZINC000019656416 558949403 /nfs/dbraw/zinc/94/94/03/558949403.db2.gz DQFNIUNHJZQQCQ-UHFFFAOYSA-N 1 1 402.479 3.524 40 0 HHABMO COc1ccc(OCC2CC[NH+]([C@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)cc1 ZINC000019656905 558949726 /nfs/dbraw/zinc/94/97/26/558949726.db2.gz LLQUMIBDRQDBIC-OAHLLOKOSA-N 1 1 403.548 3.887 40 0 HHABMO O=C(C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)Nc1nc2c(s1)CCCC2 ZINC000019657928 558950060 /nfs/dbraw/zinc/95/00/60/558950060.db2.gz VHAYURDBCHMJTR-HNNXBMFYSA-N 1 1 409.559 3.791 40 0 HHABMO O=C(C[N@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)Nc1nc2c(s1)CCCC2 ZINC000019657928 558950062 /nfs/dbraw/zinc/95/00/62/558950062.db2.gz VHAYURDBCHMJTR-HNNXBMFYSA-N 1 1 409.559 3.791 40 0 HHABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000072354657 558951816 /nfs/dbraw/zinc/95/18/16/558951816.db2.gz XWTZEPTVUVKBRM-LJQANCHMSA-N 1 1 407.905 3.815 40 0 HHABMO O=C(C[N@@H+]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)N1CCCCC1 ZINC000072369955 558956181 /nfs/dbraw/zinc/95/61/81/558956181.db2.gz ZVYZARDEUFAOLW-OAHLLOKOSA-N 1 1 408.424 3.557 40 0 HHABMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000019687456 558957297 /nfs/dbraw/zinc/95/72/97/558957297.db2.gz BTCHYFAMDGPBDK-OAQYLSRUSA-N 1 1 418.545 3.858 40 0 HHABMO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@H+]3Cc3cnc(C)s3)c2)cn1 ZINC000019690814 558960244 /nfs/dbraw/zinc/96/02/44/558960244.db2.gz WUFBDKYFPUBBNB-OAQYLSRUSA-N 1 1 407.543 3.914 40 0 HHABMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Nc2ncccn2)n1)N1CCCc2ccccc21 ZINC000072375150 558963640 /nfs/dbraw/zinc/96/36/40/558963640.db2.gz DLWIQHWJJIDNHU-NRFANRHFSA-N 1 1 414.513 3.732 40 0 HHABMO O=C(C[N@H+]1CCC[C@H]1c1cccc(Nc2ncccn2)n1)N1CCCc2ccccc21 ZINC000072375150 558963642 /nfs/dbraw/zinc/96/36/42/558963642.db2.gz DLWIQHWJJIDNHU-NRFANRHFSA-N 1 1 414.513 3.732 40 0 HHABMO COc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[C@@](O)(c5ccc(C)cn5)[C@@H]4C3)cn2)cc1 ZINC000072392568 558972114 /nfs/dbraw/zinc/97/21/14/558972114.db2.gz XOQVJCGJNVPMHI-HOKHCIIBSA-N 1 1 416.525 3.585 40 0 HHABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000072398632 558976193 /nfs/dbraw/zinc/97/61/93/558976193.db2.gz AUUQDGNDGZBZLJ-RDPSFJRHSA-N 1 1 416.525 3.869 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000072398630 558976346 /nfs/dbraw/zinc/97/63/46/558976346.db2.gz DAAOFDQYLIZYNN-XXBNENTESA-N 1 1 404.489 3.999 40 0 HHABMO CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000072399115 558976457 /nfs/dbraw/zinc/97/64/57/558976457.db2.gz HDBGDLYGPLDCSN-GOSISDBHSA-N 1 1 400.548 3.656 40 0 HHABMO CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000072399115 558976459 /nfs/dbraw/zinc/97/64/59/558976459.db2.gz HDBGDLYGPLDCSN-GOSISDBHSA-N 1 1 400.548 3.656 40 0 HHABMO Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C23CCCCC3)c(=O)n1C ZINC000257318217 559011484 /nfs/dbraw/zinc/01/14/84/559011484.db2.gz VMZYEXNXNJASOJ-JTHBVZDNSA-N 1 1 419.569 3.601 40 0 HHABMO Cc1nc(C)c(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)s1 ZINC000585099820 559024557 /nfs/dbraw/zinc/02/45/57/559024557.db2.gz CWGVABKPIOYAMF-OAQYLSRUSA-N 1 1 402.564 3.912 40 0 HHABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@H](C)C4)C3)CC2)cc1 ZINC000585104525 559027048 /nfs/dbraw/zinc/02/70/48/559027048.db2.gz PSKWJCJRVSLXHZ-UNMCSNQZSA-N 1 1 400.563 3.503 40 0 HHABMO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+](C)Cc4cccnc4)C3)CC2)cc1F ZINC000585104878 559027545 /nfs/dbraw/zinc/02/75/45/559027545.db2.gz VCWANOFBVQZJIV-OAQYLSRUSA-N 1 1 411.521 3.672 40 0 HHABMO COc1ccc(F)c(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4cc(C)on4)[C@H]3C2)c1 ZINC000585109778 559029418 /nfs/dbraw/zinc/02/94/18/559029418.db2.gz STAMOXFLSVUUMC-SXWKCWPCSA-N 1 1 421.472 3.831 40 0 HHABMO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@@H+]2C2CCN(Cc3ccccc3)CC2)C1 ZINC000096080522 559094974 /nfs/dbraw/zinc/09/49/74/559094974.db2.gz PJEDUDSGQOSVRV-URXFXBBRSA-N 1 1 423.988 3.690 40 0 HHABMO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2CN(C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC000096080522 559094976 /nfs/dbraw/zinc/09/49/76/559094976.db2.gz PJEDUDSGQOSVRV-URXFXBBRSA-N 1 1 423.988 3.690 40 0 HHABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCc3ccccc3)CC2)c1 ZINC000585274083 559118836 /nfs/dbraw/zinc/11/88/36/559118836.db2.gz QWJCKEJDKGXCOY-HSZRJFAPSA-N 1 1 416.949 3.561 40 0 HHABMO Cc1cc(OC[C@@]2(O)COCC[N@@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)C2)ccc1F ZINC000585287334 559121979 /nfs/dbraw/zinc/12/19/79/559121979.db2.gz MSFKBYQEZUCRIS-IEXUWNMDSA-N 1 1 423.569 3.544 40 0 HHABMO COC(=O)c1cccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC000098063908 559126396 /nfs/dbraw/zinc/12/63/96/559126396.db2.gz NAMYNPZIGRLNHM-YVNJGZBMSA-N 1 1 409.530 3.900 40 0 HHABMO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107798280 559166020 /nfs/dbraw/zinc/16/60/20/559166020.db2.gz PJEDUDSGQOSVRV-ZJSXRUAMSA-N 1 1 423.988 3.690 40 0 HHABMO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2CN(C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107798280 559166023 /nfs/dbraw/zinc/16/60/23/559166023.db2.gz PJEDUDSGQOSVRV-ZJSXRUAMSA-N 1 1 423.988 3.690 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCCCCC1 ZINC000000909482 560545985 /nfs/dbraw/zinc/54/59/85/560545985.db2.gz WLGKPZZCCCBTMX-FQEVSTJZSA-N 1 1 408.550 3.934 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[NH+]1CCCCCC1 ZINC000000911377 560546310 /nfs/dbraw/zinc/54/63/10/560546310.db2.gz BSPCMRMSPBBRQS-FQEVSTJZSA-N 1 1 424.549 3.634 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000005444253 560737710 /nfs/dbraw/zinc/73/77/10/560737710.db2.gz OBLZWGAQPNKKDH-FOIQADDNSA-N 1 1 408.550 3.789 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000005444253 560737711 /nfs/dbraw/zinc/73/77/11/560737711.db2.gz OBLZWGAQPNKKDH-FOIQADDNSA-N 1 1 408.550 3.789 40 0 HHABMO c1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020140943 560881416 /nfs/dbraw/zinc/88/14/16/560881416.db2.gz NIKUGIVXOLBYIT-RUZDIDTESA-N 1 1 424.552 3.629 40 0 HHABMO CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222600707 568520130 /nfs/dbraw/zinc/52/01/30/568520130.db2.gz VZXTWXCBYREUJJ-IBGZPJMESA-N 1 1 408.477 3.746 40 0 HHABMO COc1ccc(F)cc1S(=O)(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000223024773 568534723 /nfs/dbraw/zinc/53/47/23/568534723.db2.gz OJGXSDRPFHTGAF-UHFFFAOYSA-N 1 1 423.897 3.816 40 0 HHABMO Cc1cc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc(C)c1Cl ZINC000224563560 568585272 /nfs/dbraw/zinc/58/52/72/568585272.db2.gz HZPXCUPDDUQRAA-GOSISDBHSA-N 1 1 416.949 3.873 40 0 HHABMO CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224742034 568594696 /nfs/dbraw/zinc/59/46/96/568594696.db2.gz HUMYJMNPSKPZRF-NRFANRHFSA-N 1 1 402.922 3.646 40 0 HHABMO S=C(NCCC[NH+]1CCOCC1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225585504 568654526 /nfs/dbraw/zinc/65/45/26/568654526.db2.gz WBRSNJVLFAXCPV-UHFFFAOYSA-N 1 1 401.601 3.988 40 0 HHABMO CCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCC[C@H](C)C1 ZINC000225716108 568667372 /nfs/dbraw/zinc/66/73/72/568667372.db2.gz WXZZJTGPLZVFTF-CVDCTZTESA-N 1 1 404.551 3.712 40 0 HHABMO O=C1CCCN1c1cccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000225744133 568670413 /nfs/dbraw/zinc/67/04/13/568670413.db2.gz WMJDEYNDDRYTIW-UHFFFAOYSA-N 1 1 408.571 3.548 40 0 HHABMO c1cn2cc(C[C@@H]3COCC[N@@H+](Cc4ccccc4OC4CCCC4)C3)ncc2n1 ZINC000257207956 568778307 /nfs/dbraw/zinc/77/83/07/568778307.db2.gz BKBOKDKDTGILFO-IBGZPJMESA-N 1 1 406.530 3.742 40 0 HHABMO COc1ccc([C@H]2C[N@@H+](Cc3c(OC)cccc3OC)[C@@H]3CCOC[C@@H]32)c(OC)c1 ZINC000257232973 568785485 /nfs/dbraw/zinc/78/54/85/568785485.db2.gz GNDXBXVVCJZLBT-HMXCVIKNSA-N 1 1 413.514 3.726 40 0 HHABMO Cc1c(F)cccc1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257236321 568786584 /nfs/dbraw/zinc/78/65/84/568786584.db2.gz HBOXZYJTWCWXSW-UPVQGACJSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1c(F)cccc1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257236321 568786586 /nfs/dbraw/zinc/78/65/86/568786586.db2.gz HBOXZYJTWCWXSW-UPVQGACJSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)nc(C)c1CC(=O)NC(C)C ZINC000257244506 568788699 /nfs/dbraw/zinc/78/86/99/568788699.db2.gz ILQBPWPXGMPFBW-SFHVURJKSA-N 1 1 400.954 3.803 40 0 HHABMO Cc1nc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4cnc(C)cn4)CCO3)c2)sc1C ZINC000257253888 568791422 /nfs/dbraw/zinc/79/14/22/568791422.db2.gz KARKRHVOACNCTL-LJQANCHMSA-N 1 1 424.530 3.519 40 0 HHABMO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000257303601 568805382 /nfs/dbraw/zinc/80/53/82/568805382.db2.gz SHWZFZWBKZYVEX-RUZDIDTESA-N 1 1 406.574 3.694 40 0 HHABMO COc1cccc(C[N@H+]2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306123320 568886550 /nfs/dbraw/zinc/88/65/50/568886550.db2.gz AKBITFNHJSSZKG-DEOSSOPVSA-N 1 1 413.525 3.894 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306126385 568889043 /nfs/dbraw/zinc/88/90/43/568889043.db2.gz DUISSIXGEJATBU-NRFANRHFSA-N 1 1 415.545 3.937 40 0 HHABMO Cc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306128337 568891127 /nfs/dbraw/zinc/89/11/27/568891127.db2.gz GXOXYEBFXGKTGK-XMMPIXPASA-N 1 1 403.482 3.762 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccc(C)s4)C[C@H]32)cc1 ZINC000306130894 568893447 /nfs/dbraw/zinc/89/34/47/568893447.db2.gz JSFIJIDXVJLRLT-FCHUYYIVSA-N 1 1 407.539 3.948 40 0 HHABMO CCc1ccc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306131551 568893880 /nfs/dbraw/zinc/89/38/80/568893880.db2.gz KIKDHYZLOYQPGL-NRFANRHFSA-N 1 1 405.546 3.508 40 0 HHABMO COc1ccc(CC(=O)N2CCC[C@]3(C[N@H+](Cc4cccs4)CCO3)CC2)cc1 ZINC000306137440 568899409 /nfs/dbraw/zinc/89/94/09/568899409.db2.gz QWGZAVZOLIFYFM-HSZRJFAPSA-N 1 1 414.571 3.583 40 0 HHABMO COc1ccc(CC(=O)N2CCC[C@]3(C[N@@H+](Cc4cccs4)CCO3)CC2)cc1 ZINC000306137440 568899410 /nfs/dbraw/zinc/89/94/10/568899410.db2.gz QWGZAVZOLIFYFM-HSZRJFAPSA-N 1 1 414.571 3.583 40 0 HHABMO Cc1cccc(C(=O)N2CCN(C)[C@@H](c3[nH+]cn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306139357 568901114 /nfs/dbraw/zinc/90/11/14/568901114.db2.gz SVHIKVUJXHTONH-HSZRJFAPSA-N 1 1 411.509 3.834 40 0 HHABMO COc1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306144038 568905450 /nfs/dbraw/zinc/90/54/50/568905450.db2.gz YTZGROZNZXNVHI-YADHBBJMSA-N 1 1 405.473 3.717 40 0 HHABMO CC(C)c1nc(N[C@H](C)CO)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000328991049 568971496 /nfs/dbraw/zinc/97/14/96/568971496.db2.gz IRVFWNAGRNCHCL-CYBMUJFWSA-N 1 1 410.440 3.854 40 0 HHABMO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000019701979 569347324 /nfs/dbraw/zinc/34/73/24/569347324.db2.gz UDINNFVWQNPDBC-MRXNPFEDSA-N 1 1 413.518 3.801 40 0 HHABMO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2N(C)C)cc1 ZINC000019713843 569348459 /nfs/dbraw/zinc/34/84/59/569348459.db2.gz BCEXDEIJHVGICX-PKTZIBPZSA-N 1 1 422.573 3.702 40 0 HHABMO CC[NH+](CC)Cc1nc(C2(O)CCN(C(=O)Nc3ccc(OC)cc3)CC2)cs1 ZINC000225421309 291249855 /nfs/dbraw/zinc/24/98/55/291249855.db2.gz BASIUHLLXFRGNN-UHFFFAOYSA-N 1 1 418.563 3.509 40 0 biogenic,in-vitro HHABMO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2c[nH]c3ccccc23)n1 ZINC000035424990 291251506 /nfs/dbraw/zinc/25/15/06/291251506.db2.gz SVMGDQPYMVDZQV-FQEVSTJZSA-N 1 1 419.485 3.975 40 0 biogenic,in-vitro HHABMO Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)c2ccccc21 ZINC000096111820 291257732 /nfs/dbraw/zinc/25/77/32/291257732.db2.gz YAVYURNQPKLRDV-CVDCTZTESA-N 1 1 401.510 3.957 40 0 biogenic,in-vitro HHABMO Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)c2ccccc21 ZINC000096111820 291257735 /nfs/dbraw/zinc/25/77/35/291257735.db2.gz YAVYURNQPKLRDV-CVDCTZTESA-N 1 1 401.510 3.957 40 0 biogenic,in-vitro HHABMO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675904 291258921 /nfs/dbraw/zinc/25/89/21/291258921.db2.gz JKHCRMRHUSIMBJ-KRWDZBQOSA-N 1 1 421.848 3.840 40 0 biogenic,in-vitro HHABMO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](CCCc2ccccc2)C1)c1ccco1 ZINC000004236233 291259218 /nfs/dbraw/zinc/25/92/18/291259218.db2.gz YJSDCIYKDAAAGR-VQTJNVASSA-N 1 1 417.509 3.746 40 0 biogenic,in-vitro HHABMO COc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3ncccc3C)CC2)cc1 ZINC000012089619 132353932 /nfs/dbraw/zinc/35/39/32/132353932.db2.gz ORHQFMPWZLGNMP-RUZDIDTESA-N 1 1 421.516 3.942 40 0 HHABMO COc1ccc2c(c1)c(C[N@H+]1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)c(C)n2C ZINC000072392566 525601996 /nfs/dbraw/zinc/60/19/96/525601996.db2.gz SUOXPFUWCPNJHB-FKRCVWNDSA-N 1 1 405.542 3.928 40 0 HHABMO CC(C)Nc1[nH]nc2nc([C@H]3CCCN3C(=O)C[NH+]3CCCC3)cc(C(F)(F)F)c21 ZINC000019742362 558262666 /nfs/dbraw/zinc/26/26/66/558262666.db2.gz KLHCQUKOTBGNKF-OAHLLOKOSA-N 1 1 424.471 3.556 40 0 HHABMO Cc1cc2ncc(C[NH+](C)C)c([C@@H]3CCCN3C(=O)CCc3ccc(F)cc3)n2n1 ZINC000019743576 558264238 /nfs/dbraw/zinc/26/42/38/558264238.db2.gz QDJPXAYJPFXXRN-FQEVSTJZSA-N 1 1 409.509 3.535 40 0 HHABMO O=C(NCCCn1cccn1)c1ccc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)nc1 ZINC000019752771 558272060 /nfs/dbraw/zinc/27/20/60/558272060.db2.gz JGCUXDUDUCJWKQ-NRFANRHFSA-N 1 1 421.520 3.617 40 0 HHABMO CCOc1cc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccc(OC)cc4)C[C@@H]32)ccc1OC ZINC000012188417 558347377 /nfs/dbraw/zinc/34/73/77/558347377.db2.gz LMAGBDFFOQCPTR-IRLDBZIGSA-N 1 1 424.541 3.839 40 0 HHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000030944720 558746148 /nfs/dbraw/zinc/74/61/48/558746148.db2.gz SLTGUPYTFBPLMD-VMPITWQZSA-N 1 1 400.526 3.711 40 0 HHABMO CC(C)NC(=O)Cn1cc(CN2CCC([N@H+]3CCC[C@@H](C)C3)CC2)c2ccccc21 ZINC000036741490 558802312 /nfs/dbraw/zinc/80/23/12/558802312.db2.gz JXWNHFLGELANPH-HXUWFJFHSA-N 1 1 410.606 3.862 40 0 HHABMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cn(CC(=O)NCCOC)c2ccccc12 ZINC000036741528 558802320 /nfs/dbraw/zinc/80/23/20/558802320.db2.gz LTOWTZPNJVKTBO-HXUWFJFHSA-N 1 1 411.571 3.975 40 0 HHABMO Cc1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000036752902 558802973 /nfs/dbraw/zinc/80/29/73/558802973.db2.gz FBQPBSHKLNGLOW-QGZVFWFLSA-N 1 1 411.575 3.619 40 0 HHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc(CN4CCOCC4)c3)cc2)C1 ZINC000038831725 558816817 /nfs/dbraw/zinc/81/68/17/558816817.db2.gz RQLJPQRWOQMCAY-OAQYLSRUSA-N 1 1 421.585 3.681 40 0 HHABMO O=C([C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850734 558818804 /nfs/dbraw/zinc/81/88/04/558818804.db2.gz BYOHFUHOVJXHFQ-QFIPXVFZSA-N 1 1 411.977 3.896 40 0 HHABMO O=C(CC1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014901 558837040 /nfs/dbraw/zinc/83/70/40/558837040.db2.gz WGAMTHSNSZZPBX-GOSISDBHSA-N 1 1 412.578 3.769 40 0 HHABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000019133409 558845787 /nfs/dbraw/zinc/84/57/87/558845787.db2.gz FZRPREJZOLOCOH-QILLFSRXSA-N 1 1 409.456 3.795 40 0 HHABMO CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCC[N@@H+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC000019219464 558851298 /nfs/dbraw/zinc/85/12/98/558851298.db2.gz PTTRLEAFMGIMJA-RUZDIDTESA-N 1 1 424.516 3.983 40 0 HHABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000019290165 558862728 /nfs/dbraw/zinc/86/27/28/558862728.db2.gz NHTJKHYOUJLBSL-NRFANRHFSA-N 1 1 416.573 3.899 40 0 HHABMO FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC[C@H]3CCN3CCOCC3)n2)cc1 ZINC000019336967 558870436 /nfs/dbraw/zinc/87/04/36/558870436.db2.gz HVUSYOZBKLKNTM-SFHVURJKSA-N 1 1 424.467 3.832 40 0 HHABMO O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019370213 558878346 /nfs/dbraw/zinc/87/83/46/558878346.db2.gz KMBYROMYCPWRFP-QFIPXVFZSA-N 1 1 420.557 3.779 40 0 HHABMO FC(F)(F)[C@H]1C[C@@H]([C@@H]2CCC[N@@H+](CCCOc3ccccc3)C2)Nc2ncnn21 ZINC000019373505 558880523 /nfs/dbraw/zinc/88/05/23/558880523.db2.gz FPNAPBUBOKZYRK-BPQIPLTHSA-N 1 1 409.456 3.747 40 0 HHABMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 ZINC000019453210 558890810 /nfs/dbraw/zinc/89/08/10/558890810.db2.gz IHKVNTKNFMHYSH-HXUWFJFHSA-N 1 1 411.546 3.775 40 0 HHABMO CCc1[nH+]ccn1[C@@H](C)C(=O)N1CC[C@H](c2nc(C(C)C)cc(C(F)(F)F)n2)C1 ZINC000019523483 558904743 /nfs/dbraw/zinc/90/47/43/558904743.db2.gz VTIZASSUUBXPSE-KBPBESRZSA-N 1 1 409.456 3.955 40 0 HHABMO CCCn1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c2cc(OC)ccc21 ZINC000019526073 558907526 /nfs/dbraw/zinc/90/75/26/558907526.db2.gz WJBIHLGYLFWOHT-WPUZRXDDSA-N 1 1 422.573 3.913 40 0 HHABMO CCN1CC[N@@H+](Cc2cccc(C)n2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527759 558909040 /nfs/dbraw/zinc/90/90/40/558909040.db2.gz VTDZKDIGXHNOBD-QHCPKHFHSA-N 1 1 414.553 3.975 40 0 HHABMO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000019530043 558911233 /nfs/dbraw/zinc/91/12/33/558911233.db2.gz ORMQXLNTCVDJJK-CYFREDJKSA-N 1 1 412.530 3.874 40 0 HHABMO CCOCc1cc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OC ZINC000019531137 558911774 /nfs/dbraw/zinc/91/17/74/558911774.db2.gz KIEOIMZMHGENPL-GOSISDBHSA-N 1 1 409.534 3.545 40 0 HHABMO CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)ccc1OC ZINC000019531958 558912046 /nfs/dbraw/zinc/91/20/46/558912046.db2.gz RJCCUZDTZHGAEX-IXDOHACOSA-N 1 1 421.492 3.588 40 0 HHABMO COc1ccc(OC)c(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000019551545 558915632 /nfs/dbraw/zinc/91/56/32/558915632.db2.gz YVEMGSYFBZKYSB-HXUWFJFHSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000019551545 558915634 /nfs/dbraw/zinc/91/56/34/558915634.db2.gz YVEMGSYFBZKYSB-HXUWFJFHSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(CC(=O)N2C[C@@H]3CCCC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1OC ZINC000019560560 558921489 /nfs/dbraw/zinc/92/14/89/558921489.db2.gz TVMMBYGHFFFYAG-FCHUYYIVSA-N 1 1 408.542 3.759 40 0 HHABMO Cc1c2ccccc2oc1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C(C)C)C2 ZINC000019566139 558925961 /nfs/dbraw/zinc/92/59/61/558925961.db2.gz JWLJACTWYDNKSJ-IBGZPJMESA-N 1 1 420.513 3.981 40 0 HHABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019570256 558929101 /nfs/dbraw/zinc/92/91/01/558929101.db2.gz PTBDGPUDWKZEIR-LJQANCHMSA-N 1 1 418.545 3.855 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)[C@@H]1CCCO1 ZINC000072330576 558935196 /nfs/dbraw/zinc/93/51/96/558935196.db2.gz FCJWSRJSGDQLJE-AGHHOFFYSA-N 1 1 415.484 3.608 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019580532 558936261 /nfs/dbraw/zinc/93/62/61/558936261.db2.gz AECUMXJMHBKLBP-VWLOTQADSA-N 1 1 400.526 3.667 40 0 HHABMO COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000019581520 558937146 /nfs/dbraw/zinc/93/71/46/558937146.db2.gz SOYWDOWPVDQDAR-FGZHOGPDSA-N 1 1 424.932 3.849 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)c1OC ZINC000072337773 558937967 /nfs/dbraw/zinc/93/79/67/558937967.db2.gz NYOKLTCMXIMYEY-APWZRJJASA-N 1 1 415.559 3.640 40 0 HHABMO COc1cccc(-c2cccc(C[C@H]3C[N@@H+](Cc4ccncc4)CCN(C)C3=O)c2)c1 ZINC000019589530 558940377 /nfs/dbraw/zinc/94/03/77/558940377.db2.gz VRZJUFUYLDPRTC-DEOSSOPVSA-N 1 1 415.537 3.890 40 0 HHABMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1)N1CCCc2ccccc21 ZINC000072353014 558949727 /nfs/dbraw/zinc/94/97/27/558949727.db2.gz SSZRFDDFBAFHSO-JOCHJYFZSA-N 1 1 414.513 3.732 40 0 HHABMO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1)N1CCCc2ccccc21 ZINC000072353014 558949728 /nfs/dbraw/zinc/94/97/28/558949728.db2.gz SSZRFDDFBAFHSO-JOCHJYFZSA-N 1 1 414.513 3.732 40 0 HHABMO Cc1nc2cc(NC(=O)C[N@H+]3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)ccc2n1C ZINC000019658015 558950011 /nfs/dbraw/zinc/95/00/11/558950011.db2.gz KGGILXOIUZSRCA-KRWDZBQOSA-N 1 1 416.529 3.651 40 0 HHABMO COc1ccccc1C1=NO[C@@](C)(C(=O)Nc2ccccc2Cn2cc[nH+]c2C)C1 ZINC000019660963 558952122 /nfs/dbraw/zinc/95/21/22/558952122.db2.gz PJJIRZRNQAZOJZ-HSZRJFAPSA-N 1 1 404.470 3.770 40 0 HHABMO NC(=O)c1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCOCc3ccccc3)C2)c1 ZINC000072356459 558953334 /nfs/dbraw/zinc/95/33/34/558953334.db2.gz FSUKTRNXLUASOG-OAQYLSRUSA-N 1 1 404.514 3.572 40 0 HHABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cc(-c3cn[nH]c3)cc(C)n1)OCCO2 ZINC000019690832 558960376 /nfs/dbraw/zinc/96/03/76/558960376.db2.gz UZJZQXICWINEBK-HXUWFJFHSA-N 1 1 406.486 3.897 40 0 HHABMO O=C(CC[NH+]1CCCC1)N1CCC[C@@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1 ZINC000072374534 558962281 /nfs/dbraw/zinc/96/22/81/558962281.db2.gz SJVOHQWHISTWGS-OAQYLSRUSA-N 1 1 418.545 3.719 40 0 HHABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2cncn2CC)C1 ZINC000072394095 558973565 /nfs/dbraw/zinc/97/35/65/558973565.db2.gz BDPPFMLIPZQFBZ-XMMPIXPASA-N 1 1 422.529 3.946 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c1OC ZINC000072398558 558975935 /nfs/dbraw/zinc/97/59/35/558975935.db2.gz QUDIYISPMHIWQV-AVRDEDQJSA-N 1 1 409.530 3.578 40 0 HHABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 ZINC000585101966 559025109 /nfs/dbraw/zinc/02/51/09/559025109.db2.gz NIAVUCRAVNWWIU-XMMPIXPASA-N 1 1 422.529 3.521 40 0 HHABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 ZINC000585101966 559025111 /nfs/dbraw/zinc/02/51/11/559025111.db2.gz NIAVUCRAVNWWIU-XMMPIXPASA-N 1 1 422.529 3.521 40 0 HHABMO CC(C)n1cc(C[N@H+]2CCC[C@]3(C[C@H](NC(=O)OCc4ccccc4)CO3)C2)cn1 ZINC000585102404 559026118 /nfs/dbraw/zinc/02/61/18/559026118.db2.gz HFWWMCABYRSAPF-GMAHTHKFSA-N 1 1 412.534 3.514 40 0 HHABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccc(C)o1)CCC2 ZINC000096056079 559093818 /nfs/dbraw/zinc/09/38/18/559093818.db2.gz LVEZXCKLGMKDIA-RDPSFJRHSA-N 1 1 411.546 3.569 40 0 HHABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1ccc(C)o1)CCC2 ZINC000096056079 559093820 /nfs/dbraw/zinc/09/38/20/559093820.db2.gz LVEZXCKLGMKDIA-RDPSFJRHSA-N 1 1 411.546 3.569 40 0 HHABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1ccc(C)o1)CCC2 ZINC000096056079 559093822 /nfs/dbraw/zinc/09/38/22/559093822.db2.gz LVEZXCKLGMKDIA-RDPSFJRHSA-N 1 1 411.546 3.569 40 0 HHABMO C[N@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)c3ccc(Cl)cc3)CC[C@@H]12 ZINC000096145273 559097257 /nfs/dbraw/zinc/09/72/57/559097257.db2.gz QRPYNSPLWMFGLP-NFBKMPQASA-N 1 1 411.933 3.905 40 0 HHABMO CCN1[C@H]2CC[N@H+](Cc3cccc(Cl)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145742 559097558 /nfs/dbraw/zinc/09/75/58/559097558.db2.gz WMOHDWABSKJGDU-OALUTQOASA-N 1 1 420.962 3.776 40 0 HHABMO CCN1[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145742 559097559 /nfs/dbraw/zinc/09/75/59/559097559.db2.gz WMOHDWABSKJGDU-OALUTQOASA-N 1 1 420.962 3.776 40 0 HHABMO O=S1(=O)c2ccccc2O[C@H]2CC[N@H+](CC3CC3)CC[C@@H]2N1Cc1ccccc1 ZINC000096145860 559097688 /nfs/dbraw/zinc/09/76/88/559097688.db2.gz XEYHBYWDCIWWAH-SFTDATJTSA-N 1 1 412.555 3.513 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[NH+]1CCCCCC1 ZINC000000911375 560546249 /nfs/dbraw/zinc/54/62/49/560546249.db2.gz BSPCMRMSPBBRQS-HXUWFJFHSA-N 1 1 424.549 3.634 40 0 HHABMO COc1ccc2cc(C[N@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000927494 560556979 /nfs/dbraw/zinc/55/69/79/560556979.db2.gz NFVZMZJAYLDJDG-UHFFFAOYSA-N 1 1 424.549 3.613 40 0 HHABMO COc1ccc2cc(C[N@@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000927494 560556981 /nfs/dbraw/zinc/55/69/81/560556981.db2.gz NFVZMZJAYLDJDG-UHFFFAOYSA-N 1 1 424.549 3.613 40 0 HHABMO COC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000001358863 560578249 /nfs/dbraw/zinc/57/82/49/560578249.db2.gz LNPDBFBUCCGGOO-UHFFFAOYSA-N 1 1 409.511 3.901 40 0 HHABMO CC[NH+]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3OC)o2)CC1 ZINC000224937351 568604797 /nfs/dbraw/zinc/60/47/97/568604797.db2.gz PBQQRHZDDDUFOO-UHFFFAOYSA-N 1 1 421.497 3.804 40 0 HHABMO O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000225695906 568665330 /nfs/dbraw/zinc/66/53/30/568665330.db2.gz ZTJABCVKLRSNRQ-OAQYLSRUSA-N 1 1 410.533 3.902 40 0 HHABMO COc1cccc(OC)c1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000225903815 568684836 /nfs/dbraw/zinc/68/48/36/568684836.db2.gz PWJNIKHYOYMALU-KRWDZBQOSA-N 1 1 402.922 3.886 40 0 HHABMO O=C(c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1)N1CCCCC1 ZINC000257204128 568777378 /nfs/dbraw/zinc/77/73/78/568777378.db2.gz ATDHUBCHSHJSIP-LJQANCHMSA-N 1 1 403.530 3.964 40 0 HHABMO O=C(C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)NCc1ccccc1F ZINC000257205656 568777771 /nfs/dbraw/zinc/77/77/71/568777771.db2.gz BAALMCJJTJRBPI-UHFFFAOYSA-N 1 1 419.504 3.855 40 0 HHABMO COc1cc(C)c(C[N@H+]2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc1C ZINC000257227652 568784331 /nfs/dbraw/zinc/78/43/31/568784331.db2.gz FQHDJBAURLRWLV-FQEVSTJZSA-N 1 1 424.589 3.775 40 0 HHABMO Cc1cnn(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)c1 ZINC000257239463 568787285 /nfs/dbraw/zinc/78/72/85/568787285.db2.gz HPIUHWBZZWDICA-ACUMWEPGSA-N 1 1 406.574 3.667 40 0 HHABMO CN1C(=O)C2(C[C@@H]1Cc1cccc(F)c1)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC000257258372 568792461 /nfs/dbraw/zinc/79/24/61/568792461.db2.gz KTOTWGLVMJUATB-FQEVSTJZSA-N 1 1 401.913 3.930 40 0 HHABMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1F ZINC000257280428 568798501 /nfs/dbraw/zinc/79/85/01/568798501.db2.gz OKUOPJVNSATUFE-VWNXMTODSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1F ZINC000257280428 568798504 /nfs/dbraw/zinc/79/85/04/568798504.db2.gz OKUOPJVNSATUFE-VWNXMTODSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1F ZINC000257280425 568798584 /nfs/dbraw/zinc/79/85/84/568798584.db2.gz OKUOPJVNSATUFE-ISKFKSNPSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1F ZINC000257280425 568798587 /nfs/dbraw/zinc/79/85/87/568798587.db2.gz OKUOPJVNSATUFE-ISKFKSNPSA-N 1 1 412.505 3.913 40 0 HHABMO CNC(=O)c1sc2nc([C@@H]3CCC[N@@H+]3Cc3cc(F)ccc3F)ccc2c1N ZINC000257281319 568798898 /nfs/dbraw/zinc/79/88/98/568798898.db2.gz OOPQDBYZZGKDLN-INIZCTEOSA-N 1 1 402.470 3.853 40 0 HHABMO CNC(=O)c1sc2nc([C@@H]3CCC[N@H+]3Cc3cc(F)ccc3F)ccc2c1N ZINC000257281319 568798899 /nfs/dbraw/zinc/79/88/99/568798899.db2.gz OOPQDBYZZGKDLN-INIZCTEOSA-N 1 1 402.470 3.853 40 0 HHABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@](C(N)=O)(c2ccccn2)C1 ZINC000257297743 568803806 /nfs/dbraw/zinc/80/38/06/568803806.db2.gz RIQPGTGNLIDQGF-RUZDIDTESA-N 1 1 401.510 3.776 40 0 HHABMO Cc1cccc(Nc2cncc(C3CCN(C(=O)CC[N@@H+]4CCCC[C@@H]4C)CC3)n2)n1 ZINC000257313978 568808382 /nfs/dbraw/zinc/80/83/82/568808382.db2.gz UUXQBDQXNGLSJI-IBGZPJMESA-N 1 1 422.577 3.894 40 0 HHABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257318458 568809789 /nfs/dbraw/zinc/80/97/89/568809789.db2.gz VOAQNJKSPWEANG-HSZRJFAPSA-N 1 1 407.558 3.688 40 0 HHABMO CC[N@H+]1CCC[C@H]1CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257318459 568809869 /nfs/dbraw/zinc/80/98/69/568809869.db2.gz VOAQNJKSPWEANG-QHCPKHFHSA-N 1 1 407.558 3.688 40 0 HHABMO COCCN1CC=CC[C@]2(CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)C1=O ZINC000257324998 568811792 /nfs/dbraw/zinc/81/17/92/568811792.db2.gz WRAMUZBZUMKKBB-XMMPIXPASA-N 1 1 410.562 3.634 40 0 HHABMO COCCN1CC=CC[C@]2(CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)C1=O ZINC000257324998 568811795 /nfs/dbraw/zinc/81/17/95/568811795.db2.gz WRAMUZBZUMKKBB-XMMPIXPASA-N 1 1 410.562 3.634 40 0 HHABMO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@@H+](CC3CC3)C2)ccc1Cl ZINC000257329321 568812866 /nfs/dbraw/zinc/81/28/66/568812866.db2.gz XJKCSAMEMAFZLB-HSZRJFAPSA-N 1 1 420.981 3.768 40 0 HHABMO COc1ccc(C[NH+]2CCN(c3nccn4c(-c5ccsc5)cnc34)CC2)cc1 ZINC000306125575 568888381 /nfs/dbraw/zinc/88/83/81/568888381.db2.gz CUIDKDJYCGNBFK-UHFFFAOYSA-N 1 1 405.527 3.789 40 0 HHABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306126134 568888908 /nfs/dbraw/zinc/88/89/08/568888908.db2.gz DOANAYSLPFOABI-QPPBQGQZSA-N 1 1 410.537 3.831 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4sccc4C)C[C@H]32)cc1 ZINC000306126311 568889139 /nfs/dbraw/zinc/88/91/39/568889139.db2.gz DSHYZWBZAJXILH-LEWJYISDSA-N 1 1 407.539 3.948 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4sccc4C)C[C@@H]32)cc1 ZINC000306126314 568889182 /nfs/dbraw/zinc/88/91/82/568889182.db2.gz DSHYZWBZAJXILH-SFTDATJTSA-N 1 1 407.539 3.948 40 0 HHABMO COCCN1CC[C@]2(C[N@@H+](Cc3cc(C)cc(C)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130470 568892856 /nfs/dbraw/zinc/89/28/56/568892856.db2.gz JHJDGWCBPRRDAH-WIOPSUGQSA-N 1 1 424.589 3.545 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@@H]32)cs1 ZINC000306132816 568895167 /nfs/dbraw/zinc/89/51/67/568895167.db2.gz LTAAAYYJQPUQLB-UXHICEINSA-N 1 1 412.946 3.988 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@@H]32)cs1 ZINC000306132816 568895168 /nfs/dbraw/zinc/89/51/68/568895168.db2.gz LTAAAYYJQPUQLB-UXHICEINSA-N 1 1 412.946 3.988 40 0 HHABMO Cc1ccc(C[N@@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)s1 ZINC000306134771 568896763 /nfs/dbraw/zinc/89/67/63/568896763.db2.gz NXTRKLYOYOUWNP-OAQYLSRUSA-N 1 1 404.543 3.650 40 0 HHABMO COc1ccccc1C[N@H+]1C[C@@H]2[C@@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306144036 568905370 /nfs/dbraw/zinc/90/53/70/568905370.db2.gz YTZGROZNZXNVHI-FGZHOGPDSA-N 1 1 405.473 3.717 40 0 HHABMO C[C@@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 ZINC000248104925 569316209 /nfs/dbraw/zinc/31/62/09/569316209.db2.gz FSGUBIJXAQJZLO-UYAOXDASSA-N 1 1 418.541 3.556 40 0 HHABMO COc1ncc([C@]2(O)CCC[C@@H]3C[N@@H+](Cc4ccc(C(C)C)cc4)C[C@H]32)c(OC)n1 ZINC000253608431 569318407 /nfs/dbraw/zinc/31/84/07/569318407.db2.gz NDYQBMVSSLLTOF-ZILOHOTNSA-N 1 1 411.546 3.737 40 0 HHABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000006953555 569335762 /nfs/dbraw/zinc/33/57/62/569335762.db2.gz CGJMGBNTCZDBSA-UHFFFAOYSA-N 1 1 417.962 3.671 40 0 HHABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)CC1 ZINC000006953590 569335792 /nfs/dbraw/zinc/33/57/92/569335792.db2.gz AOSRSIQHBXDWHC-UHFFFAOYSA-N 1 1 417.962 3.671 40 0 HHABMO CC[C@@H](C)C[N@H+]1CCC[C@@H](C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)C1 ZINC000019499910 569345708 /nfs/dbraw/zinc/34/57/08/569345708.db2.gz ASAWMYHRLAUDGZ-TZIWHRDSSA-N 1 1 400.563 3.715 40 0 HHABMO O=C(c1sc2ncccc2c1[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000019702035 569347355 /nfs/dbraw/zinc/34/73/55/569347355.db2.gz KHFFRJUUVAWDFB-LJQANCHMSA-N 1 1 421.566 3.801 40 0 HHABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](c3c4cccnc4sc3C(N)=O)C1)CO2 ZINC000019702232 569347417 /nfs/dbraw/zinc/34/74/17/569347417.db2.gz BNUWAXJKFRHULB-OAHLLOKOSA-N 1 1 421.522 3.669 40 0 HHABMO CC(=O)N1CCC[C@@H]1c1nc(C[N@@H+](C)C/C(C)=C/c2ccccc2)cc(N(C)C)n1 ZINC000019709820 569348199 /nfs/dbraw/zinc/34/81/99/569348199.db2.gz PPYVVCCNIUSNBB-OVWUPXBPSA-N 1 1 407.562 3.761 40 0 HHABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252514951 569387906 /nfs/dbraw/zinc/38/79/06/569387906.db2.gz FKLTWXJGNBZJDA-KSZLIROESA-N 1 1 400.327 3.667 40 0 HHABMO CC1=C[C@@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000030880852 291248702 /nfs/dbraw/zinc/24/87/02/291248702.db2.gz XIPBNDPMMNUVEJ-VABKMULXSA-N 1 1 417.638 3.702 40 0 biogenic,in-vitro HHABMO CC[NH+](CC)Cc1nc(C2(O)CCN(C(=O)Nc3ccc(F)cc3)CC2)cs1 ZINC000225463658 291249614 /nfs/dbraw/zinc/24/96/14/291249614.db2.gz RGIAPJLHANJUSC-UHFFFAOYSA-N 1 1 406.527 3.640 40 0 biogenic,in-vitro HHABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3c[nH]c4ccccc34)n2)cn1 ZINC000035425417 291251494 /nfs/dbraw/zinc/25/14/94/291251494.db2.gz YJVCBHCNSAVVIJ-FQEVSTJZSA-N 1 1 419.485 3.975 40 0 biogenic,in-vitro HHABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccc(OC)c3)n2)ccn1 ZINC000035424792 291251551 /nfs/dbraw/zinc/25/15/51/291251551.db2.gz KUVPZENKYGKLNR-IBGZPJMESA-N 1 1 410.474 3.503 40 0 biogenic,in-vitro HHABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccc(OC)c3)n2)ccn1 ZINC000035424792 291251554 /nfs/dbraw/zinc/25/15/54/291251554.db2.gz KUVPZENKYGKLNR-IBGZPJMESA-N 1 1 410.474 3.503 40 0 biogenic,in-vitro HHABMO COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1OC ZINC000044848169 525107845 /nfs/dbraw/zinc/10/78/45/525107845.db2.gz MDPUAGSQXFFELP-HNNXBMFYSA-N 1 1 411.527 3.995 40 0 HHABMO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)[nH+]1 ZINC000072372659 525307549 /nfs/dbraw/zinc/30/75/49/525307549.db2.gz LETRRUAJGJGGOH-HXUWFJFHSA-N 1 1 407.449 3.805 40 0 HHABMO Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)nc(C)[nH+]1 ZINC000019749165 558268347 /nfs/dbraw/zinc/26/83/47/558268347.db2.gz XBEKUNLEELBFJC-OAHLLOKOSA-N 1 1 407.440 3.605 40 0 HHABMO COCCCNc1nc(-c2ccncc2)nc2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000012233206 558358241 /nfs/dbraw/zinc/35/82/41/558358241.db2.gz XNLDWIBOZNBRSJ-UHFFFAOYSA-N 1 1 419.529 3.554 40 0 HHABMO COCCCNc1nc(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000012233206 558358243 /nfs/dbraw/zinc/35/82/43/558358243.db2.gz XNLDWIBOZNBRSJ-UHFFFAOYSA-N 1 1 419.529 3.554 40 0 HHABMO COc1ccccc1N1CCN(C(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000020494077 558379438 /nfs/dbraw/zinc/37/94/38/558379438.db2.gz ZQZBESPFWFKIIH-HXUWFJFHSA-N 1 1 407.558 3.890 40 0 HHABMO O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014803 558836786 /nfs/dbraw/zinc/83/67/86/558836786.db2.gz WAHJMYBYWFGFNG-OAQYLSRUSA-N 1 1 412.578 3.562 40 0 HHABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@@H+](Cc3ccsc3)C1)O2 ZINC000019019606 558837615 /nfs/dbraw/zinc/83/76/15/558837615.db2.gz UDXSLKIBBDLZKJ-PGRDOPGGSA-N 1 1 400.544 3.778 40 0 HHABMO Cc1cc(C)n(-c2cccc(C[N@H+]3C[C@@H](c4cccnc4)[C@]4(C3)CCCC(=O)N4)c2)n1 ZINC000019116431 558841856 /nfs/dbraw/zinc/84/18/56/558841856.db2.gz OCKUEFSBZRTFMM-UKILVPOCSA-N 1 1 415.541 3.522 40 0 HHABMO Cc1ccccc1OC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccn3)C2)C1 ZINC000019237334 558856411 /nfs/dbraw/zinc/85/64/11/558856411.db2.gz KVWQKKCKLKMUGY-XZOQPEGZSA-N 1 1 421.585 3.962 40 0 HHABMO COc1cccc(C(=O)N2CCCC[C@H]3C[N@@H+](Cc4ccncc4C)C[C@H]32)c1OC ZINC000019239535 558858169 /nfs/dbraw/zinc/85/81/69/558858169.db2.gz PCRMLWXPUPSIKB-PZJWPPBQSA-N 1 1 409.530 3.534 40 0 HHABMO NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000019348346 558874122 /nfs/dbraw/zinc/87/41/22/558874122.db2.gz XGVUPVARFJGLOY-DEOSSOPVSA-N 1 1 404.489 3.593 40 0 HHABMO Fc1ccccc1OCCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019368115 558877034 /nfs/dbraw/zinc/87/70/34/558877034.db2.gz FCGYDNVOBCSPHS-BHYGNILZSA-N 1 1 409.456 3.589 40 0 HHABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019370387 558878536 /nfs/dbraw/zinc/87/85/36/558878536.db2.gz VWTYPWDKTDFTLR-WIOPSUGQSA-N 1 1 400.526 3.789 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)[C@@H]1CCCO1 ZINC000019400694 558883302 /nfs/dbraw/zinc/88/33/02/558883302.db2.gz FCJWSRJSGDQLJE-RBDMOPTHSA-N 1 1 415.484 3.608 40 0 HHABMO CCC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2OC)C1 ZINC000019499247 558897528 /nfs/dbraw/zinc/89/75/28/558897528.db2.gz KHKJKRFPQFOTBI-YWZLYKJASA-N 1 1 403.548 3.640 40 0 HHABMO CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCC(C)CC1)CC2 ZINC000019499868 558898017 /nfs/dbraw/zinc/89/80/17/558898017.db2.gz IISGUXOPNHOGQP-VPWFFCTISA-N 1 1 400.567 3.829 40 0 HHABMO CCc1ncc(C[N@H+]2CC[C@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)cn1 ZINC000019523311 558904382 /nfs/dbraw/zinc/90/43/82/558904382.db2.gz ZUZMBIBPYHHQTR-RUZDIDTESA-N 1 1 400.526 3.626 40 0 HHABMO CCn1c(C[N@H+]2C[C@@H](c3cccc(OC)c3)[C@]3(C2)CCCC(=O)N3)nc2ccccc21 ZINC000019524316 558905451 /nfs/dbraw/zinc/90/54/51/558905451.db2.gz VSWSTBMFAAJFSI-NBGIEHNGSA-N 1 1 418.541 3.703 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@H](c3cc4nc(C)cc(C(F)(F)F)c4c(=O)[nH]3)C2)cn1 ZINC000019524915 558906249 /nfs/dbraw/zinc/90/62/49/558906249.db2.gz VBICXSKGHXSTSK-HNNXBMFYSA-N 1 1 419.451 3.846 40 0 HHABMO COc1cc2c(cc1C[N@H+]1C[C@@H](c3ccccn3)[C@]3(C1)CCCCC(=O)N3)CCC2 ZINC000019550616 558915131 /nfs/dbraw/zinc/91/51/31/558915131.db2.gz MJOUHCWUPGMEKJ-SQJMNOBHSA-N 1 1 405.542 3.607 40 0 HHABMO COc1ccc(OC)c(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000019551547 558915670 /nfs/dbraw/zinc/91/56/70/558915670.db2.gz YVEMGSYFBZKYSB-FQEVSTJZSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(OC)c(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000019551547 558915672 /nfs/dbraw/zinc/91/56/72/558915672.db2.gz YVEMGSYFBZKYSB-FQEVSTJZSA-N 1 1 406.486 3.989 40 0 HHABMO CNc1ncc(C[N@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cn1 ZINC000019568949 558928031 /nfs/dbraw/zinc/92/80/31/558928031.db2.gz DUSPFKBOFVSVOR-CYBMUJFWSA-N 1 1 406.412 3.761 40 0 HHABMO CNc1ncc(C[N@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cn1 ZINC000019568952 558928132 /nfs/dbraw/zinc/92/81/32/558928132.db2.gz DUSPFKBOFVSVOR-ZDUSSCGKSA-N 1 1 406.412 3.761 40 0 HHABMO Cc1ncc(-c2ccncc2)c([C@@H]2CCC[N@H+](CC(=O)N3CCc4ccccc43)C2)n1 ZINC000072334716 558935803 /nfs/dbraw/zinc/93/58/03/558935803.db2.gz HYYCISZZUWYNCT-OAQYLSRUSA-N 1 1 413.525 3.616 40 0 HHABMO Cc1ncc(-c2ccncc2)c([C@@H]2CCC[N@@H+](CC(=O)N3CCc4ccccc43)C2)n1 ZINC000072334716 558935805 /nfs/dbraw/zinc/93/58/05/558935805.db2.gz HYYCISZZUWYNCT-OAQYLSRUSA-N 1 1 413.525 3.616 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)C[N@H+](Cc2ccccn2)CCO1 ZINC000019580897 558936402 /nfs/dbraw/zinc/93/64/02/558936402.db2.gz CFISDIFSRWHJPA-SANMLTNESA-N 1 1 415.537 3.651 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)C[N@@H+](Cc2ccccn2)CCO1 ZINC000019580897 558936405 /nfs/dbraw/zinc/93/64/05/558936405.db2.gz CFISDIFSRWHJPA-SANMLTNESA-N 1 1 415.537 3.651 40 0 HHABMO CCOc1ccccc1C[N@@H+]1CCc2c([nH]c3cc(-c4ccoc4C)nn3c2=O)C1 ZINC000072339369 558938677 /nfs/dbraw/zinc/93/86/77/558938677.db2.gz WSMJWBJAXALYGH-UHFFFAOYSA-N 1 1 404.470 3.960 40 0 HHABMO CCOc1ccccc1C[N@H+]1CCc2c([nH]c3cc(-c4ccoc4C)nn3c2=O)C1 ZINC000072339369 558938680 /nfs/dbraw/zinc/93/86/80/558938680.db2.gz WSMJWBJAXALYGH-UHFFFAOYSA-N 1 1 404.470 3.960 40 0 HHABMO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019591289 558941660 /nfs/dbraw/zinc/94/16/60/558941660.db2.gz AOGSVAIFCDTXKA-VWLOTQADSA-N 1 1 418.516 3.854 40 0 HHABMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347835 558945075 /nfs/dbraw/zinc/94/50/75/558945075.db2.gz AEZABRKWADYWMI-INMHGKMJSA-N 1 1 405.926 3.674 40 0 HHABMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347835 558945076 /nfs/dbraw/zinc/94/50/76/558945076.db2.gz AEZABRKWADYWMI-INMHGKMJSA-N 1 1 405.926 3.674 40 0 HHABMO COc1ccc2c(c1)C=C(C[N@H+]1CC=C(n3c(C)nc(=O)c4ccccc43)CC1)CO2 ZINC000072348319 558945265 /nfs/dbraw/zinc/94/52/65/558945265.db2.gz ZCSNEJZPBRQNEC-UHFFFAOYSA-N 1 1 415.493 3.736 40 0 HHABMO COc1ccc2c(c1)C=C(C[N@@H+]1CC=C(n3c(C)nc(=O)c4ccccc43)CC1)CO2 ZINC000072348319 558945267 /nfs/dbraw/zinc/94/52/67/558945267.db2.gz ZCSNEJZPBRQNEC-UHFFFAOYSA-N 1 1 415.493 3.736 40 0 HHABMO COc1ccccc1Cc1cccc([C@H]2CCC[N@H+](C3CCN(C(C)=O)CC3)C2)n1 ZINC000072350211 558947115 /nfs/dbraw/zinc/94/71/15/558947115.db2.gz QZZWCVBOSPBGRM-NRFANRHFSA-N 1 1 407.558 3.871 40 0 HHABMO O=C(c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2ccccn2)C1)N1CCOCC1 ZINC000072356025 558952751 /nfs/dbraw/zinc/95/27/51/558952751.db2.gz QYDYLWVZIIXXLQ-QGZVFWFLSA-N 1 1 407.539 3.758 40 0 HHABMO Cn1cc(C[N@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)cn1 ZINC000072371568 558958667 /nfs/dbraw/zinc/95/86/67/558958667.db2.gz AUJRKLGIPWTYEA-MRXNPFEDSA-N 1 1 419.451 3.773 40 0 HHABMO Cn1cc(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 ZINC000072371568 558958669 /nfs/dbraw/zinc/95/86/69/558958669.db2.gz AUJRKLGIPWTYEA-MRXNPFEDSA-N 1 1 419.451 3.773 40 0 HHABMO Cn1cc(C[N@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)cn1 ZINC000072371568 558958671 /nfs/dbraw/zinc/95/86/71/558958671.db2.gz AUJRKLGIPWTYEA-MRXNPFEDSA-N 1 1 419.451 3.773 40 0 HHABMO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)c1 ZINC000019689673 558959173 /nfs/dbraw/zinc/95/91/73/558959173.db2.gz YHOAWKREGYUTJJ-JOCHJYFZSA-N 1 1 415.541 3.954 40 0 HHABMO Cc1n[nH]c(C)c1NC(=O)C1(Cc2cccc([C@@H]3CCC[N@H+](C)C3)c2)CCOCC1 ZINC000072372221 558959432 /nfs/dbraw/zinc/95/94/32/558959432.db2.gz DPEORFFOLFOGAN-OAQYLSRUSA-N 1 1 410.562 3.814 40 0 HHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 ZINC000072374838 558962909 /nfs/dbraw/zinc/96/29/09/558962909.db2.gz RHTYYLUQKBQPHZ-LJQANCHMSA-N 1 1 410.566 3.588 40 0 HHABMO C[C@H](CC[N@H+]1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1)c1ccccc1 ZINC000019701040 558967278 /nfs/dbraw/zinc/96/72/78/558967278.db2.gz KDKZWCLRXSWIHZ-GOSISDBHSA-N 1 1 415.541 3.541 40 0 HHABMO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000019715546 558976454 /nfs/dbraw/zinc/97/64/54/558976454.db2.gz CZBUDOQXTYZVBX-GOSISDBHSA-N 1 1 408.550 3.786 40 0 HHABMO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000019715546 558976456 /nfs/dbraw/zinc/97/64/56/558976456.db2.gz CZBUDOQXTYZVBX-GOSISDBHSA-N 1 1 408.550 3.786 40 0 HHABMO CCn1cc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c(C)n1 ZINC000019715576 558976777 /nfs/dbraw/zinc/97/67/77/558976777.db2.gz GECHSPFUNFZZAD-SFHVURJKSA-N 1 1 408.550 3.960 40 0 HHABMO CCn1cc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c(C)n1 ZINC000019715576 558976779 /nfs/dbraw/zinc/97/67/79/558976779.db2.gz GECHSPFUNFZZAD-SFHVURJKSA-N 1 1 408.550 3.960 40 0 HHABMO C[NH+](C)[C@H](C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000019716707 558978868 /nfs/dbraw/zinc/97/88/68/558978868.db2.gz QABZJXUFLUCZDI-SFHVURJKSA-N 1 1 409.313 3.726 40 0 HHABMO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC000095630466 559087703 /nfs/dbraw/zinc/08/77/03/559087703.db2.gz MRECHDRIOBTOBZ-HNNXBMFYSA-N 1 1 419.513 3.620 40 0 HHABMO CCCN(CCOC)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2Cc1ccccc1 ZINC000096062595 559094241 /nfs/dbraw/zinc/09/42/41/559094241.db2.gz BHXUZUCYDZAVOI-ZCYQVOJMSA-N 1 1 408.542 3.572 40 0 HHABMO CCCN(CCOC)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2Cc1ccccc1 ZINC000096062595 559094243 /nfs/dbraw/zinc/09/42/43/559094243.db2.gz BHXUZUCYDZAVOI-ZCYQVOJMSA-N 1 1 408.542 3.572 40 0 HHABMO COc1cccc(-c2cccc3c([C@@H]4CN(c5ccc(C)nn5)CCO4)[nH+]cn32)c1 ZINC000096155874 559099944 /nfs/dbraw/zinc/09/99/44/559099944.db2.gz RLBAOQHIYPQUHG-NRFANRHFSA-N 1 1 401.470 3.686 40 0 HHABMO COc1cccc(CC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)c1 ZINC000096215651 559101912 /nfs/dbraw/zinc/10/19/12/559101912.db2.gz SUSOXKBMULWELJ-RUZDIDTESA-N 1 1 408.542 3.761 40 0 HHABMO CC(=O)N1CC[N@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@](O)(COc2ccccc2)C1 ZINC000585287302 559121048 /nfs/dbraw/zinc/12/10/48/559121048.db2.gz MIFZVESWBCLIAE-HFMPRLQTSA-N 1 1 402.579 3.566 40 0 HHABMO O[C@H]1CC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1ccc(F)c(F)c1 ZINC000585284962 559121499 /nfs/dbraw/zinc/12/14/99/559121499.db2.gz BDTHNKGNDGMJSQ-WJNSRDFLSA-N 1 1 417.496 3.868 40 0 HHABMO CC(=O)Nc1cccc([C@@H]2C[N@@H+](CCc3ccc(F)cc3)C[C@]23CCCCC(=O)N3)c1 ZINC000257313143 559282876 /nfs/dbraw/zinc/28/28/76/559282876.db2.gz URENXUOOLYKTEP-UKILVPOCSA-N 1 1 423.532 3.855 40 0 HHABMO CC(C)CCn1nnnc1[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020142004 560881594 /nfs/dbraw/zinc/88/15/94/560881594.db2.gz ZAZAQIQNLMTJAJ-QHCPKHFHSA-N 1 1 422.552 3.766 40 0 HHABMO Cc1cc(C)c(OC[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000022030571 560890793 /nfs/dbraw/zinc/89/07/93/560890793.db2.gz WATBMCYKLYEPJB-QFIPXVFZSA-N 1 1 402.966 3.823 40 0 HHABMO Cc1cc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc(C)c1Cl ZINC000224563509 568585394 /nfs/dbraw/zinc/58/53/94/568585394.db2.gz HZPXCUPDDUQRAA-SFHVURJKSA-N 1 1 416.949 3.873 40 0 HHABMO COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000224738389 568594268 /nfs/dbraw/zinc/59/42/68/568594268.db2.gz KUJAGMBEBJAQCF-UHFFFAOYSA-N 1 1 410.923 3.622 40 0 HHABMO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(OC)c(OCC)c3)[nH]2)cc1OCC ZINC000095534628 568635874 /nfs/dbraw/zinc/63/58/74/568635874.db2.gz QOBCPRLQXNYSAW-FQEVSTJZSA-N 1 1 412.490 3.725 40 0 HHABMO CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)s1 ZINC000225590660 568655191 /nfs/dbraw/zinc/65/51/91/568655191.db2.gz WFCIQWYLKCCBEH-UHFFFAOYSA-N 1 1 400.932 3.903 40 0 HHABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000225737887 568669743 /nfs/dbraw/zinc/66/97/43/568669743.db2.gz RXGKDIPSRIUYRP-GOSISDBHSA-N 1 1 402.608 3.721 40 0 HHABMO CN(C)C(=O)c1sc2nc([C@]3(C)CCC[N@@H+](Cc4cccnc4)C3)ccc2c1N ZINC000257234695 568786095 /nfs/dbraw/zinc/78/60/95/568786095.db2.gz GUSPZEZXXLHDFK-JOCHJYFZSA-N 1 1 409.559 3.529 40 0 HHABMO Cc1c(F)cccc1NC(=O)C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257236319 568786589 /nfs/dbraw/zinc/78/65/89/568786589.db2.gz HBOXZYJTWCWXSW-ISKFKSNPSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1c(F)cccc1NC(=O)C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257236319 568786590 /nfs/dbraw/zinc/78/65/90/568786590.db2.gz HBOXZYJTWCWXSW-ISKFKSNPSA-N 1 1 412.505 3.913 40 0 HHABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ncccc1O)[C@H]2Cc1ccccc1 ZINC000257251977 568790889 /nfs/dbraw/zinc/79/08/89/568790889.db2.gz JTCOIACRNOTZTN-ATMZJQGESA-N 1 1 405.542 3.876 40 0 HHABMO O=C1CO[C@@]2(CN1Cc1ccccc1)CCC[N@H+](Cc1cccc(F)c1F)CC2 ZINC000257293145 568802484 /nfs/dbraw/zinc/80/24/84/568802484.db2.gz QOIAYKAOJCSLQI-QHCPKHFHSA-N 1 1 400.469 3.749 40 0 HHABMO Cc1nc(CN2CC[C@]3(C[N@@H+](C4CCC4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306123804 568886795 /nfs/dbraw/zinc/88/67/95/568886795.db2.gz AXHTXKOQMZEGPT-SIKLNZKXSA-N 1 1 413.591 3.600 40 0 HHABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306126136 568888826 /nfs/dbraw/zinc/88/88/26/568888826.db2.gz DOANAYSLPFOABI-XUZZJYLKSA-N 1 1 410.537 3.831 40 0 HHABMO Fc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306129221 568891844 /nfs/dbraw/zinc/89/18/44/568891844.db2.gz HXUPPDKZTIXUNO-HSZRJFAPSA-N 1 1 407.445 3.593 40 0 HHABMO Cc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306130878 568893479 /nfs/dbraw/zinc/89/34/79/568893479.db2.gz JRTDMISHIWPRKC-XMMPIXPASA-N 1 1 403.482 3.762 40 0 HHABMO O=C1N(Cc2ccccc2)CCO[C@@]12C[N@@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306131326 568893593 /nfs/dbraw/zinc/89/35/93/568893593.db2.gz KCAHHJJLPOIXNZ-LADGPHEKSA-N 1 1 419.550 3.540 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccc(OC)cc4)C[C@@H]32)cc1 ZINC000306135215 568897211 /nfs/dbraw/zinc/89/72/11/568897211.db2.gz OLCAVNMLPFVOLQ-ZEQRLZLVSA-N 1 1 417.509 3.587 40 0 HHABMO CCc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)cc1 ZINC000306137665 568899661 /nfs/dbraw/zinc/89/96/61/568899661.db2.gz RCTCCDNDTHMQGQ-FCHUYYIVSA-N 1 1 406.555 3.897 40 0 HHABMO CCOC[C@@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218633281 568942423 /nfs/dbraw/zinc/94/24/23/568942423.db2.gz NSMLIICRQZEJJM-OKZBNKHCSA-N 1 1 400.327 3.667 40 0 HHABMO Cc1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)sc2[nH]cnc(=O)c12 ZINC000257198915 569058978 /nfs/dbraw/zinc/05/89/78/569058978.db2.gz LPPMVEHGZWXTBA-MJQMVNBJSA-N 1 1 424.570 3.741 40 0 HHABMO COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000253499322 569317759 /nfs/dbraw/zinc/31/77/59/569317759.db2.gz YLUAFORFLJFDMP-IFXJQAMLSA-N 1 1 410.522 3.512 40 0 HHABMO COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000253499322 569317760 /nfs/dbraw/zinc/31/77/60/569317760.db2.gz YLUAFORFLJFDMP-IFXJQAMLSA-N 1 1 410.522 3.512 40 0 HHABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)CC1 ZINC000006953547 569335784 /nfs/dbraw/zinc/33/57/84/569335784.db2.gz CHTHSXQGHVBXBH-UHFFFAOYSA-N 1 1 411.571 3.634 40 0 HHABMO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@@H+](CC(C)(C)C)C3)nc2C)c1 ZINC000019763428 569348871 /nfs/dbraw/zinc/34/88/71/569348871.db2.gz LVJMJOWVIONDIU-IBGZPJMESA-N 1 1 410.562 3.949 40 0 HHABMO C[NH+](C)CCNc1nc(NNc2ccc(Cl)cc2Cl)cc(-c2ccncc2)n1 ZINC000329069053 571304622 /nfs/dbraw/zinc/30/46/22/571304622.db2.gz YULHHVLBYANPNW-UHFFFAOYSA-N 1 1 418.332 4.258 40 0 HHABMO CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccccc2OC)nc(C)n1 ZINC000008622887 291249536 /nfs/dbraw/zinc/24/95/36/291249536.db2.gz DXVNXESSWCDUHO-NSHGMRRFSA-N 1 1 424.545 3.775 40 0 biogenic,in-vitro HHABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3c[nH]c4ccccc34)n2)ccn1 ZINC000035424786 291251574 /nfs/dbraw/zinc/25/15/74/291251574.db2.gz DYZSRFGOEFOUNS-FQEVSTJZSA-N 1 1 419.485 3.975 40 0 biogenic,in-vitro HHABMO COc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4cn(C)c5ccccc45)C[C@H]3F)nc2c1 ZINC000096112270 291255632 /nfs/dbraw/zinc/25/56/32/291255632.db2.gz QTWWQCCDBRESBK-GCJKJVERSA-N 1 1 408.477 3.802 40 0 biogenic,in-vitro HHABMO COc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4cn(C)c5ccccc45)C[C@H]3F)nc2c1 ZINC000096112270 291255635 /nfs/dbraw/zinc/25/56/35/291255635.db2.gz QTWWQCCDBRESBK-GCJKJVERSA-N 1 1 408.477 3.802 40 0 biogenic,in-vitro HHABMO COc1ccc2c(C[N@H+]3CC[C@@H](c4c5cccnc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072352523 525501182 /nfs/dbraw/zinc/50/11/82/525501182.db2.gz OKROAHJTYJEVHL-CQSZACIVSA-N 1 1 420.538 3.885 40 0 HHABMO COc1cccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3ncccc3C)CC2)c1 ZINC000072340674 525946454 /nfs/dbraw/zinc/94/64/54/525946454.db2.gz YDIQRQIWUIPXEM-VWLOTQADSA-N 1 1 421.516 3.942 40 0 HHABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3F)cc2Cl)CC1 ZINC000006241949 557695748 /nfs/dbraw/zinc/69/57/48/557695748.db2.gz MVFQYUBHHZPTEN-UHFFFAOYSA-N 1 1 420.941 3.748 40 0 HHABMO NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000030946323 558746512 /nfs/dbraw/zinc/74/65/12/558746512.db2.gz FZCAULXMUYNPGE-UHFFFAOYSA-N 1 1 406.313 3.943 40 0 HHABMO O=C(C1CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014788 558836849 /nfs/dbraw/zinc/83/68/49/558836849.db2.gz SDZPFXKSEVZQKX-OAQYLSRUSA-N 1 1 412.578 3.562 40 0 HHABMO O=c1cc([C@H]2CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)nc(-c2cnccn2)[nH]1 ZINC000019292896 558864730 /nfs/dbraw/zinc/86/47/30/558864730.db2.gz IJHLTRMINBBYHH-AWEZNQCLSA-N 1 1 416.312 3.913 40 0 HHABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019370389 558878564 /nfs/dbraw/zinc/87/85/64/558878564.db2.gz IKGONPDUUWLZKG-RDGATRHJSA-N 1 1 400.526 3.789 40 0 HHABMO CC(C)c1ccc(C[N@H+]2CCC[C@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 ZINC000019453212 558890731 /nfs/dbraw/zinc/89/07/31/558890731.db2.gz IHKVNTKNFMHYSH-FQEVSTJZSA-N 1 1 411.546 3.775 40 0 HHABMO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019529173 558910774 /nfs/dbraw/zinc/91/07/74/558910774.db2.gz PRKNGJUCDIYREH-VWLOTQADSA-N 1 1 400.526 3.715 40 0 HHABMO CCOCc1cc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OC ZINC000019531139 558911654 /nfs/dbraw/zinc/91/16/54/558911654.db2.gz KIEOIMZMHGENPL-SFHVURJKSA-N 1 1 409.534 3.545 40 0 HHABMO CCOc1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)ccc1OC ZINC000019532007 558912060 /nfs/dbraw/zinc/91/20/60/558912060.db2.gz CGZLSGUBCUINND-IBGZPJMESA-N 1 1 420.513 3.619 40 0 HHABMO CCOc1cc(C[N@H+]2CCC[C@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)ccc1OC ZINC000019532003 558912271 /nfs/dbraw/zinc/91/22/71/558912271.db2.gz JWOGARHTJPRIHV-SFHVURJKSA-N 1 1 420.513 3.619 40 0 HHABMO COc1ccc(OC)c(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1 ZINC000019551549 558915601 /nfs/dbraw/zinc/91/56/01/558915601.db2.gz HSAYYEITCBRPKJ-HXUWFJFHSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1 ZINC000019551549 558915604 /nfs/dbraw/zinc/91/56/04/558915604.db2.gz HSAYYEITCBRPKJ-HXUWFJFHSA-N 1 1 406.486 3.989 40 0 HHABMO COc1cccc2ccc(C[N@H+]3CCC[C@H](c4cc(C(=O)NC5CC5)on4)C3)nc21 ZINC000019568448 558927553 /nfs/dbraw/zinc/92/75/53/558927553.db2.gz UPWUWHQVPNJQQB-INIZCTEOSA-N 1 1 406.486 3.503 40 0 HHABMO COc1ccccc1C[N@H+]1CCN(C)C(=O)[C@@H](Cc2ccccc2-c2cccnc2)C1 ZINC000019589649 558940431 /nfs/dbraw/zinc/94/04/31/558940431.db2.gz PQKIAKZUKXDMHE-QHCPKHFHSA-N 1 1 415.537 3.890 40 0 HHABMO CNc1cc([C@@H]2CCC[N@@H+](Cc3cccc(OC)c3OC)C2)nc(-c2ccncc2)n1 ZINC000019592278 558943262 /nfs/dbraw/zinc/94/32/62/558943262.db2.gz BYLBGHDOOKRQDY-GOSISDBHSA-N 1 1 419.529 3.977 40 0 HHABMO COc1ccc2c(C[N@H+]3CC[C@H](c4c5cccnc5sc4C(N)=O)C3)cn(C)c2c1 ZINC000072352522 558949025 /nfs/dbraw/zinc/94/90/25/558949025.db2.gz OKROAHJTYJEVHL-AWEZNQCLSA-N 1 1 420.538 3.885 40 0 HHABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)cn1 ZINC000019689772 558959225 /nfs/dbraw/zinc/95/92/25/558959225.db2.gz TVVRQULSLNCLNI-OAQYLSRUSA-N 1 1 418.545 3.526 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)cn1 ZINC000019689772 558959226 /nfs/dbraw/zinc/95/92/26/558959226.db2.gz TVVRQULSLNCLNI-OAQYLSRUSA-N 1 1 418.545 3.526 40 0 HHABMO C[N@H+]1CCC[C@@H](c2cccc(CC3(C(=O)NCCc4ccccn4)CCOCC3)c2)C1 ZINC000072372258 558959421 /nfs/dbraw/zinc/95/94/21/558959421.db2.gz XSZATOIGAKBQCZ-HSZRJFAPSA-N 1 1 421.585 3.589 40 0 HHABMO CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc(Nc2ncccc2C)cc(C)[nH+]1 ZINC000072372528 558960121 /nfs/dbraw/zinc/96/01/21/558960121.db2.gz LCZMEMKVVMFMNF-LJQANCHMSA-N 1 1 403.552 3.561 40 0 HHABMO CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000019693967 558961929 /nfs/dbraw/zinc/96/19/29/558961929.db2.gz UITGYNCVZCZTBH-GOSISDBHSA-N 1 1 410.953 3.976 40 0 HHABMO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+](Cc3cnn(C)c3C)C2)c1 ZINC000019694081 558962256 /nfs/dbraw/zinc/96/22/56/558962256.db2.gz QGVBRYHMUQSHGU-LJQANCHMSA-N 1 1 420.561 3.640 40 0 HHABMO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCC[N@H+]2Cc2cnn(C)c2C)cc1 ZINC000019694320 558962770 /nfs/dbraw/zinc/96/27/70/558962770.db2.gz YCUIMFJHONWQLZ-JOCHJYFZSA-N 1 1 420.561 3.987 40 0 HHABMO Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(CC(=O)Nc3ccccc3F)C2)[nH+]1 ZINC000072374867 558963006 /nfs/dbraw/zinc/96/30/06/558963006.db2.gz RWHWCIVBPAYHMN-QGZVFWFLSA-N 1 1 420.492 3.881 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000072398635 558976331 /nfs/dbraw/zinc/97/63/31/558976331.db2.gz CCFVDMDIPDHLOZ-YKSBVNFPSA-N 1 1 416.525 3.869 40 0 HHABMO CN(C)c1ncc(C(=O)N2CCC[C@@]3(CCC[N@H+]3Cc3cc(F)ccc3F)CC2)o1 ZINC000585100294 559023851 /nfs/dbraw/zinc/02/38/51/559023851.db2.gz ARFRHWPOBCMXEX-JOCHJYFZSA-N 1 1 418.488 3.680 40 0 HHABMO O=C(COc1cccc(Cl)c1)N1CCC[C@]2(CCC[N@H+]2C[C@H]2CCCO2)CC1 ZINC000585100719 559024297 /nfs/dbraw/zinc/02/42/97/559024297.db2.gz URFGISSVDRWIDQ-IRLDBZIGSA-N 1 1 406.954 3.745 40 0 HHABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102098 559025239 /nfs/dbraw/zinc/02/52/39/559025239.db2.gz RGSNJZLQSQGENQ-LJQANCHMSA-N 1 1 408.424 3.586 40 0 HHABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102098 559025240 /nfs/dbraw/zinc/02/52/40/559025240.db2.gz RGSNJZLQSQGENQ-LJQANCHMSA-N 1 1 408.424 3.586 40 0 HHABMO COCC[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(C)c(F)c1)CC2)C(C)C ZINC000585104810 559027358 /nfs/dbraw/zinc/02/73/58/559027358.db2.gz SZGCQKVYPWQGAI-FQEVSTJZSA-N 1 1 406.542 3.502 40 0 HHABMO C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000585261807 559109517 /nfs/dbraw/zinc/10/95/17/559109517.db2.gz NCGPEEREHPHNLZ-XMMPIXPASA-N 1 1 410.533 3.733 40 0 HHABMO Cc1noc(C)c1COc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cccc(C)c3)C2)cc1 ZINC000585268692 559112994 /nfs/dbraw/zinc/11/29/94/559112994.db2.gz UJPJOPZGFPEFSS-ZEQRLZLVSA-N 1 1 408.498 3.803 40 0 HHABMO Cc1cnn(CCOc2cccc(C[N@H+]3CCC[C@@](O)(COc4ccccc4)C3)c2)c1 ZINC000585271812 559117778 /nfs/dbraw/zinc/11/77/78/559117778.db2.gz OSONZDJBBRLLOY-VWLOTQADSA-N 1 1 421.541 3.676 40 0 HHABMO CC(=O)N1CC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@@](O)(COc2ccccc2)C1 ZINC000585282362 559120083 /nfs/dbraw/zinc/12/00/83/559120083.db2.gz IIMQOIWBJQLPKL-DGWZTRNLSA-N 1 1 422.569 3.687 40 0 HHABMO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)c(=O)[nH]c2cc1C ZINC000000782531 559279180 /nfs/dbraw/zinc/27/91/80/559279180.db2.gz FRYGNHOFFMAIRG-HXUWFJFHSA-N 1 1 408.550 3.708 40 0 HHABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)cc1 ZINC000257321376 559283044 /nfs/dbraw/zinc/28/30/44/559283044.db2.gz WBKLULDZHVPXQF-IBGZPJMESA-N 1 1 421.497 3.521 40 0 HHABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)cc1 ZINC000257321376 559283046 /nfs/dbraw/zinc/28/30/46/559283046.db2.gz WBKLULDZHVPXQF-IBGZPJMESA-N 1 1 421.497 3.521 40 0 HHABMO O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCCn3ccnc3)c2)C1 ZINC000257330241 559283355 /nfs/dbraw/zinc/28/33/55/559283355.db2.gz XNNNVGPQJMPUQA-VWLOTQADSA-N 1 1 421.541 3.758 40 0 HHABMO Cc1cc(C)n(CCOc2ccc(C[N@@H+](C)C[C@H](O)COC3CCCCC3)cc2)n1 ZINC000257238860 559284078 /nfs/dbraw/zinc/28/40/78/559284078.db2.gz HMVPBRYZDWGTCD-QFIPXVFZSA-N 1 1 415.578 3.721 40 0 HHABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCCCCC3)cc2c1 ZINC000004212346 560603726 /nfs/dbraw/zinc/60/37/26/560603726.db2.gz QIUZQHPZSVWVKZ-HXUWFJFHSA-N 1 1 408.550 3.852 40 0 HHABMO Cc1ccc2c(c1)nnn2C1CC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000004968217 560622377 /nfs/dbraw/zinc/62/23/77/560622377.db2.gz YMLCBLOJDGDGCJ-UHFFFAOYSA-N 1 1 401.873 3.808 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000012710858 560786254 /nfs/dbraw/zinc/78/62/54/560786254.db2.gz IBCHGPAGYKXNSJ-UZLBHIALSA-N 1 1 408.550 3.789 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000012710858 560786256 /nfs/dbraw/zinc/78/62/56/560786256.db2.gz IBCHGPAGYKXNSJ-UZLBHIALSA-N 1 1 408.550 3.789 40 0 HHABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012833870 560788654 /nfs/dbraw/zinc/78/86/54/560788654.db2.gz GWNWGVGASQSWEC-VLIAUNLRSA-N 1 1 408.550 3.708 40 0 HHABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012833870 560788657 /nfs/dbraw/zinc/78/86/57/560788657.db2.gz GWNWGVGASQSWEC-VLIAUNLRSA-N 1 1 408.550 3.708 40 0 HHABMO COc1ccc(C[N@@H+](Cc2cc3c(c(OC)c2)OCO3)C[C@H]2CCCO2)c(OC)c1 ZINC000013994105 560831652 /nfs/dbraw/zinc/83/16/52/560831652.db2.gz YCQOJAVYWULERH-LJQANCHMSA-N 1 1 415.486 3.622 40 0 HHABMO COc1ccc(C[N@H+](Cc2cc3c(c(OC)c2)OCO3)C[C@H]2CCCO2)c(OC)c1 ZINC000013994105 560831653 /nfs/dbraw/zinc/83/16/53/560831653.db2.gz YCQOJAVYWULERH-LJQANCHMSA-N 1 1 415.486 3.622 40 0 HHABMO CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000017090936 560865691 /nfs/dbraw/zinc/86/56/91/560865691.db2.gz FNLSYTRSGIBYGS-UHFFFAOYSA-N 1 1 416.978 3.781 40 0 HHABMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000005185582 568442676 /nfs/dbraw/zinc/44/26/76/568442676.db2.gz KHSPNQFTGFMJJP-IGKWTDBASA-N 1 1 414.546 3.532 40 0 HHABMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000005185582 568442677 /nfs/dbraw/zinc/44/26/77/568442677.db2.gz KHSPNQFTGFMJJP-IGKWTDBASA-N 1 1 414.546 3.532 40 0 HHABMO CCN(CC)CC[NH2+]Cc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000022107418 568475393 /nfs/dbraw/zinc/47/53/93/568475393.db2.gz JAWJYGNFORXTCJ-UHFFFAOYSA-N 1 1 422.367 3.863 40 0 HHABMO COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2c3cccnc3[nH]c2-c2ccco2)cc1 ZINC000057773477 568497689 /nfs/dbraw/zinc/49/76/89/568497689.db2.gz FLFPZOUWPMQDJP-MRXNPFEDSA-N 1 1 407.470 3.703 40 0 HHABMO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224738952 568594376 /nfs/dbraw/zinc/59/43/76/568594376.db2.gz HVEYYPOVZKJRJD-FQEVSTJZSA-N 1 1 402.922 3.646 40 0 HHABMO CCOc1ccc(-c2noc(CNC(=O)c3ccc(Cn4cc[nH+]c4C)cc3)n2)cc1 ZINC000225300623 568628717 /nfs/dbraw/zinc/62/87/17/568628717.db2.gz WIYDHBXFKBWSEA-UHFFFAOYSA-N 1 1 417.469 3.619 40 0 HHABMO COc1cc2c(cc1S(=O)(=O)NCc1ccc(-n3cc[nH+]c3C)cc1)CCCC2 ZINC000225591253 568655340 /nfs/dbraw/zinc/65/53/40/568655340.db2.gz UIGZEWYSEDFRJJ-UHFFFAOYSA-N 1 1 411.527 3.547 40 0 HHABMO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCC(C)CC1 ZINC000225720652 568667822 /nfs/dbraw/zinc/66/78/22/568667822.db2.gz WNUFZILHUUHTMU-UHFFFAOYSA-N 1 1 404.551 3.712 40 0 HHABMO Cc1cc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1N1CCCC1=O ZINC000225731041 568668851 /nfs/dbraw/zinc/66/88/51/568668851.db2.gz RATWQJVUNKMZPF-CALCHBBNSA-N 1 1 402.608 3.776 40 0 HHABMO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000260845559 568742068 /nfs/dbraw/zinc/74/20/68/568742068.db2.gz TYBAQKQSSABVHX-AEFFLSMTSA-N 1 1 400.494 3.932 40 0 HHABMO COc1ccc(C[N@H+]2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c(C)c1C ZINC000257264310 568794103 /nfs/dbraw/zinc/79/41/03/568794103.db2.gz LTVNMNRMLSCTGJ-NRFANRHFSA-N 1 1 424.589 3.775 40 0 HHABMO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1 ZINC000257281399 568798880 /nfs/dbraw/zinc/79/88/80/568798880.db2.gz OOZGAOPUARDUKY-AWEZNQCLSA-N 1 1 401.561 3.682 40 0 HHABMO O=C(C[N@H+]1C[C@@H]2[C@@H](Cc3ccc(Cl)cc3)CC[C@@H]2C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257289552 568801177 /nfs/dbraw/zinc/80/11/77/568801177.db2.gz PZDACLGOBNDAJN-GPMSIDNRSA-N 1 1 424.932 3.649 40 0 HHABMO Cc1cccc(Nc2cncc(C3CCN(C(=O)CC[N@@H+]4CCCC[C@H]4C)CC3)n2)n1 ZINC000257313979 568808440 /nfs/dbraw/zinc/80/84/40/568808440.db2.gz UUXQBDQXNGLSJI-LJQANCHMSA-N 1 1 422.577 3.894 40 0 HHABMO C[N@@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4ncccc4O)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257321597 568810784 /nfs/dbraw/zinc/81/07/84/568810784.db2.gz WCIFUUNCCVOYIV-IOLIHYBQSA-N 1 1 405.542 3.876 40 0 HHABMO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@@H+](CC3CC3)C2)ccc1Cl ZINC000257329322 568812873 /nfs/dbraw/zinc/81/28/73/568812873.db2.gz XJKCSAMEMAFZLB-QHCPKHFHSA-N 1 1 420.981 3.768 40 0 HHABMO Cc1ccc(Nc2nccc(C3CC[NH+](CC(=O)Nc4cccc(F)c4)CC3)n2)nc1 ZINC000257338146 568815415 /nfs/dbraw/zinc/81/54/15/568815415.db2.gz YWCFRQVHQBGATN-UHFFFAOYSA-N 1 1 420.492 3.881 40 0 HHABMO CC(C)n1cc(C[NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)S3(=O)=O)cn1 ZINC000306127996 568890854 /nfs/dbraw/zinc/89/08/54/568890854.db2.gz GNJTYEKGFDAZSZ-UHFFFAOYSA-N 1 1 414.575 3.515 40 0 HHABMO COc1ccc(-c2cnc3c(N4CC[NH+](Cc5cccs5)CC4)nccn23)cc1 ZINC000306133721 568895785 /nfs/dbraw/zinc/89/57/85/568895785.db2.gz MTSWQCLCZCTKKM-UHFFFAOYSA-N 1 1 405.527 3.789 40 0 HHABMO Cc1nc2c(n1C(C)C)C[N@H+](Cc1ccco1)CC21CCN(c2ncccn2)CC1 ZINC000306140507 568902412 /nfs/dbraw/zinc/90/24/12/568902412.db2.gz UVPIQAVNQJNGNS-UHFFFAOYSA-N 1 1 406.534 3.709 40 0 HHABMO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1ccco1)CC21CCN(c2ncccn2)CC1 ZINC000306140507 568902413 /nfs/dbraw/zinc/90/24/13/568902413.db2.gz UVPIQAVNQJNGNS-UHFFFAOYSA-N 1 1 406.534 3.709 40 0 HHABMO COc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(-c4cccc(OC)c4)cnc2CO3)cc1 ZINC000306141594 568903049 /nfs/dbraw/zinc/90/30/49/568903049.db2.gz WBLPOIICBYKMMA-DEOSSOPVSA-N 1 1 405.498 3.742 40 0 HHABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5cnn(C)c5)C4)nn3c2)c1 ZINC000306142228 568903789 /nfs/dbraw/zinc/90/37/89/568903789.db2.gz WUDCRDMDSMIILJ-FQEVSTJZSA-N 1 1 402.502 3.518 40 0 HHABMO O=C(NCc1ccccc1)c1ncn2c1nccc2[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000306142867 568904439 /nfs/dbraw/zinc/90/44/39/568904439.db2.gz XMVPIYACAVLHCP-HXUWFJFHSA-N 1 1 403.530 3.639 40 0 HHABMO Cc1cc(C)cc(C[N@@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306143836 568905240 /nfs/dbraw/zinc/90/52/40/568905240.db2.gz YNTUYJORKKYCFO-XMMPIXPASA-N 1 1 412.541 3.897 40 0 HHABMO CC(C)c1nc(NCCCO)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329030782 568973793 /nfs/dbraw/zinc/97/37/93/568973793.db2.gz QGNNXVXFGWLPEL-UHFFFAOYSA-N 1 1 405.340 3.720 40 0 HHABMO O=C(CCc1ccc2c(c1)CCO2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199322 569059073 /nfs/dbraw/zinc/05/90/73/569059073.db2.gz ZRBXXIDEDYNXKB-JTKRFKOTSA-N 1 1 406.570 3.976 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)[C@H]1CCCO1 ZINC000247470276 569315376 /nfs/dbraw/zinc/31/53/76/569315376.db2.gz FCJWSRJSGDQLJE-WEYGHZABSA-N 1 1 415.484 3.608 40 0 HHABMO C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000253591147 569318207 /nfs/dbraw/zinc/31/82/07/569318207.db2.gz KGTBTABUXNEZMY-LJHODMEESA-N 1 1 412.559 3.512 40 0 HHABMO C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000253591147 569318208 /nfs/dbraw/zinc/31/82/08/569318208.db2.gz KGTBTABUXNEZMY-LJHODMEESA-N 1 1 412.559 3.512 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000019371257 569345434 /nfs/dbraw/zinc/34/54/34/569345434.db2.gz LUHUQWDWAAADJF-XUZZJYLKSA-N 1 1 400.526 3.902 40 0 HHABMO CC(=O)N1CCC[C@H]1c1nc(C[N@@H+](C)C/C(C)=C/c2ccccc2)cc(N(C)C)n1 ZINC000019709819 569348147 /nfs/dbraw/zinc/34/81/47/569348147.db2.gz PPYVVCCNIUSNBB-RRXSNJIPSA-N 1 1 407.562 3.761 40 0 HHABMO COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044908579 569352120 /nfs/dbraw/zinc/35/21/20/569352120.db2.gz VOONAAFNEOAFQK-HKUYNNGSSA-N 1 1 400.494 3.630 40 0 HHABMO COC(=O)c1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NCc3ccccc3)n1)C2 ZINC000328991979 571306862 /nfs/dbraw/zinc/30/68/62/571306862.db2.gz IUKVMRBNNCKISH-UHFFFAOYSA-N 1 1 414.509 4.315 40 0 HHABMO COc1ccc(CC2=C[N@@H+](C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 ZINC000020459283 571314604 /nfs/dbraw/zinc/31/46/04/571314604.db2.gz VQUIKZIRRSKCMH-HSZRJFAPSA-N 1 1 415.493 3.838 40 0 HHABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(C)c3)cc2Cl)CC1 ZINC000006241937 557695675 /nfs/dbraw/zinc/69/56/75/557695675.db2.gz UMYMULPGOFYQBF-UHFFFAOYSA-N 1 1 416.978 3.917 40 0 HHABMO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@@H+]4C4CCOCC4)nc32)cc1 ZINC000019741889 558262468 /nfs/dbraw/zinc/26/24/68/558262468.db2.gz ZHPUBLCRIOREAR-QFIPXVFZSA-N 1 1 420.557 3.889 40 0 HHABMO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@H+]4C4CCOCC4)nc32)cc1 ZINC000019741889 558262471 /nfs/dbraw/zinc/26/24/71/558262471.db2.gz ZHPUBLCRIOREAR-QFIPXVFZSA-N 1 1 420.557 3.889 40 0 HHABMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)c2c(OC)cccc12 ZINC000012185816 558345156 /nfs/dbraw/zinc/34/51/56/558345156.db2.gz ZKRPPZPWUUASJH-MRXNPFEDSA-N 1 1 409.482 3.969 40 0 HHABMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000020451512 558365719 /nfs/dbraw/zinc/36/57/19/558365719.db2.gz QZYSBXJYAWYHHH-MRXNPFEDSA-N 1 1 424.497 3.744 40 0 HHABMO CCC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000012365817 558388176 /nfs/dbraw/zinc/38/81/76/558388176.db2.gz HGXGWBLBQOCZFZ-OXJNMPFZSA-N 1 1 403.548 3.640 40 0 HHABMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCCN2CCOCC2)c(OC)c1 ZINC000036741533 558802260 /nfs/dbraw/zinc/80/22/60/558802260.db2.gz QJUNHDBMSPINDY-FQEVSTJZSA-N 1 1 416.587 3.977 40 0 HHABMO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000079188750 558824521 /nfs/dbraw/zinc/82/45/21/558824521.db2.gz VWBVBJVQKCKFER-CYFREDJKSA-N 1 1 401.595 3.868 40 0 HHABMO O=C(CC1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019014723 558836772 /nfs/dbraw/zinc/83/67/72/558836772.db2.gz LDUOVGMYCPYIAO-GOSISDBHSA-N 1 1 412.578 3.769 40 0 HHABMO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)c(C)c1 ZINC000019132764 558845576 /nfs/dbraw/zinc/84/55/76/558845576.db2.gz ISQKABFSZHBAND-AVRDEDQJSA-N 1 1 409.530 3.903 40 0 HHABMO Cc1ccc(C2(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[nH]3)CC[N@H+](C(C)C)C4)CC2)cc1 ZINC000019136830 558846384 /nfs/dbraw/zinc/84/63/84/558846384.db2.gz LBRZGJNJSYYWOG-NRFANRHFSA-N 1 1 420.557 3.652 40 0 HHABMO COc1ccccc1-c1ccc(C[C@@]2(C(N)=O)CC[N@@H+](Cc3cccc(C)n3)C2)cc1 ZINC000019236134 558855130 /nfs/dbraw/zinc/85/51/30/558855130.db2.gz GASCHUMLCRDZSZ-SANMLTNESA-N 1 1 415.537 3.986 40 0 HHABMO Cc1cccc(C[N@@H+]2CCCN(C(=O)c3noc4c3C[C@@H](C(C)(C)C)CC4)CC2)n1 ZINC000019236278 558855306 /nfs/dbraw/zinc/85/53/06/558855306.db2.gz HQPNHHBKIFRDJY-SFHVURJKSA-N 1 1 410.562 3.877 40 0 HHABMO Cc1cccc(C[N@H+]2CCCN(C(=O)c3noc4c3C[C@@H](C(C)(C)C)CC4)CC2)n1 ZINC000019236278 558855308 /nfs/dbraw/zinc/85/53/08/558855308.db2.gz HQPNHHBKIFRDJY-SFHVURJKSA-N 1 1 410.562 3.877 40 0 HHABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CC[C@@H](c2nc(C(C)C)cc(C(F)(F)F)n2)C1 ZINC000019287660 558860997 /nfs/dbraw/zinc/86/09/97/558860997.db2.gz GHXXKJOUKYMICV-DZGCQCFKSA-N 1 1 409.456 3.776 40 0 HHABMO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292919 558864756 /nfs/dbraw/zinc/86/47/56/558864756.db2.gz UXROIZRDSCIGAT-QGZVFWFLSA-N 1 1 412.440 3.657 40 0 HHABMO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292919 558864758 /nfs/dbraw/zinc/86/47/58/558864758.db2.gz UXROIZRDSCIGAT-QGZVFWFLSA-N 1 1 412.440 3.657 40 0 HHABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1cccc(Oc3ncccn3)c1)C2 ZINC000019331014 558868225 /nfs/dbraw/zinc/86/82/25/558868225.db2.gz AFPLQWQRSWYFEB-SVGJNIJCSA-N 1 1 402.498 3.784 40 0 HHABMO Fc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019348983 558874904 /nfs/dbraw/zinc/87/49/04/558874904.db2.gz JMAYYGNIOFBQGT-SFHVURJKSA-N 1 1 406.509 3.986 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000019371250 558879255 /nfs/dbraw/zinc/87/92/55/558879255.db2.gz LUHUQWDWAAADJF-QPPBQGQZSA-N 1 1 400.526 3.902 40 0 HHABMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000057992191 558893047 /nfs/dbraw/zinc/89/30/47/558893047.db2.gz XELZJZRNKWSHBN-YGHRGLEHSA-N 1 1 411.889 3.619 40 0 HHABMO CCCN1CC[N@@H+](CC2=CCCOC2)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000019503047 558900331 /nfs/dbraw/zinc/90/03/31/558900331.db2.gz GZBYXHCZHLNRRA-RUZDIDTESA-N 1 1 419.569 3.808 40 0 HHABMO CCc1[nH+]ccn1CCC(=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000019523651 558904930 /nfs/dbraw/zinc/90/49/30/558904930.db2.gz PLOWIXFIWUSPOP-LFVIRAHLSA-N 1 1 411.546 3.941 40 0 HHABMO CCN1CC[N@@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527446 558908555 /nfs/dbraw/zinc/90/85/55/558908555.db2.gz YGYXVRBLTZORCY-XMMPIXPASA-N 1 1 414.553 3.975 40 0 HHABMO CCN1CC[N@@H+](Cc2cccc(C)n2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527447 558908590 /nfs/dbraw/zinc/90/85/90/558908590.db2.gz YGYXVRBLTZORCY-DEOSSOPVSA-N 1 1 414.553 3.975 40 0 HHABMO CCN1CC[NH+](CCCNc2ncc(-c3ccncc3)c(-c3ccoc3C)n2)CC1 ZINC000019528196 558909276 /nfs/dbraw/zinc/90/92/76/558909276.db2.gz ICOMWIWLXVKOOH-UHFFFAOYSA-N 1 1 406.534 3.547 40 0 HHABMO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019528749 558910175 /nfs/dbraw/zinc/91/01/75/558910175.db2.gz CIEDHDASILZBFN-DEOSSOPVSA-N 1 1 404.514 3.698 40 0 HHABMO COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000019553967 558917019 /nfs/dbraw/zinc/91/70/19/558917019.db2.gz JAKOLGSQPJGUKP-ZEQRLZLVSA-N 1 1 416.525 3.730 40 0 HHABMO COc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)no2)c1 ZINC000019565616 558925533 /nfs/dbraw/zinc/92/55/33/558925533.db2.gz BSAWCETZVIQJCR-HXUWFJFHSA-N 1 1 405.498 3.993 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019579612 558935369 /nfs/dbraw/zinc/93/53/69/558935369.db2.gz ISVYJMHVJDOTIN-XMMPIXPASA-N 1 1 404.514 3.650 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019580431 558936029 /nfs/dbraw/zinc/93/60/29/558936029.db2.gz RXYAHQQTPSHEMA-RUZDIDTESA-N 1 1 400.526 3.667 40 0 HHABMO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000019591301 558941687 /nfs/dbraw/zinc/94/16/87/558941687.db2.gz ZKIKRHFZYBAKBI-VWLOTQADSA-N 1 1 400.526 3.715 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000019591300 558941750 /nfs/dbraw/zinc/94/17/50/558941750.db2.gz ZKIKRHFZYBAKBI-RUZDIDTESA-N 1 1 400.526 3.715 40 0 HHABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000072345943 558942429 /nfs/dbraw/zinc/94/24/29/558942429.db2.gz MQZSXQHLXKXXQN-GOSISDBHSA-N 1 1 421.932 3.858 40 0 HHABMO COCCC[N@@H+](Cc1c(-c2ccc(F)cc2)nc2ncccn12)Cc1ccccn1 ZINC000019593271 558944308 /nfs/dbraw/zinc/94/43/08/558944308.db2.gz WOYZBWMHHYEDJY-UHFFFAOYSA-N 1 1 405.477 3.969 40 0 HHABMO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352426 558948731 /nfs/dbraw/zinc/94/87/31/558948731.db2.gz JGDQMGFETSGFMX-MRXNPFEDSA-N 1 1 413.587 3.841 40 0 HHABMO CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000072352426 558948732 /nfs/dbraw/zinc/94/87/32/558948732.db2.gz JGDQMGFETSGFMX-MRXNPFEDSA-N 1 1 413.587 3.841 40 0 HHABMO O=C(c1cc([C@H]2C[N@@H+](CC3CCCCC3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000072352689 558949342 /nfs/dbraw/zinc/94/93/42/558949342.db2.gz YMKVSWPKJBKKAS-XMMPIXPASA-N 1 1 423.557 3.661 40 0 HHABMO O=C(Cn1ncc2ccccc2c1=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000019656489 558949325 /nfs/dbraw/zinc/94/93/25/558949325.db2.gz ZTNNRKVMIUPGHF-UHFFFAOYSA-N 1 1 410.477 3.551 40 0 HHABMO O=C(Cn1ncc2ccccc2c1=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000019656489 558949329 /nfs/dbraw/zinc/94/93/29/558949329.db2.gz ZTNNRKVMIUPGHF-UHFFFAOYSA-N 1 1 410.477 3.551 40 0 HHABMO COc1ccc(C2=NO[C@@](C)(C(=O)Nc3ccccc3Cn3cc[nH+]c3C)C2)cc1 ZINC000019661088 558952151 /nfs/dbraw/zinc/95/21/51/558952151.db2.gz WUEUNFBDYGYYDP-HSZRJFAPSA-N 1 1 404.470 3.770 40 0 HHABMO COc1ccc(CC(=O)N2CC[N@H+](C3CCCC3)C[C@H](Cc3ccccn3)C2)cc1 ZINC000072355163 558952572 /nfs/dbraw/zinc/95/25/72/558952572.db2.gz GMXFEVCUPCEVRX-NRFANRHFSA-N 1 1 407.558 3.578 40 0 HHABMO NC(=O)c1cccc(-c2ccc([C@@H]3CCC[N@@H+]3CC(=O)Nc3ccc(F)cc3)nc2)c1 ZINC000019691804 558961051 /nfs/dbraw/zinc/96/10/51/558961051.db2.gz KOLKFBJMCIPTTO-QFIPXVFZSA-N 1 1 418.472 3.762 40 0 HHABMO NC(=O)c1cccc(-c2ccc([C@@H]3CCC[N@H+]3CC(=O)Nc3ccc(F)cc3)nc2)c1 ZINC000019691804 558961053 /nfs/dbraw/zinc/96/10/53/558961053.db2.gz KOLKFBJMCIPTTO-QFIPXVFZSA-N 1 1 418.472 3.762 40 0 HHABMO CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000019693997 558962112 /nfs/dbraw/zinc/96/21/12/558962112.db2.gz ODOICZYKAFXCKB-GOSISDBHSA-N 1 1 410.953 3.976 40 0 HHABMO Cc1c(C[N@@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cnn1C ZINC000019694084 558962312 /nfs/dbraw/zinc/96/23/12/558962312.db2.gz UHAMWWCZQGUENH-SFHVURJKSA-N 1 1 408.525 3.770 40 0 HHABMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(C(=O)N3CCOCC3)cn2)c2cc(F)ccc21 ZINC000019708783 558971236 /nfs/dbraw/zinc/97/12/36/558971236.db2.gz KJAYKZXWHGEDEH-QHCPKHFHSA-N 1 1 422.504 3.522 40 0 HHABMO Cc1cccnc1C[N@@H+]1CCCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 ZINC000072391756 558971449 /nfs/dbraw/zinc/97/14/49/558971449.db2.gz LIRAUELGSQMUOG-UHFFFAOYSA-N 1 1 406.555 3.791 40 0 HHABMO Cc1cccnc1C[N@H+]1CCCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 ZINC000072391756 558971453 /nfs/dbraw/zinc/97/14/53/558971453.db2.gz LIRAUELGSQMUOG-UHFFFAOYSA-N 1 1 406.555 3.791 40 0 HHABMO CCOc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C1)O[C@H](C)C2 ZINC000072392544 558972239 /nfs/dbraw/zinc/97/22/39/558972239.db2.gz RTGNYWGUDRVXII-GQKWOBABSA-N 1 1 408.542 3.842 40 0 HHABMO CCn1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c(C)n1 ZINC000019715575 558976814 /nfs/dbraw/zinc/97/68/14/558976814.db2.gz GECHSPFUNFZZAD-GOSISDBHSA-N 1 1 408.550 3.960 40 0 HHABMO CCn1cc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c(C)n1 ZINC000019715575 558976817 /nfs/dbraw/zinc/97/68/17/558976817.db2.gz GECHSPFUNFZZAD-GOSISDBHSA-N 1 1 408.550 3.960 40 0 HHABMO Cc1noc(C)c1C[N@@H+]1CC[C@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 ZINC000585101964 559025160 /nfs/dbraw/zinc/02/51/60/559025160.db2.gz NIAVUCRAVNWWIU-DEOSSOPVSA-N 1 1 422.529 3.521 40 0 HHABMO Cc1noc(C)c1C[N@H+]1CC[C@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 ZINC000585101964 559025161 /nfs/dbraw/zinc/02/51/61/559025161.db2.gz NIAVUCRAVNWWIU-DEOSSOPVSA-N 1 1 422.529 3.521 40 0 HHABMO COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)C5CC(F)C5)CCO4)[nH+]cn3c2)cc1 ZINC000585113142 559031001 /nfs/dbraw/zinc/03/10/01/559031001.db2.gz MKFXQHPKUOZTDK-NGICGMGXSA-N 1 1 409.461 3.658 40 0 HHABMO C[N@H+]1CCCN(C(=O)c2cc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)CC1 ZINC000096154908 559099293 /nfs/dbraw/zinc/09/92/93/559099293.db2.gz KWGWLMYBZYBOHV-UHFFFAOYSA-N 1 1 413.525 3.629 40 0 HHABMO O=C(CCc1cccnc1)N1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000096245508 559105033 /nfs/dbraw/zinc/10/50/33/559105033.db2.gz PDXXZHKPHCAMDN-KDURUIRLSA-N 1 1 403.448 3.623 40 0 HHABMO CC(=O)N1CC[N@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@](O)(COc2ccc(C)cc2)C1 ZINC000585287871 559123143 /nfs/dbraw/zinc/12/31/43/559123143.db2.gz UELUQDVYKZBEHR-HWBMXIPRSA-N 1 1 416.606 3.874 40 0 HHABMO COc1ccc(C[N@@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)c(OC)c1 ZINC000100752972 559139789 /nfs/dbraw/zinc/13/97/89/559139789.db2.gz FOMUTPGIRZHLIW-UHFFFAOYSA-N 1 1 420.469 3.579 40 0 HHABMO COc1ccc(C[N@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)c(OC)c1 ZINC000100752972 559139791 /nfs/dbraw/zinc/13/97/91/559139791.db2.gz FOMUTPGIRZHLIW-UHFFFAOYSA-N 1 1 420.469 3.579 40 0 HHABMO O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCCn3ccnc3)c2)C1 ZINC000257330240 559283376 /nfs/dbraw/zinc/28/33/76/559283376.db2.gz XNNNVGPQJMPUQA-RUZDIDTESA-N 1 1 421.541 3.758 40 0 HHABMO COc1cccc(-c2cccc(CC3(C(=O)N[C@H]4CCC[N@@H+](C)C4)CCOCC3)c2)c1 ZINC000257252096 559284588 /nfs/dbraw/zinc/28/45/88/559284588.db2.gz JTOBWSBVOUIJRU-QHCPKHFHSA-N 1 1 422.569 3.912 40 0 HHABMO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000004212436 560603755 /nfs/dbraw/zinc/60/37/55/560603755.db2.gz RPBVJVPIQLTYSU-XOBRGWDASA-N 1 1 408.550 3.708 40 0 HHABMO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000004212436 560603756 /nfs/dbraw/zinc/60/37/56/560603756.db2.gz RPBVJVPIQLTYSU-XOBRGWDASA-N 1 1 408.550 3.708 40 0 HHABMO Cc1ccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000409239302 560699659 /nfs/dbraw/zinc/69/96/59/560699659.db2.gz MOFSSIBEEKNMJO-UHFFFAOYSA-N 1 1 417.962 3.589 40 0 HHABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc(OC)cc2OC)CC1 ZINC000021595597 568467692 /nfs/dbraw/zinc/46/76/92/568467692.db2.gz MOESRTDHSVUDAA-UHFFFAOYSA-N 1 1 403.910 3.751 40 0 HHABMO COc1ccc(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)c2c(OC)cccc12 ZINC000022931479 568500861 /nfs/dbraw/zinc/50/08/61/568500861.db2.gz SLBBTVHEMQASAB-UHFFFAOYSA-N 1 1 421.541 3.586 40 0 HHABMO O=C(NCc1nc(-c2cccs2)no1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222596396 568519782 /nfs/dbraw/zinc/51/97/82/568519782.db2.gz JQMKVCSFPPIZPV-OAHLLOKOSA-N 1 1 416.934 3.980 40 0 HHABMO COc1ccc(S(=O)(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1C ZINC000222995236 568533615 /nfs/dbraw/zinc/53/36/15/568533615.db2.gz VANUENIRJWYXSP-UHFFFAOYSA-N 1 1 419.934 3.986 40 0 HHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C)cc1I ZINC000225025673 568609804 /nfs/dbraw/zinc/60/98/04/568609804.db2.gz QUXMOXBMULDLNN-OAHLLOKOSA-N 1 1 414.331 3.984 40 0 HHABMO O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000225278280 568627495 /nfs/dbraw/zinc/62/74/95/568627495.db2.gz RSQTYRNRDQDHSS-QZTJIDSGSA-N 1 1 400.906 3.508 40 0 HHABMO c1cn2cc(C[C@H]3COCC[N@@H+](Cc4ccccc4OC4CCCC4)C3)ncc2n1 ZINC000257207957 568778354 /nfs/dbraw/zinc/77/83/54/568778354.db2.gz BKBOKDKDTGILFO-LJQANCHMSA-N 1 1 406.530 3.742 40 0 HHABMO COc1ncccc1C(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@H+]2C ZINC000257212932 568779727 /nfs/dbraw/zinc/77/97/27/568779727.db2.gz CFMKZXRQICZJLX-HNTODFAGSA-N 1 1 405.542 3.789 40 0 HHABMO CN(C)C(=O)c1sc2nc([C@@]3(C)CCC[N@@H+](Cc4cccnc4)C3)ccc2c1N ZINC000257234696 568786199 /nfs/dbraw/zinc/78/61/99/568786199.db2.gz GUSPZEZXXLHDFK-QFIPXVFZSA-N 1 1 409.559 3.529 40 0 HHABMO Cc1c(F)cccc1NC(=O)C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257236320 568786535 /nfs/dbraw/zinc/78/65/35/568786535.db2.gz HBOXZYJTWCWXSW-LADGPHEKSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1c(F)cccc1NC(=O)C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257236320 568786538 /nfs/dbraw/zinc/78/65/38/568786538.db2.gz HBOXZYJTWCWXSW-LADGPHEKSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)n1 ZINC000257281883 568799230 /nfs/dbraw/zinc/79/92/30/568799230.db2.gz ORILATLXSAXKJO-CAIUVPPLSA-N 1 1 420.601 3.975 40 0 HHABMO COc1cccc(OCCc2cc([C@H]3C[N@H+](Cc4cccc(C)c4)CCO3)[nH]n2)c1 ZINC000257283182 568799325 /nfs/dbraw/zinc/79/93/25/568799325.db2.gz OXCAFXJFFHJHSM-XMMPIXPASA-N 1 1 407.514 3.922 40 0 HHABMO COc1cccc(OCCc2cc([C@H]3C[N@@H+](Cc4cccc(C)c4)CCO3)[nH]n2)c1 ZINC000257283182 568799327 /nfs/dbraw/zinc/79/93/27/568799327.db2.gz OXCAFXJFFHJHSM-XMMPIXPASA-N 1 1 407.514 3.922 40 0 HHABMO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1[nH]nc2ccccc21 ZINC000257296950 568803618 /nfs/dbraw/zinc/80/36/18/568803618.db2.gz RFDKSDYLWLCHJC-YLYPHGCXSA-N 1 1 400.526 3.919 40 0 HHABMO C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000257305151 568806038 /nfs/dbraw/zinc/80/60/38/568806038.db2.gz SOQWWFOJSNLJBU-DEOSSOPVSA-N 1 1 409.505 3.796 40 0 HHABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(Cn3cccn3)cc2)n1 ZINC000257306467 568806460 /nfs/dbraw/zinc/80/64/60/568806460.db2.gz SUIYSDUKLZHQFY-JOCHJYFZSA-N 1 1 412.497 3.798 40 0 HHABMO COc1cccc(OCCc2cc([C@@H]3C[N@H+](Cc4cccc(C)c4)CCO3)nn2C)c1 ZINC000257321186 568810806 /nfs/dbraw/zinc/81/08/06/568810806.db2.gz WAMVMZRFRANQDR-VWLOTQADSA-N 1 1 421.541 3.932 40 0 HHABMO COc1cccc(OCCc2cc([C@@H]3C[N@@H+](Cc4cccc(C)c4)CCO3)nn2C)c1 ZINC000257321186 568810808 /nfs/dbraw/zinc/81/08/08/568810808.db2.gz WAMVMZRFRANQDR-VWLOTQADSA-N 1 1 421.541 3.932 40 0 HHABMO CN(C)C(=O)c1sc2nc([C@@H]3CCCC[N@@H+]3Cc3cncs3)ccc2c1N ZINC000257334649 568814331 /nfs/dbraw/zinc/81/43/31/568814331.db2.gz YGUYTMFNXGTVNT-HNNXBMFYSA-N 1 1 401.561 3.764 40 0 HHABMO CN(C)C(=O)c1sc2nc([C@@H]3CCCC[N@H+]3Cc3cncs3)ccc2c1N ZINC000257334649 568814333 /nfs/dbraw/zinc/81/43/33/568814333.db2.gz YGUYTMFNXGTVNT-HNNXBMFYSA-N 1 1 401.561 3.764 40 0 HHABMO CC(C)n1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cn1 ZINC000306126133 568888792 /nfs/dbraw/zinc/88/87/92/568888792.db2.gz DOAAEQCEJFVTAA-OAQYLSRUSA-N 1 1 401.518 3.948 40 0 HHABMO O=C(Cc1cccs1)N1C[C@@H]2O[C@@H](C[C@@]23CCC[N@@H+](Cc2cccs2)C3)C1 ZINC000306129706 568892293 /nfs/dbraw/zinc/89/22/93/568892293.db2.gz IKONXWKYZKQVIB-NBHGPNQESA-N 1 1 402.585 3.634 40 0 HHABMO COc1ccccc1C[N@@H+]1CCO[C@@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306130700 568893148 /nfs/dbraw/zinc/89/31/48/568893148.db2.gz JNDDXIPSAOGKLB-GMAHTHKFSA-N 1 1 414.571 3.629 40 0 HHABMO COc1ccccc1C[N@H+]1CCO[C@@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306130700 568893150 /nfs/dbraw/zinc/89/31/50/568893150.db2.gz JNDDXIPSAOGKLB-GMAHTHKFSA-N 1 1 414.571 3.629 40 0 HHABMO COc1ncccc1C[N@H+]1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306131514 568893630 /nfs/dbraw/zinc/89/36/30/568893630.db2.gz KHFBAYRNLYXHHV-IBGZPJMESA-N 1 1 400.486 3.575 40 0 HHABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306131327 568893767 /nfs/dbraw/zinc/89/37/67/568893767.db2.gz KCAHHJJLPOIXNZ-UPVQGACJSA-N 1 1 419.550 3.540 40 0 HHABMO CN1CCN(C(=O)Cc2ccsc2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306131757 568894045 /nfs/dbraw/zinc/89/40/45/568894045.db2.gz KPAGMHWUNYDMOW-NRFANRHFSA-N 1 1 417.538 3.516 40 0 HHABMO COc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1 ZINC000306131956 568894277 /nfs/dbraw/zinc/89/42/77/568894277.db2.gz KTWFECDFTPNGDY-OALUTQOASA-N 1 1 403.482 3.592 40 0 HHABMO Cc1nc2c(n1C(C)C)C[N@H+](Cc1ccncc1)CC21CCN(c2ncccn2)CC1 ZINC000306136462 568898219 /nfs/dbraw/zinc/89/82/19/568898219.db2.gz PUGIDXSNGWZUTO-UHFFFAOYSA-N 1 1 417.561 3.511 40 0 HHABMO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1ccncc1)CC21CCN(c2ncccn2)CC1 ZINC000306136462 568898220 /nfs/dbraw/zinc/89/82/20/568898220.db2.gz PUGIDXSNGWZUTO-UHFFFAOYSA-N 1 1 417.561 3.511 40 0 HHABMO COc1ccc(-c2cnc3c(N4CC[NH+](Cc5ccsc5)CC4)nccn23)cc1 ZINC000306138678 568900625 /nfs/dbraw/zinc/90/06/25/568900625.db2.gz SEDGUWJTVABWKE-UHFFFAOYSA-N 1 1 405.527 3.789 40 0 HHABMO Cc1cnc(C(=O)N[C@@H]2CCCC[C@@]23C[N@@H+](C[C@@H]2CCC(C)=C[C@@H]2C)CCO3)cn1 ZINC000306139184 568900945 /nfs/dbraw/zinc/90/09/45/568900945.db2.gz SRMVJUOZJKXZBS-YCYVKTGYSA-N 1 1 412.578 3.521 40 0 HHABMO O=C(NCc1ccccc1)c1ncn2c1nccc2[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000306142866 568904429 /nfs/dbraw/zinc/90/44/29/568904429.db2.gz XMVPIYACAVLHCP-FQEVSTJZSA-N 1 1 403.530 3.639 40 0 HHABMO COc1cccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306143901 568905075 /nfs/dbraw/zinc/90/50/75/568905075.db2.gz YQCVWYAJPQQNCV-WIOPSUGQSA-N 1 1 422.573 3.701 40 0 HHABMO CC(C)c1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329067265 568975552 /nfs/dbraw/zinc/97/55/52/568975552.db2.gz YHEPWRKXKVDPRB-NRFANRHFSA-N 1 1 412.578 3.819 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)[C@H]1CCCO1 ZINC000247469369 569315345 /nfs/dbraw/zinc/31/53/45/569315345.db2.gz DWHQBTCVRJYDIW-WTOYTKOKSA-N 1 1 415.484 3.608 40 0 HHABMO C[C@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000248156375 569316467 /nfs/dbraw/zinc/31/64/67/569316467.db2.gz VVOUDYGERREZBV-AZUAARDMSA-N 1 1 418.541 3.556 40 0 HHABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)CC1 ZINC000006953541 569335602 /nfs/dbraw/zinc/33/56/02/569335602.db2.gz MIKDRJMJIHYKJV-UHFFFAOYSA-N 1 1 411.571 3.634 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)cc1 ZINC000012157783 569344657 /nfs/dbraw/zinc/34/46/57/569344657.db2.gz NEVQXBZFGBLFPC-WIYYLYMNSA-N 1 1 422.554 3.930 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)cc1OC ZINC000019560935 569345616 /nfs/dbraw/zinc/34/56/16/569345616.db2.gz RTJVJMQQJWTSBM-GBXCKJPGSA-N 1 1 423.557 3.968 40 0 HHABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000019690458 569428417 /nfs/dbraw/zinc/42/84/17/569428417.db2.gz CKLPYLHFSIQRKL-NRFANRHFSA-N 1 1 401.514 3.646 40 0 HHABMO CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[N@H+]3CC[C@H](NC(C)=O)C3)C=C2C)o1 ZINC000035442708 291249645 /nfs/dbraw/zinc/24/96/45/291249645.db2.gz LZLLDTMZEXELJT-TUFLPTIASA-N 1 1 402.583 3.630 40 0 biogenic,in-vitro HHABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccc(OC)c3)n2)c1 ZINC000035425083 291251562 /nfs/dbraw/zinc/25/15/62/291251562.db2.gz NLOHOZDUBQKJCF-FQEVSTJZSA-N 1 1 410.474 3.503 40 0 biogenic,in-vitro HHABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccc(OC)c3)n2)c1 ZINC000035425083 291251565 /nfs/dbraw/zinc/25/15/65/291251565.db2.gz NLOHOZDUBQKJCF-FQEVSTJZSA-N 1 1 410.474 3.503 40 0 biogenic,in-vitro HHABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2Cl)CC1 ZINC000006241934 132309746 /nfs/dbraw/zinc/30/97/46/132309746.db2.gz IDFMJVZTJKCIKU-UHFFFAOYSA-N 1 1 420.941 3.748 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)cc1OC ZINC000036719516 524029306 /nfs/dbraw/zinc/02/93/06/524029306.db2.gz XNXDUYBJVOOIQD-PXNSSMCTSA-N 1 1 415.559 3.640 40 0 HHABMO COc1cccc(Cc2cccc([C@H]3CCC[N@H+](C4CCN(C(C)=O)CC4)C3)n2)c1 ZINC000072350209 526084228 /nfs/dbraw/zinc/08/42/28/526084228.db2.gz WJWKDPOATCPOEC-NRFANRHFSA-N 1 1 407.558 3.871 40 0 HHABMO CCCCNC(=O)[C@@H]1C[C@H]2c3cccc4[nH]c(Br)c(c43)C[C@@H]2[N@@H+](C)C1 ZINC000005179328 557638875 /nfs/dbraw/zinc/63/88/75/557638875.db2.gz LTNOUVDGXDBIHL-IFIJOSMWSA-N 1 1 404.352 3.807 40 0 HHABMO CN(C)C(=O)c1cc([C@@H]2C[N@H+](CCCc3ccccc3)CCO2)nc2ccccc21 ZINC000019759312 558275631 /nfs/dbraw/zinc/27/56/31/558275631.db2.gz YGUSCPQPZYLJTN-DEOSSOPVSA-N 1 1 403.526 3.943 40 0 HHABMO CN(C)C(=O)c1cc([C@@H]2C[N@@H+](CCCc3ccccc3)CCO2)nc2ccccc21 ZINC000019759312 558275636 /nfs/dbraw/zinc/27/56/36/558275636.db2.gz YGUSCPQPZYLJTN-DEOSSOPVSA-N 1 1 403.526 3.943 40 0 HHABMO C[C@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 ZINC000012131762 558332937 /nfs/dbraw/zinc/33/29/37/558332937.db2.gz PASOMSLWCUNAGA-HKUYNNGSSA-N 1 1 418.541 3.625 40 0 HHABMO COc1ccc2cnc(C3CC[NH+](CC(=O)CCn4nccc4C)CC3)cc2c1C ZINC000012144157 558335831 /nfs/dbraw/zinc/33/58/31/558335831.db2.gz BTTJGHOHVWHCQG-UHFFFAOYSA-N 1 1 406.530 3.896 40 0 HHABMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182855 558343605 /nfs/dbraw/zinc/34/36/05/558343605.db2.gz LHZUQDZNUSSQCI-QGWWYQLQSA-N 1 1 402.539 3.507 40 0 HHABMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](C)O ZINC000012185788 558345162 /nfs/dbraw/zinc/34/51/62/558345162.db2.gz XHABJUQWILDQGN-KRWDZBQOSA-N 1 1 407.514 3.909 40 0 HHABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@@H+](Cc3ccccc3F)C1)O2 ZINC000012407700 558398687 /nfs/dbraw/zinc/39/86/87/558398687.db2.gz CVVADQOJEXTCJE-CYFREDJKSA-N 1 1 412.505 3.856 40 0 HHABMO COc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(C)=O)c1OC ZINC000019019520 558837549 /nfs/dbraw/zinc/83/75/49/558837549.db2.gz SFHDIIFWAGTQTD-UFYCRDLUSA-N 1 1 400.544 3.602 40 0 HHABMO Cc1ccc(C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C23CCCCC3)c(=O)n1C ZINC000019131557 558845531 /nfs/dbraw/zinc/84/55/31/558845531.db2.gz VMZYEXNXNJASOJ-GGAORHGYSA-N 1 1 419.569 3.601 40 0 HHABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(OC)cc3F)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285505 558859963 /nfs/dbraw/zinc/85/99/63/558859963.db2.gz WCCIQRNOIODYRN-LEWJYISDSA-N 1 1 423.488 3.618 40 0 HHABMO Fc1ccc(OCCC[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1 ZINC000019335922 558869957 /nfs/dbraw/zinc/86/99/57/558869957.db2.gz GRRPBXOXJTZVDN-FHLIZLRMSA-N 1 1 409.456 3.589 40 0 HHABMO c1csc(-c2nc(NCCC[NH+]3CCOCC3)ncc2-c2ccc3c(c2)OCO3)c1 ZINC000019343949 558872767 /nfs/dbraw/zinc/87/27/67/558872767.db2.gz WYFKEXQUTOZOQA-UHFFFAOYSA-N 1 1 424.526 3.735 40 0 HHABMO O=C1NC2(CC[NH+](Cc3coc4ccccc4c3=O)CC2)Nc2ccc(Cl)cc21 ZINC000019375879 558882121 /nfs/dbraw/zinc/88/21/21/558882121.db2.gz UHHJMMLYEVYNNK-UHFFFAOYSA-N 1 1 409.873 3.594 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)[C@@H]1CCCO1 ZINC000019400545 558883150 /nfs/dbraw/zinc/88/31/50/558883150.db2.gz DWHQBTCVRJYDIW-VOQZNFBZSA-N 1 1 415.484 3.608 40 0 HHABMO C[C@H]1CCC[N@@H+](CC(C)(C)NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 ZINC000019496537 558895552 /nfs/dbraw/zinc/89/55/52/558895552.db2.gz UMOVQTQKNZSTDD-KRWDZBQOSA-N 1 1 403.530 3.932 40 0 HHABMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1C[C@@H](c2cccc(OC)c2)[C@H](c2csnn2)C1 ZINC000019500959 558898880 /nfs/dbraw/zinc/89/88/80/558898880.db2.gz UOHNIWRUFCGOHJ-YZGWKJHDSA-N 1 1 414.575 3.521 40 0 HHABMO CCSc1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019520528 558901416 /nfs/dbraw/zinc/90/14/16/558901416.db2.gz CRQJZXOECVRVBO-HNNXBMFYSA-N 1 1 413.572 3.780 40 0 HHABMO CCc1[nH+]ccn1[C@@H](C)C(=O)N1CC[C@@H](c2nc(C(C)C)cc(C(F)(F)F)n2)C1 ZINC000019523481 558904634 /nfs/dbraw/zinc/90/46/34/558904634.db2.gz VTIZASSUUBXPSE-UONOGXRCSA-N 1 1 409.456 3.955 40 0 HHABMO CCc1[nH+]ccn1[C@H](C)C(=O)N1CC[C@@H](c2nc(C(C)C)cc(C(F)(F)F)n2)C1 ZINC000019523482 558904745 /nfs/dbraw/zinc/90/47/45/558904745.db2.gz VTIZASSUUBXPSE-ZIAGYGMSSA-N 1 1 409.456 3.955 40 0 HHABMO CCN1CC[N@@H+](Cc2ccccn2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527448 558908799 /nfs/dbraw/zinc/90/87/99/558908799.db2.gz RGBJALRINFTFRA-HSZRJFAPSA-N 1 1 400.526 3.667 40 0 HHABMO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019529184 558910833 /nfs/dbraw/zinc/91/08/33/558910833.db2.gz BDPUQGFWWMDDQZ-RUZDIDTESA-N 1 1 400.526 3.715 40 0 HHABMO CCOC(=O)[C@@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000019530033 558911280 /nfs/dbraw/zinc/91/12/80/558911280.db2.gz ZBQHRWZVSMTWRZ-GAJHUEQPSA-N 1 1 416.493 3.705 40 0 HHABMO COc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CC[C@@H]3CCCO3)CC2)cc1 ZINC000019553312 558916599 /nfs/dbraw/zinc/91/65/99/558916599.db2.gz JVWGYKZATULCHZ-UKILVPOCSA-N 1 1 408.542 3.888 40 0 HHABMO Cc1cc(C[N@@H+]2CCC[C@H](Cn3nnc4c3nc(C(C)C)[nH]c4=O)C2)c(C)s1 ZINC000019567967 558926998 /nfs/dbraw/zinc/92/69/98/558926998.db2.gz GXMPAHLXAHDGOW-HNNXBMFYSA-N 1 1 400.552 3.641 40 0 HHABMO COc1cccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1OC ZINC000019567879 558927095 /nfs/dbraw/zinc/92/70/95/558927095.db2.gz BSRFEUVKJLUHBG-IBGZPJMESA-N 1 1 406.486 3.989 40 0 HHABMO COc1cccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1OC ZINC000019567879 558927098 /nfs/dbraw/zinc/92/70/98/558927098.db2.gz BSRFEUVKJLUHBG-IBGZPJMESA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc2[nH]c(C)c(C(=O)CN3CCC(O)(Cn4cc[nH+]c4C(C)C)CC3)c2c1 ZINC000019581471 558936854 /nfs/dbraw/zinc/93/68/54/558936854.db2.gz RGCSDRPAJDWAPV-UHFFFAOYSA-N 1 1 424.545 3.515 40 0 HHABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019591333 558941614 /nfs/dbraw/zinc/94/16/14/558941614.db2.gz AYXOPBYWRLFALI-VWLOTQADSA-N 1 1 400.526 3.715 40 0 HHABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)CC1 ZINC000072346207 558943053 /nfs/dbraw/zinc/94/30/53/558943053.db2.gz ZSSNITNTBIKMEI-QGZVFWFLSA-N 1 1 413.953 3.570 40 0 HHABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000072352372 558948650 /nfs/dbraw/zinc/94/86/50/558948650.db2.gz VWACGSGYPHHTSN-CQSZACIVSA-N 1 1 411.502 3.828 40 0 HHABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000072352372 558948653 /nfs/dbraw/zinc/94/86/53/558948653.db2.gz VWACGSGYPHHTSN-CQSZACIVSA-N 1 1 411.502 3.828 40 0 HHABMO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072354654 558951764 /nfs/dbraw/zinc/95/17/64/558951764.db2.gz XWRMDTOFMIBWJW-IBGZPJMESA-N 1 1 409.440 3.780 40 0 HHABMO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072354654 558951767 /nfs/dbraw/zinc/95/17/67/558951767.db2.gz XWRMDTOFMIBWJW-IBGZPJMESA-N 1 1 409.440 3.780 40 0 HHABMO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)[nH]n2)c1 ZINC000072371675 558958641 /nfs/dbraw/zinc/95/86/41/558958641.db2.gz UURVOAMNGWIXOS-CQSZACIVSA-N 1 1 405.424 3.763 40 0 HHABMO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4ncc[nH]4)C3)[nH]n2)c1 ZINC000072371675 558958644 /nfs/dbraw/zinc/95/86/44/558958644.db2.gz UURVOAMNGWIXOS-CQSZACIVSA-N 1 1 405.424 3.763 40 0 HHABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000019690422 558959865 /nfs/dbraw/zinc/95/98/65/558959865.db2.gz XGGFPANHQXMCFT-NRFANRHFSA-N 1 1 419.504 3.785 40 0 HHABMO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)[nH+]1 ZINC000072372658 558960402 /nfs/dbraw/zinc/96/04/02/558960402.db2.gz LETRRUAJGJGGOH-FQEVSTJZSA-N 1 1 407.449 3.805 40 0 HHABMO Cc1cnc(CCNC(=O)c2ccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)nc2)s1 ZINC000072374393 558961854 /nfs/dbraw/zinc/96/18/54/558961854.db2.gz ZSNAIHGDKKAZMU-IBGZPJMESA-N 1 1 421.570 3.594 40 0 HHABMO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCC[N@H+]2Cc2cn(C)nc2C)cc1 ZINC000019694314 558962622 /nfs/dbraw/zinc/96/26/22/558962622.db2.gz GYXBQYSIPAMSTK-JOCHJYFZSA-N 1 1 420.561 3.987 40 0 HHABMO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)cn1 ZINC000072375769 558964629 /nfs/dbraw/zinc/96/46/29/558964629.db2.gz IQQIJVPZBVOLTL-FQEVSTJZSA-N 1 1 404.518 3.845 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)cn1 ZINC000072375769 558964631 /nfs/dbraw/zinc/96/46/31/558964631.db2.gz IQQIJVPZBVOLTL-FQEVSTJZSA-N 1 1 404.518 3.845 40 0 HHABMO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3cncs3)CC2)nc2ccccn12 ZINC000585100717 559024254 /nfs/dbraw/zinc/02/42/54/559024254.db2.gz UQQVPSOYVWBWKV-QFIPXVFZSA-N 1 1 409.559 3.647 40 0 HHABMO CC(C)n1cc(C[N@H+]2CCC[C@@]3(C[C@@H](NC(=O)OCc4ccccc4)CO3)C2)cn1 ZINC000585102401 559026114 /nfs/dbraw/zinc/02/61/14/559026114.db2.gz HFWWMCABYRSAPF-FYYLOGMGSA-N 1 1 412.534 3.514 40 0 HHABMO O=C(c1cccc(F)c1)N1CCC2(C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000585113484 559031170 /nfs/dbraw/zinc/03/11/70/559031170.db2.gz PWLNZIVGQVVMQX-RUZDIDTESA-N 1 1 408.517 3.971 40 0 HHABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096056076 559093996 /nfs/dbraw/zinc/09/39/96/559093996.db2.gz JLDGRCDPEDKWOU-REWPJTCUSA-N 1 1 413.587 3.729 40 0 HHABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2 ZINC000096056076 559093997 /nfs/dbraw/zinc/09/39/97/559093997.db2.gz JLDGRCDPEDKWOU-REWPJTCUSA-N 1 1 413.587 3.729 40 0 HHABMO CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096056076 559093999 /nfs/dbraw/zinc/09/39/99/559093999.db2.gz JLDGRCDPEDKWOU-REWPJTCUSA-N 1 1 413.587 3.729 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1 ZINC000096215611 559101781 /nfs/dbraw/zinc/10/17/81/559101781.db2.gz HRZDHQNJUVTHHY-QFIPXVFZSA-N 1 1 418.534 3.511 40 0 HHABMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2cccc(F)c2)C1 ZINC000585260805 559108607 /nfs/dbraw/zinc/10/86/07/559108607.db2.gz FMLYSSVKXXBLRF-NHCUHLMSSA-N 1 1 400.494 3.808 40 0 HHABMO CO[C@]1(COc2ccc(C)cc2)CCC[N@@H+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272758 559118201 /nfs/dbraw/zinc/11/82/01/559118201.db2.gz JKSRWOZUZCFRTH-XMMPIXPASA-N 1 1 414.521 3.700 40 0 HHABMO O[C@H]1CC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585283725 559120803 /nfs/dbraw/zinc/12/08/03/559120803.db2.gz UCEBZETVXCAHCH-BTDFZRAWSA-N 1 1 417.496 3.868 40 0 HHABMO Cc1cc(OC[C@]2(O)COCC[N@@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)C2)ccc1F ZINC000585287335 559122036 /nfs/dbraw/zinc/12/20/36/559122036.db2.gz MSFKBYQEZUCRIS-VEXUSMLFSA-N 1 1 423.569 3.544 40 0 HHABMO Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)c12 ZINC000017082252 559122611 /nfs/dbraw/zinc/12/26/11/559122611.db2.gz NZTGNSVSLLDOKS-LJQANCHMSA-N 1 1 401.514 3.527 40 0 HHABMO NC(=O)c1ccc(-c2cccc([C@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)cc1 ZINC000257215817 559282761 /nfs/dbraw/zinc/28/27/61/559282761.db2.gz CRUBZZASWMRGFN-RUZDIDTESA-N 1 1 424.504 3.969 40 0 HHABMO NC(=O)c1ccc(-c2cccc([C@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)cc1 ZINC000257215817 559282762 /nfs/dbraw/zinc/28/27/62/559282762.db2.gz CRUBZZASWMRGFN-RUZDIDTESA-N 1 1 424.504 3.969 40 0 HHABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004212311 560603766 /nfs/dbraw/zinc/60/37/66/560603766.db2.gz GWNWGVGASQSWEC-VBKZILBWSA-N 1 1 408.550 3.708 40 0 HHABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004212311 560603767 /nfs/dbraw/zinc/60/37/67/560603767.db2.gz GWNWGVGASQSWEC-VBKZILBWSA-N 1 1 408.550 3.708 40 0 HHABMO Cc1cc(C)c(OC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000022030568 560890787 /nfs/dbraw/zinc/89/07/87/560890787.db2.gz WATBMCYKLYEPJB-JOCHJYFZSA-N 1 1 402.966 3.823 40 0 HHABMO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000021822187 568471797 /nfs/dbraw/zinc/47/17/97/568471797.db2.gz MCDIIBGNQXTYJD-UHFFFAOYSA-N 1 1 402.336 3.514 40 0 HHABMO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)cc2c1 ZINC000057607827 568493876 /nfs/dbraw/zinc/49/38/76/568493876.db2.gz IDLSBSKJTYNMIZ-UHFFFAOYSA-N 1 1 424.549 3.613 40 0 HHABMO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)cc2c1 ZINC000057607827 568493878 /nfs/dbraw/zinc/49/38/78/568493878.db2.gz IDLSBSKJTYNMIZ-UHFFFAOYSA-N 1 1 424.549 3.613 40 0 HHABMO COc1ccccc1OCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224549446 568584629 /nfs/dbraw/zinc/58/46/29/568584629.db2.gz LHGWYMDYOYLSIH-UHFFFAOYSA-N 1 1 420.912 3.895 40 0 HHABMO Cc1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(I)c1 ZINC000225025455 568609800 /nfs/dbraw/zinc/60/98/00/568609800.db2.gz ZHBSZTCPZJRVID-GASCZTMLSA-N 1 1 414.331 3.697 40 0 HHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000225300124 568628549 /nfs/dbraw/zinc/62/85/49/568628549.db2.gz FLYRYQZRTJSQBU-UHFFFAOYSA-N 1 1 401.470 3.870 40 0 HHABMO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCCCC1 ZINC000225657474 568660658 /nfs/dbraw/zinc/66/06/58/568660658.db2.gz VYZYJLLIAIIBKG-UHFFFAOYSA-N 1 1 404.551 3.856 40 0 HHABMO CC(C)c1ccc(NC(=O)CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)[C@@H](O)C2)cc1 ZINC000257207371 568778253 /nfs/dbraw/zinc/77/82/53/568778253.db2.gz BHLZWMLSTBPKLI-AHWVRZQESA-N 1 1 421.585 3.850 40 0 HHABMO C[N@@H+]1CCN(C(=O)C2(C)CCN(C(=O)c3ccccc3F)CC2)C[C@H]1c1ccccc1 ZINC000257229425 568784732 /nfs/dbraw/zinc/78/47/32/568784732.db2.gz FYCDYUZWRDTAHX-QFIPXVFZSA-N 1 1 423.532 3.583 40 0 HHABMO C[N@H+]1CCN(C(=O)C2(C)CCN(C(=O)c3ccccc3F)CC2)C[C@H]1c1ccccc1 ZINC000257229425 568784735 /nfs/dbraw/zinc/78/47/35/568784735.db2.gz FYCDYUZWRDTAHX-QFIPXVFZSA-N 1 1 423.532 3.583 40 0 HHABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1cccnc1 ZINC000257229911 568784880 /nfs/dbraw/zinc/78/48/80/568784880.db2.gz FZYWVPDUHZQVKT-CAIUVPPLSA-N 1 1 419.569 3.936 40 0 HHABMO Cc1nc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4cnc(C)cn4)CCO3)c2)sc1C ZINC000257253887 568791348 /nfs/dbraw/zinc/79/13/48/568791348.db2.gz KARKRHVOACNCTL-IBGZPJMESA-N 1 1 424.530 3.519 40 0 HHABMO CN(C)C(=O)c1sc2nc(C3(C)CC[NH+](Cc4cscn4)CC3)ccc2c1N ZINC000257255171 568791761 /nfs/dbraw/zinc/79/17/61/568791761.db2.gz KGKJXRLGTSOYHP-UHFFFAOYSA-N 1 1 415.588 3.591 40 0 HHABMO Cn1nc([C@H]2C[N@H+](CC3CC3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 ZINC000257288070 568800832 /nfs/dbraw/zinc/80/08/32/568800832.db2.gz PSQYUEFHPRBKGA-HXUWFJFHSA-N 1 1 409.452 3.844 40 0 HHABMO Cn1nc([C@H]2C[N@@H+](CC3CC3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 ZINC000257288070 568800834 /nfs/dbraw/zinc/80/08/34/568800834.db2.gz PSQYUEFHPRBKGA-HXUWFJFHSA-N 1 1 409.452 3.844 40 0 HHABMO Cc1[nH+]ccn1Cc1ccc(N[C@H](c2ccc3ncccc3c2)[C@H](O)[C@H](C)O)cc1 ZINC000257327180 568812543 /nfs/dbraw/zinc/81/25/43/568812543.db2.gz XAHVPXCAFJEZFS-NAKSJZFLSA-N 1 1 402.498 3.683 40 0 HHABMO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257344331 568817355 /nfs/dbraw/zinc/81/73/55/568817355.db2.gz ZWSPQNYWXBQBRE-QGZVFWFLSA-N 1 1 418.944 3.943 40 0 HHABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257344331 568817357 /nfs/dbraw/zinc/81/73/57/568817357.db2.gz ZWSPQNYWXBQBRE-QGZVFWFLSA-N 1 1 418.944 3.943 40 0 HHABMO FC(F)(F)c1ccc(-n2ncc3c2COC[C@H]3[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000306125709 568888388 /nfs/dbraw/zinc/88/83/88/568888388.db2.gz CZBPIFWMNXUDNY-QGZVFWFLSA-N 1 1 417.387 3.981 40 0 HHABMO COc1ccc(-c2cccc3nc([C@@H]4C[N@H+](Cc5cccnc5)CCN4C)cn32)cc1 ZINC000306127954 568890767 /nfs/dbraw/zinc/89/07/67/568890767.db2.gz GLQQXSGQRNUAMO-DEOSSOPVSA-N 1 1 413.525 3.894 40 0 HHABMO COc1ccc(-c2cccc3nc([C@@H]4C[N@@H+](Cc5cccnc5)CCN4C)cn32)cc1 ZINC000306127954 568890770 /nfs/dbraw/zinc/89/07/70/568890770.db2.gz GLQQXSGQRNUAMO-DEOSSOPVSA-N 1 1 413.525 3.894 40 0 HHABMO COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1 ZINC000306131958 568894101 /nfs/dbraw/zinc/89/41/01/568894101.db2.gz KTWFECDFTPNGDY-RTBURBONSA-N 1 1 403.482 3.592 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccccc4F)C[C@H]32)cc1 ZINC000306136465 568898093 /nfs/dbraw/zinc/89/80/93/568898093.db2.gz PUHCRIIAMDRBQS-DHIUTWEWSA-N 1 1 405.473 3.717 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccccc4F)C[C@H]32)cc1 ZINC000306136465 568898095 /nfs/dbraw/zinc/89/80/95/568898095.db2.gz PUHCRIIAMDRBQS-DHIUTWEWSA-N 1 1 405.473 3.717 40 0 HHABMO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)nn2c1 ZINC000306139378 568901335 /nfs/dbraw/zinc/90/13/35/568901335.db2.gz SVQHNWXWVPBPSK-SFHVURJKSA-N 1 1 420.492 3.657 40 0 HHABMO O=C(NCc1ccc(F)cc1)[C@@H]1COCC[N@@H+](Cc2cccnc2)[C@H]1c1ccccc1 ZINC000306140524 568902418 /nfs/dbraw/zinc/90/24/18/568902418.db2.gz UWDWFYFMELKYET-RPWUZVMVSA-N 1 1 419.500 3.727 40 0 HHABMO Cc1nc(N[C@@H](CO)C(C)C)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000329005244 568972186 /nfs/dbraw/zinc/97/21/86/568972186.db2.gz KXGLRVDZSQGHII-KRWDZBQOSA-N 1 1 410.440 3.675 40 0 HHABMO O[C@@H](COc1ccccc1Cl)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000026919788 569025729 /nfs/dbraw/zinc/02/57/29/569025729.db2.gz NEBKEJQRNSDBIR-QGZVFWFLSA-N 1 1 414.855 3.921 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)cc1 ZINC000012157786 569344598 /nfs/dbraw/zinc/34/45/98/569344598.db2.gz NEVQXBZFGBLFPC-GHTZIAJQSA-N 1 1 422.554 3.930 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c(OC)c1 ZINC000019552250 569345710 /nfs/dbraw/zinc/34/57/10/569345710.db2.gz RRHPAUUBXJDDLQ-AUSIDOKSSA-N 1 1 409.530 3.578 40 0 HHABMO Cc1nn2c(nccc2[C@H]2CCN(C(=O)CCC3CCCC3)C2)c1Cn1cc[nH+]c1C ZINC000019707606 569348008 /nfs/dbraw/zinc/34/80/08/569348008.db2.gz XFIUCKWXGJGBPN-FQEVSTJZSA-N 1 1 420.561 3.877 40 0 HHABMO COc1ccc(C[N@H+]2CC[C@]3(C)[C@H]2CCCCC(=O)N3C)cc1Cn1nc(C)cc1C ZINC000019713675 569348375 /nfs/dbraw/zinc/34/83/75/569348375.db2.gz QTCHFGJXKBGXPO-ILBGXUMGSA-N 1 1 424.589 3.922 40 0 HHABMO COc1ccc(C[N@H+]2CC[C@@]3(C)NC(=O)CCCC[C@@H]23)cc1Cc1c(C)n[nH]c1C ZINC000019713388 569348416 /nfs/dbraw/zinc/34/84/16/569348416.db2.gz BNDNUBIRYLNDGO-ISKFKSNPSA-N 1 1 410.562 3.649 40 0 HHABMO COc1ccc(CN2C(=O)CCCC[C@H]3[N@@H+](Cc4cnn(C)c4C)CC[C@]32C)cc1 ZINC000019713677 569348462 /nfs/dbraw/zinc/34/84/62/569348462.db2.gz CQHUOTUPQOTWAP-ISKFKSNPSA-N 1 1 410.562 3.673 40 0 HHABMO O=C(NCCCn1cccn1)c1ccc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)nc1 ZINC000019752769 558271954 /nfs/dbraw/zinc/27/19/54/558271954.db2.gz JGCUXDUDUCJWKQ-OAQYLSRUSA-N 1 1 421.520 3.617 40 0 HHABMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)NC(c1ccccc1)c1ccccc1 ZINC000012114531 558327271 /nfs/dbraw/zinc/32/72/71/558327271.db2.gz WNGNLKCISMZJII-KMXBQNHCSA-N 1 1 416.521 4.000 40 0 HHABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)NC(c1ccccc1)c1ccccc1 ZINC000012114531 558327273 /nfs/dbraw/zinc/32/72/73/558327273.db2.gz WNGNLKCISMZJII-KMXBQNHCSA-N 1 1 416.521 4.000 40 0 HHABMO COc1ccc2cnc(C3CC[NH+](CC(=O)CCn4ccc(C)n4)CC3)cc2c1C ZINC000012144158 558335911 /nfs/dbraw/zinc/33/59/11/558335911.db2.gz IQAQXUKAVKJWIL-UHFFFAOYSA-N 1 1 406.530 3.896 40 0 HHABMO COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000012182136 558343112 /nfs/dbraw/zinc/34/31/12/558343112.db2.gz XYXCXSVJAPNTOJ-BHYGNILZSA-N 1 1 409.456 3.795 40 0 HHABMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000012182208 558343158 /nfs/dbraw/zinc/34/31/58/558343158.db2.gz HAFYLKNECXTJLO-OHQAAIJDSA-N 1 1 418.994 3.879 40 0 HHABMO CC1(C)CCC[N@@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182823 558343510 /nfs/dbraw/zinc/34/35/10/558343510.db2.gz UNBAHXBDHOIJKF-ZWKOTPCHSA-N 1 1 402.539 3.509 40 0 HHABMO COc1ccc(-c2nc(C3CC[NH+](Cc4cnc(SC)nc4)CC3)cc(=O)[nH]2)cc1 ZINC000012328988 558383785 /nfs/dbraw/zinc/38/37/85/558383785.db2.gz ZZRMMCWRPBDVGN-UHFFFAOYSA-N 1 1 423.542 3.749 40 0 HHABMO O=C(CSCc1ccccc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023958601 558582813 /nfs/dbraw/zinc/58/28/13/558582813.db2.gz GKBIXANEQDZXJR-UHFFFAOYSA-N 1 1 404.963 3.722 40 0 HHABMO COc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1OC ZINC000028220627 558693032 /nfs/dbraw/zinc/69/30/32/558693032.db2.gz SBEUILKAJUHRCY-LJQANCHMSA-N 1 1 416.949 3.928 40 0 HHABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850739 558818763 /nfs/dbraw/zinc/81/87/63/558818763.db2.gz ZHGOXBOKEJTHOV-JOCHJYFZSA-N 1 1 411.977 3.896 40 0 HHABMO O=C(CC1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019014725 558836838 /nfs/dbraw/zinc/83/68/38/558836838.db2.gz LDUOVGMYCPYIAO-SFHVURJKSA-N 1 1 412.578 3.769 40 0 HHABMO Cc1cc(-c2cncnc2C2CC[NH+](CC(=O)Nc3ccc4c(c3)CCC4)CC2)on1 ZINC000019124220 558844211 /nfs/dbraw/zinc/84/42/11/558844211.db2.gz ACMURKYCRVHNHO-UHFFFAOYSA-N 1 1 417.513 3.747 40 0 HHABMO Fc1ccccc1OCCC[N@@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019368113 558877119 /nfs/dbraw/zinc/87/71/19/558877119.db2.gz FCGYDNVOBCSPHS-HYVNUMGLSA-N 1 1 409.456 3.589 40 0 HHABMO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC000019404195 558884318 /nfs/dbraw/zinc/88/43/18/558884318.db2.gz RBEAAYGPVFBBQC-QFIPXVFZSA-N 1 1 422.577 3.570 40 0 HHABMO CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019499847 558898122 /nfs/dbraw/zinc/89/81/22/558898122.db2.gz IGIJKYZXMNJXEO-JXFKEZNVSA-N 1 1 400.567 3.830 40 0 HHABMO CCc1ncc(C[N@H+]2CC[C@@](Cc3ccc(-c4ccccc4)cc3)(C(N)=O)C2)cn1 ZINC000019523310 558904349 /nfs/dbraw/zinc/90/43/49/558904349.db2.gz ZUZMBIBPYHHQTR-VWLOTQADSA-N 1 1 400.526 3.626 40 0 HHABMO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019529158 558910786 /nfs/dbraw/zinc/91/07/86/558910786.db2.gz QNODKOVCNMFZSC-RUZDIDTESA-N 1 1 400.526 3.715 40 0 HHABMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c(OC)c1 ZINC000019552332 558915776 /nfs/dbraw/zinc/91/57/76/558915776.db2.gz XIXJJEIVVPDBGG-HXUWFJFHSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c(OC)c1 ZINC000019552332 558915779 /nfs/dbraw/zinc/91/57/79/558915779.db2.gz XIXJJEIVVPDBGG-HXUWFJFHSA-N 1 1 406.486 3.989 40 0 HHABMO COc1cccc(C[N@H+]2CC[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 ZINC000019564716 558924786 /nfs/dbraw/zinc/92/47/86/558924786.db2.gz MUEOCEPWZSDPLI-RUZDIDTESA-N 1 1 401.510 3.677 40 0 HHABMO COc1cccc(OC)c1C[NH+]1CCN(c2ccccc2[C@@H](O)c2cccnc2)CC1 ZINC000019567095 558926427 /nfs/dbraw/zinc/92/64/27/558926427.db2.gz MTHBCKYYHOZYHT-VWLOTQADSA-N 1 1 419.525 3.503 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)c1OC ZINC000072337772 558938106 /nfs/dbraw/zinc/93/81/06/558938106.db2.gz NYOKLTCMXIMYEY-LPHOPBHVSA-N 1 1 415.559 3.640 40 0 HHABMO COc1ccccc1C[N@H+]1CCN(C)C(=O)[C@H](Cc2ccccc2-c2cccnc2)C1 ZINC000019589650 558940367 /nfs/dbraw/zinc/94/03/67/558940367.db2.gz PQKIAKZUKXDMHE-HSZRJFAPSA-N 1 1 415.537 3.890 40 0 HHABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1 ZINC000072346068 558942721 /nfs/dbraw/zinc/94/27/21/558942721.db2.gz LXKGIXYLTGEDRT-NRFANRHFSA-N 1 1 415.541 3.637 40 0 HHABMO Cc1cc(N2CC[C@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)nc(C)[nH+]1 ZINC000072352436 558948780 /nfs/dbraw/zinc/94/87/80/558948780.db2.gz DBDRLEPNHOVSCN-KRWDZBQOSA-N 1 1 422.554 3.774 40 0 HHABMO O=C(C[N@@H+]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)N1CCCCC1 ZINC000072369956 558956120 /nfs/dbraw/zinc/95/61/20/558956120.db2.gz ZVYZARDEUFAOLW-HNNXBMFYSA-N 1 1 408.424 3.557 40 0 HHABMO CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(Nc2ncccc2C)cc(C)[nH+]1 ZINC000072372529 558960040 /nfs/dbraw/zinc/96/00/40/558960040.db2.gz LCZMEMKVVMFMNF-IBGZPJMESA-N 1 1 403.552 3.561 40 0 HHABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@H+]2Cc2ccccc2F)n1 ZINC000019690455 558960057 /nfs/dbraw/zinc/96/00/57/558960057.db2.gz BBFABOFZGNTHHK-OAQYLSRUSA-N 1 1 419.504 3.785 40 0 HHABMO Cc1c(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cnn1C ZINC000019694085 558962337 /nfs/dbraw/zinc/96/23/37/558962337.db2.gz GVCCAVYARGPEIK-GOSISDBHSA-N 1 1 408.525 3.770 40 0 HHABMO COc1cccc(CN2CC=CC[C@@H](C3CCN(c4cc(C)[nH+]c(C)n4)CC3)C2=O)c1 ZINC000019698350 558965969 /nfs/dbraw/zinc/96/59/69/558965969.db2.gz WNKRGVOPBXSLCI-QHCPKHFHSA-N 1 1 420.557 3.923 40 0 HHABMO C[C@@H](CC[N@H+]1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1)c1ccccc1 ZINC000019701039 558967304 /nfs/dbraw/zinc/96/73/04/558967304.db2.gz KDKZWCLRXSWIHZ-SFHVURJKSA-N 1 1 415.541 3.541 40 0 HHABMO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@@H+]2Cc2cccc3cccnc32)n1 ZINC000019709784 558971737 /nfs/dbraw/zinc/97/17/37/558971737.db2.gz JPBJZTCYBVGFJF-OAQYLSRUSA-N 1 1 418.545 3.772 40 0 HHABMO CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCC[N@H+]2Cc2cccc3cccnc32)n1 ZINC000019709784 558971739 /nfs/dbraw/zinc/97/17/39/558971739.db2.gz JPBJZTCYBVGFJF-OAQYLSRUSA-N 1 1 418.545 3.772 40 0 HHABMO CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](C2CCOCC2)C1 ZINC000072396050 558975079 /nfs/dbraw/zinc/97/50/79/558975079.db2.gz YXFFDRQQJKHDIR-DEOSSOPVSA-N 1 1 411.546 3.590 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c1OC ZINC000072398559 558975893 /nfs/dbraw/zinc/97/58/93/558975893.db2.gz QUDIYISPMHIWQV-GCJKJVERSA-N 1 1 409.530 3.578 40 0 HHABMO CCc1nc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)sc1C ZINC000019715495 558976557 /nfs/dbraw/zinc/97/65/57/558976557.db2.gz LPFSJHTVKWDVTO-AWEZNQCLSA-N 1 1 415.538 3.923 40 0 HHABMO CCc1nc(NC(=O)C[N@H+]2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)sc1C ZINC000019715495 558976559 /nfs/dbraw/zinc/97/65/59/558976559.db2.gz LPFSJHTVKWDVTO-AWEZNQCLSA-N 1 1 415.538 3.923 40 0 HHABMO Cc1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C)C1 ZINC000019715765 558977043 /nfs/dbraw/zinc/97/70/43/558977043.db2.gz ZQVSMLUCAVAKQL-KRWDZBQOSA-N 1 1 411.575 3.554 40 0 HHABMO O=C1C[C@]2(CN1Cc1ccccc1)COCC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585104701 559027107 /nfs/dbraw/zinc/02/71/07/559027107.db2.gz RIOAJAISDOYSHL-QFIPXVFZSA-N 1 1 418.459 3.957 40 0 HHABMO O=C1C[C@]2(CN1Cc1ccccc1)COCC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585104701 559027108 /nfs/dbraw/zinc/02/71/08/559027108.db2.gz RIOAJAISDOYSHL-QFIPXVFZSA-N 1 1 418.459 3.957 40 0 HHABMO O=C1C[C@@]2(CN1Cc1ccccc1)COCC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585104698 559027175 /nfs/dbraw/zinc/02/71/75/559027175.db2.gz RIOAJAISDOYSHL-JOCHJYFZSA-N 1 1 418.459 3.957 40 0 HHABMO O=C1C[C@@]2(CN1Cc1ccccc1)COCC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585104698 559027177 /nfs/dbraw/zinc/02/71/77/559027177.db2.gz RIOAJAISDOYSHL-JOCHJYFZSA-N 1 1 418.459 3.957 40 0 HHABMO C[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1 ZINC000585106616 559028922 /nfs/dbraw/zinc/02/89/22/559028922.db2.gz CUSRNJQWLODOGM-XMMPIXPASA-N 1 1 404.489 3.766 40 0 HHABMO C[N@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1 ZINC000585106616 559028923 /nfs/dbraw/zinc/02/89/23/559028923.db2.gz CUSRNJQWLODOGM-XMMPIXPASA-N 1 1 404.489 3.766 40 0 HHABMO C[N@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC000585106946 559029247 /nfs/dbraw/zinc/02/92/47/559029247.db2.gz LUWQZGIVBJAULU-VWLOTQADSA-N 1 1 418.516 3.695 40 0 HHABMO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](CCOc4cccc(F)c4)C[C@@H]32)no1 ZINC000585109512 559029376 /nfs/dbraw/zinc/02/93/76/559029376.db2.gz ALSWMRIIPLQRSZ-QNWVGRARSA-N 1 1 421.472 3.701 40 0 HHABMO COc1ccc(-c2ccc3c([C@H]4CN(C(=O)C5CC(F)C5)CCO4)[nH+]cn3c2)cc1 ZINC000585113143 559031014 /nfs/dbraw/zinc/03/10/14/559031014.db2.gz MKFXQHPKUOZTDK-WIXQSORDSA-N 1 1 409.461 3.658 40 0 HHABMO COCCn1c(C(=O)N2CC[NH+](C(C)C)CC2)cc2c1c1ccccc1n2C(C)C ZINC000096037335 559091165 /nfs/dbraw/zinc/09/11/65/559091165.db2.gz BXQDTULQZWVZHP-UHFFFAOYSA-N 1 1 410.562 3.990 40 0 HHABMO Cc1nccn1CCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585272744 559118196 /nfs/dbraw/zinc/11/81/96/559118196.db2.gz JHSAFSWGHOOBJK-RUZDIDTESA-N 1 1 421.541 3.676 40 0 HHABMO O=C(CCCOc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000108644264 559167957 /nfs/dbraw/zinc/16/79/57/559167957.db2.gz QZJAOGZMPMWWSE-UHFFFAOYSA-N 1 1 402.922 3.648 40 0 HHABMO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)c(=O)[nH]c2cc1C ZINC000000782530 559279201 /nfs/dbraw/zinc/27/92/01/559279201.db2.gz FRYGNHOFFMAIRG-FQEVSTJZSA-N 1 1 408.550 3.708 40 0 HHABMO COc1ccccc1-c1cccc(C[C@]2(C(=O)N[C@H]3CCC[N@@H+](C)C3)CCCO2)c1 ZINC000257262817 559284830 /nfs/dbraw/zinc/28/48/30/559284830.db2.gz LNBGYRWAOPEASZ-OFVILXPXSA-N 1 1 408.542 3.664 40 0 HHABMO COc1ccccc1-c1cccc(C[C@]2(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CCCO2)c1 ZINC000257262816 559284916 /nfs/dbraw/zinc/28/49/16/559284916.db2.gz LNBGYRWAOPEASZ-BWKNWUBXSA-N 1 1 408.542 3.664 40 0 HHABMO Cc1cc(C)n(Cc2ccc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2)n1 ZINC000149135771 560558836 /nfs/dbraw/zinc/55/88/36/560558836.db2.gz VHONDGJOXLLEIT-UHFFFAOYSA-N 1 1 402.542 3.726 40 0 HHABMO COc1cc(NC(=O)c2ccc(C)cc2)c(OC)cc1NC(=O)C[NH+]1CCCCC1 ZINC000004231854 560603100 /nfs/dbraw/zinc/60/31/00/560603100.db2.gz RNZPJAQJZWEKRA-UHFFFAOYSA-N 1 1 411.502 3.689 40 0 HHABMO O[C@@]1(c2ccc(F)cc2)CCC[N@H+](Cc2nc(-c3cccnc3Cl)no2)CC1 ZINC000013996439 560831827 /nfs/dbraw/zinc/83/18/27/560831827.db2.gz XHCBPFVKSRUQHG-FQEVSTJZSA-N 1 1 402.857 3.798 40 0 HHABMO O[C@@]1(c2ccc(F)cc2)CCC[N@@H+](Cc2nc(-c3cccnc3Cl)no2)CC1 ZINC000013996439 560831828 /nfs/dbraw/zinc/83/18/28/560831828.db2.gz XHCBPFVKSRUQHG-FQEVSTJZSA-N 1 1 402.857 3.798 40 0 HHABMO O=c1[nH]c2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@@H+](Cc1ccccc1)C3 ZINC000014162718 560839429 /nfs/dbraw/zinc/83/94/29/560839429.db2.gz KEMCVMYYVUDESK-UHFFFAOYSA-N 1 1 423.925 3.952 40 0 HHABMO O=c1[nH]c2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@H+](Cc1ccccc1)C3 ZINC000014162718 560839430 /nfs/dbraw/zinc/83/94/30/560839430.db2.gz KEMCVMYYVUDESK-UHFFFAOYSA-N 1 1 423.925 3.952 40 0 HHABMO CC(C)C[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020141141 560881592 /nfs/dbraw/zinc/88/15/92/560881592.db2.gz GOXFEUCCFPFBKC-QHCPKHFHSA-N 1 1 422.552 3.766 40 0 HHABMO COC(=O)C1CCN(C(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000219419289 568491528 /nfs/dbraw/zinc/49/15/28/568491528.db2.gz MKPXVRGHAPAUIT-UHFFFAOYSA-N 1 1 413.345 3.617 40 0 HHABMO C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224567405 568585588 /nfs/dbraw/zinc/58/55/88/568585588.db2.gz NRDFBMRZFZYQBZ-IBGZPJMESA-N 1 1 404.510 3.756 40 0 HHABMO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224739063 568594302 /nfs/dbraw/zinc/59/43/02/568594302.db2.gz BVSKFEMEWBTAEV-NRFANRHFSA-N 1 1 402.922 3.646 40 0 HHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000225299837 568628652 /nfs/dbraw/zinc/62/86/52/568628652.db2.gz SXKHQWFKPIRVSZ-UHFFFAOYSA-N 1 1 407.861 3.873 40 0 HHABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)CCCn2c3ccccc3nc2C(C)C)[C@H]1O ZINC000257223661 568783179 /nfs/dbraw/zinc/78/31/79/568783179.db2.gz DYJCRIFFJCNIEU-MQSCRBSSSA-N 1 1 423.561 3.668 40 0 HHABMO NC(=O)c1cccc(-c2cccc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)c1 ZINC000257230698 568785048 /nfs/dbraw/zinc/78/50/48/568785048.db2.gz GDLZEESWZDIWHP-VWLOTQADSA-N 1 1 424.504 3.969 40 0 HHABMO Cc1cc(Nc2ccccn2)cc(C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000257267762 568794940 /nfs/dbraw/zinc/79/49/40/568794940.db2.gz MIQUETRVFFUKII-UHFFFAOYSA-N 1 1 407.562 3.967 40 0 HHABMO C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000257305152 568806128 /nfs/dbraw/zinc/80/61/28/568806128.db2.gz SOQWWFOJSNLJBU-XMMPIXPASA-N 1 1 409.505 3.796 40 0 HHABMO COc1ccc(-c2cccc3nc([C@H]4C[N@H+](Cc5cccnc5)CCN4C)cn32)cc1 ZINC000306127955 568890806 /nfs/dbraw/zinc/89/08/06/568890806.db2.gz GLQQXSGQRNUAMO-XMMPIXPASA-N 1 1 413.525 3.894 40 0 HHABMO COc1ccc(-c2cccc3nc([C@H]4C[N@@H+](Cc5cccnc5)CCN4C)cn32)cc1 ZINC000306127955 568890807 /nfs/dbraw/zinc/89/08/07/568890807.db2.gz GLQQXSGQRNUAMO-XMMPIXPASA-N 1 1 413.525 3.894 40 0 HHABMO CC(C)n1cc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cn1 ZINC000306129505 568892007 /nfs/dbraw/zinc/89/20/07/568892007.db2.gz IFMHYCHXZFJFJT-NRFANRHFSA-N 1 1 401.518 3.948 40 0 HHABMO COc1ccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306131790 568894184 /nfs/dbraw/zinc/89/41/84/568894184.db2.gz KPTGHWJOPKTPSZ-WIOPSUGQSA-N 1 1 422.573 3.701 40 0 HHABMO COc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(-c4ccc(OC)cc4)cnc2CO3)cc1 ZINC000306134183 568896157 /nfs/dbraw/zinc/89/61/57/568896157.db2.gz NFHLWUGJROZSOP-DEOSSOPVSA-N 1 1 405.498 3.742 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccc(OC)cc4)C[C@H]32)cc1 ZINC000306135213 568897265 /nfs/dbraw/zinc/89/72/65/568897265.db2.gz OLCAVNMLPFVOLQ-DNQXCXABSA-N 1 1 417.509 3.587 40 0 HHABMO O=S1(=O)N(Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1cccnc1)CC2 ZINC000306140491 568902424 /nfs/dbraw/zinc/90/24/24/568902424.db2.gz UUWGIAUCCQAMER-UHFFFAOYSA-N 1 1 419.550 3.923 40 0 HHABMO COc1cccc(C[N@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306143898 568905059 /nfs/dbraw/zinc/90/50/59/568905059.db2.gz YQCVWYAJPQQNCV-DHLKQENFSA-N 1 1 422.573 3.701 40 0 HHABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306144079 568905437 /nfs/dbraw/zinc/90/54/37/568905437.db2.gz YVQJQAJXLGKXFQ-URXFXBBRSA-N 1 1 410.537 3.831 40 0 HHABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218635088 568942375 /nfs/dbraw/zinc/94/23/75/568942375.db2.gz FKLTWXJGNBZJDA-FGTMMUONSA-N 1 1 400.327 3.667 40 0 HHABMO CC(C)c1nc(N[C@@H](C)CO)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000328991054 568971549 /nfs/dbraw/zinc/97/15/49/568971549.db2.gz IRVFWNAGRNCHCL-ZDUSSCGKSA-N 1 1 410.440 3.854 40 0 HHABMO COc1cc2c(cc1OC)CN(c1cc(N[C@H](CO)C(C)C)nc(C(C)C)[nH+]1)CC2 ZINC000329023879 568973282 /nfs/dbraw/zinc/97/32/82/568973282.db2.gz OVUDABGGMAOSOO-GOSISDBHSA-N 1 1 414.550 3.609 40 0 HHABMO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000035075017 569027802 /nfs/dbraw/zinc/02/78/02/569027802.db2.gz QGLFZRGNXFHVJW-LYGMZBLVSA-N 1 1 400.607 3.787 40 0 HHABMO CCOC[C@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242575112 569034739 /nfs/dbraw/zinc/03/47/39/569034739.db2.gz NSMLIICRQZEJJM-KSZLIROESA-N 1 1 400.327 3.667 40 0 HHABMO Cc1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)sc2[nH]cnc(=O)c12 ZINC000257198916 569058908 /nfs/dbraw/zinc/05/89/08/569058908.db2.gz LPPMVEHGZWXTBA-ZMMAXQRCSA-N 1 1 424.570 3.741 40 0 HHABMO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1C ZINC000222459516 569284086 /nfs/dbraw/zinc/28/40/86/569284086.db2.gz RPBVJVPIQLTYSU-JLTOFOAXSA-N 1 1 408.550 3.708 40 0 HHABMO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1C ZINC000222459516 569284087 /nfs/dbraw/zinc/28/40/87/569284087.db2.gz RPBVJVPIQLTYSU-JLTOFOAXSA-N 1 1 408.550 3.708 40 0 HHABMO CC(=O)Nc1nc(C(=O)Nc2ccc(CC[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)cs1 ZINC000247975351 569315916 /nfs/dbraw/zinc/31/59/16/569315916.db2.gz ZTFICEHYFQIFFE-WMLDXEAASA-N 1 1 400.548 3.874 40 0 HHABMO CC(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)ccc21 ZINC000253601308 569318389 /nfs/dbraw/zinc/31/83/89/569318389.db2.gz OWRKYZZCMGGWSI-CLOONOSVSA-N 1 1 407.558 3.538 40 0 HHABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)cc(OC)c1OC ZINC000019549660 569345661 /nfs/dbraw/zinc/34/56/61/569345661.db2.gz TVBPJBMXYGMPJD-XKDCRVNJSA-N 1 1 401.478 3.581 40 0 HHABMO CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CC[N@@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000019739136 569348619 /nfs/dbraw/zinc/34/86/19/569348619.db2.gz MUXLQQOMFKUYFN-HSZRJFAPSA-N 1 1 411.502 3.734 40 0 HHABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3CCCc3ccccc3)n2)cn1 ZINC000049155166 291251516 /nfs/dbraw/zinc/25/15/16/291251516.db2.gz QMJVFFOEHQGXMV-FQEVSTJZSA-N 1 1 408.502 3.927 40 0 biogenic,in-vitro HHABMO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccncc3)no2)c2ccccc12 ZINC000015674422 291254965 /nfs/dbraw/zinc/25/49/65/291254965.db2.gz LKDXXFSTXKKRMQ-XLIONFOSSA-N 1 1 402.454 3.601 40 0 biogenic,in-vitro HHABMO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccncc3)no2)c2ccccc12 ZINC000015674422 291254968 /nfs/dbraw/zinc/25/49/68/291254968.db2.gz LKDXXFSTXKKRMQ-XLIONFOSSA-N 1 1 402.454 3.601 40 0 biogenic,in-vitro HHABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(F)c3)cc2Cl)CC1 ZINC000006026481 132308884 /nfs/dbraw/zinc/30/88/84/132308884.db2.gz WFRSTTKBHONCAL-UHFFFAOYSA-N 1 1 420.941 3.748 40 0 HHABMO C[NH+]1CCN(C(=S)c2cc(Br)ccc2OCc2ccccc2)CC1 ZINC000408578398 557472586 /nfs/dbraw/zinc/47/25/86/557472586.db2.gz YAORANTYANZEQR-UHFFFAOYSA-N 1 1 405.361 3.951 40 0 HHABMO Cc1cc(N2CCC[C@H](NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)nc(C)[nH+]1 ZINC000019749166 558268360 /nfs/dbraw/zinc/26/83/60/558268360.db2.gz XBEKUNLEELBFJC-HNNXBMFYSA-N 1 1 407.440 3.605 40 0 HHABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752966 558272189 /nfs/dbraw/zinc/27/21/89/558272189.db2.gz ZDMSGLDFWLLECL-HXUWFJFHSA-N 1 1 414.557 3.907 40 0 HHABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C(C)(C)C)cc4n3)C2)cc1 ZINC000012185779 558345227 /nfs/dbraw/zinc/34/52/27/558345227.db2.gz QGEBPGWUHATCBW-GOSISDBHSA-N 1 1 420.561 3.947 40 0 HHABMO COc1ccc(C[N@@H+](Cc2cc3c(cc2OC)OCO3)C[C@@H]2CCCO2)cc1OC ZINC000012187336 558346182 /nfs/dbraw/zinc/34/61/82/558346182.db2.gz NAIKTEAQMFBDEQ-SFHVURJKSA-N 1 1 415.486 3.622 40 0 HHABMO COc1ccc(C[N@H+](Cc2cc3c(cc2OC)OCO3)C[C@@H]2CCCO2)cc1OC ZINC000012187336 558346183 /nfs/dbraw/zinc/34/61/83/558346183.db2.gz NAIKTEAQMFBDEQ-SFHVURJKSA-N 1 1 415.486 3.622 40 0 HHABMO COc1cc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@@H]2C)OCO4)cc(OC)c1O ZINC000031861707 558753191 /nfs/dbraw/zinc/75/31/91/558753191.db2.gz MPDXBMJHDYBXLL-YQBXISBOSA-N 1 1 413.470 3.720 40 0 HHABMO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276322 558841970 /nfs/dbraw/zinc/84/19/70/558841970.db2.gz CCIUJYJSKYDVCU-INIZCTEOSA-N 1 1 404.963 3.969 40 0 HHABMO Cc1[nH+]ccn1[C@H](C)CC(=O)NCCn1ncc(-c2ccccn2)c1-c1cccs1 ZINC000019287640 558860976 /nfs/dbraw/zinc/86/09/76/558860976.db2.gz ITNGJZWXRLXVJH-MRXNPFEDSA-N 1 1 420.542 3.946 40 0 HHABMO O=C(NCc1cccnc1)c1cc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)no1 ZINC000019339677 558871162 /nfs/dbraw/zinc/87/11/62/558871162.db2.gz LQTUYGWJBQATNN-UHFFFAOYSA-N 1 1 412.440 3.657 40 0 HHABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019370380 558878661 /nfs/dbraw/zinc/87/86/61/558878661.db2.gz VWTYPWDKTDFTLR-RDGATRHJSA-N 1 1 400.526 3.789 40 0 HHABMO FC(F)(F)[C@H]1C[C@@H]([C@H]2CCC[N@@H+](CCCOc3ccccc3)C2)Nc2ncnn21 ZINC000019373507 558880521 /nfs/dbraw/zinc/88/05/21/558880521.db2.gz FPNAPBUBOKZYRK-RYQLBKOJSA-N 1 1 409.456 3.747 40 0 HHABMO CC(C)c1[nH+]ccn1CC(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019454408 558891320 /nfs/dbraw/zinc/89/13/20/558891320.db2.gz HWLZUNWQHQMKAN-HXUWFJFHSA-N 1 1 405.498 3.878 40 0 HHABMO CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019499844 558897777 /nfs/dbraw/zinc/89/77/77/558897777.db2.gz IGIJKYZXMNJXEO-OXQOHEQNSA-N 1 1 400.567 3.830 40 0 HHABMO CC[C@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019499821 558897867 /nfs/dbraw/zinc/89/78/67/558897867.db2.gz ADSQQGFMIKJEGU-JKSUJKDBSA-N 1 1 414.575 3.554 40 0 HHABMO CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019501424 558899499 /nfs/dbraw/zinc/89/94/99/558899499.db2.gz IJAXSOQSFPBBBV-HXUWFJFHSA-N 1 1 400.567 3.974 40 0 HHABMO CCCOc1cc2c(cc1C[N@@H+]1C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C1)OCO2 ZINC000019503842 558900777 /nfs/dbraw/zinc/90/07/77/558900777.db2.gz WJWHPVCCZRMHGK-YIGJPRQDSA-N 1 1 410.514 3.637 40 0 HHABMO CCn1nc(C)c(CCC(=O)N2CC[N@H+](Cc3ccccc3F)C[C@@H]2C(C)C)c1C ZINC000019523809 558905140 /nfs/dbraw/zinc/90/51/40/558905140.db2.gz OLFOHYHOORHYOH-HSZRJFAPSA-N 1 1 414.569 3.961 40 0 HHABMO CCn1nc(C)c(CCC(=O)N2CC[N@@H+](Cc3ccccc3F)C[C@@H]2C(C)C)c1C ZINC000019523809 558905141 /nfs/dbraw/zinc/90/51/41/558905141.db2.gz OLFOHYHOORHYOH-HSZRJFAPSA-N 1 1 414.569 3.961 40 0 HHABMO CCN1CC[N@@H+](Cc2ccccn2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527716 558909066 /nfs/dbraw/zinc/90/90/66/558909066.db2.gz KOSRZZFFKHLLOO-JOCHJYFZSA-N 1 1 400.526 3.667 40 0 HHABMO COc1cccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3ncccc3C)CC2)c1 ZINC000072340673 558939358 /nfs/dbraw/zinc/93/93/58/558939358.db2.gz YDIQRQIWUIPXEM-RUZDIDTESA-N 1 1 421.516 3.942 40 0 HHABMO COc1cccc(-c2cccc(C[C@H]3C[N@@H+](Cc4cccnc4)CCN(C)C3=O)c2)c1 ZINC000019589528 558940351 /nfs/dbraw/zinc/94/03/51/558940351.db2.gz KJMKAEMRRGUZGW-DEOSSOPVSA-N 1 1 415.537 3.890 40 0 HHABMO COCC[N@H+]1C[C@H](c2ccccc2)OC2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000019593391 558944334 /nfs/dbraw/zinc/94/43/34/558944334.db2.gz UGTHWAVUURTEBN-JOCHJYFZSA-N 1 1 412.505 3.520 40 0 HHABMO COCCCNc1nc(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000019593324 558944342 /nfs/dbraw/zinc/94/43/42/558944342.db2.gz PEGFBOJGFOEBBV-UHFFFAOYSA-N 1 1 419.529 3.554 40 0 HHABMO COCCCNc1nc(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000019593324 558944345 /nfs/dbraw/zinc/94/43/45/558944345.db2.gz PEGFBOJGFOEBBV-UHFFFAOYSA-N 1 1 419.529 3.554 40 0 HHABMO COCCOc1cccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1 ZINC000019593794 558944871 /nfs/dbraw/zinc/94/48/71/558944871.db2.gz VOPDTBQEGVUCEW-QFIPXVFZSA-N 1 1 420.513 3.997 40 0 HHABMO CC1CCN(C(=O)C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)CC1 ZINC000019687488 558957257 /nfs/dbraw/zinc/95/72/57/558957257.db2.gz VTITZABVTJNJLY-NRFANRHFSA-N 1 1 421.589 3.648 40 0 HHABMO C[N@H+]1CCC[C@H](c2cccc(CC3(C(=O)NCc4ccccn4)CCOCC3)c2)C1 ZINC000072372249 558959525 /nfs/dbraw/zinc/95/95/25/558959525.db2.gz BIKCJRINNKMJFJ-QFIPXVFZSA-N 1 1 407.558 3.547 40 0 HHABMO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cc(-c3cn[nH]c3)cc(C)n1)OCCO2 ZINC000019690833 558960226 /nfs/dbraw/zinc/96/02/26/558960226.db2.gz UZJZQXICWINEBK-FQEVSTJZSA-N 1 1 406.486 3.897 40 0 HHABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(NC(C)C)n[nH]c3n2)cc1 ZINC000072374499 558962103 /nfs/dbraw/zinc/96/21/03/558962103.db2.gz RGPVCQDCWWXTOT-IBGZPJMESA-N 1 1 408.506 3.562 40 0 HHABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(NC(C)C)n[nH]c3n2)cc1 ZINC000072374499 558962106 /nfs/dbraw/zinc/96/21/06/558962106.db2.gz RGPVCQDCWWXTOT-IBGZPJMESA-N 1 1 408.506 3.562 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cn1 ZINC000019694182 558962490 /nfs/dbraw/zinc/96/24/90/558962490.db2.gz RMAUSSNIWSGQKT-IBGZPJMESA-N 1 1 408.525 3.945 40 0 HHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 ZINC000072374837 558963029 /nfs/dbraw/zinc/96/30/29/558963029.db2.gz RHTYYLUQKBQPHZ-IBGZPJMESA-N 1 1 410.566 3.588 40 0 HHABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncc(C)s3)n2)cn1 ZINC000072375776 558964614 /nfs/dbraw/zinc/96/46/14/558964614.db2.gz SNOZXTDPUWMCJI-GOSISDBHSA-N 1 1 410.547 3.906 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ncc(C)s3)n2)cn1 ZINC000072375776 558964615 /nfs/dbraw/zinc/96/46/15/558964615.db2.gz SNOZXTDPUWMCJI-GOSISDBHSA-N 1 1 410.547 3.906 40 0 HHABMO Cc1nc(C[N@H+](C)CC2CC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698427 558965937 /nfs/dbraw/zinc/96/59/37/558965937.db2.gz DHBLTBGJLPBRME-UHFFFAOYSA-N 1 1 403.530 3.630 40 0 HHABMO Cc1nc(C[N@@H+](C)CC2CC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698427 558965939 /nfs/dbraw/zinc/96/59/39/558965939.db2.gz DHBLTBGJLPBRME-UHFFFAOYSA-N 1 1 403.530 3.630 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)C[N@H+](Cc2cccc(C)n2)CCO1 ZINC000072389040 558969425 /nfs/dbraw/zinc/96/94/25/558969425.db2.gz MTEYQTPKJRFNCH-AREMUKBSSA-N 1 1 415.537 3.617 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)C[N@@H+](Cc2cccc(C)n2)CCO1 ZINC000072389040 558969427 /nfs/dbraw/zinc/96/94/27/558969427.db2.gz MTEYQTPKJRFNCH-AREMUKBSSA-N 1 1 415.537 3.617 40 0 HHABMO CC(C)(C)C[N@H+]1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 ZINC000072389084 558969552 /nfs/dbraw/zinc/96/95/52/558969552.db2.gz CMJRTWGVGPYGGG-RUZDIDTESA-N 1 1 407.558 3.687 40 0 HHABMO COc1cccc(OC)c1C(=O)N1CCCC[C@H]2C[N@@H+](Cc3ccncc3C)C[C@H]21 ZINC000072398828 558976476 /nfs/dbraw/zinc/97/64/76/558976476.db2.gz RCPJRWOEEOBVNX-VQTJNVASSA-N 1 1 409.530 3.534 40 0 HHABMO CCN1CC[NH+](CCC(=O)NCC2(c3ccc(-c4ccccc4OC)cc3)CC2)CC1 ZINC000585169109 559067865 /nfs/dbraw/zinc/06/78/65/559067865.db2.gz OQLYBHCOCCBKOT-UHFFFAOYSA-N 1 1 421.585 3.538 40 0 HHABMO CC[C@@H](C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O ZINC000253396786 559072977 /nfs/dbraw/zinc/07/29/77/559072977.db2.gz BGJGYRYEEYYBGW-IYSOMAHNSA-N 1 1 411.590 3.780 40 0 HHABMO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1ccc(OC)cc1)CCC2 ZINC000096056034 559093720 /nfs/dbraw/zinc/09/37/20/559093720.db2.gz DBQUOIRAXIHRQC-URXFXBBRSA-N 1 1 412.530 3.566 40 0 HHABMO CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1CN(Cc1ccc(OC)cc1)CCC2 ZINC000096056034 559093721 /nfs/dbraw/zinc/09/37/21/559093721.db2.gz DBQUOIRAXIHRQC-URXFXBBRSA-N 1 1 412.530 3.566 40 0 HHABMO CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1CN(Cc1ccc(OC)cc1)CCC2 ZINC000096056034 559093722 /nfs/dbraw/zinc/09/37/22/559093722.db2.gz DBQUOIRAXIHRQC-URXFXBBRSA-N 1 1 412.530 3.566 40 0 HHABMO O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCCn3cccn3)c2)C1 ZINC000585272882 559117120 /nfs/dbraw/zinc/11/71/20/559117120.db2.gz KDXYGZVSLGMWDX-VWLOTQADSA-N 1 1 421.541 3.758 40 0 HHABMO COC(=O)[C@@H](NC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)c1ccccc1 ZINC000098063890 559126417 /nfs/dbraw/zinc/12/64/17/559126417.db2.gz AWTTZWCCGXRIMO-BVAFDOMYSA-N 1 1 423.557 3.505 40 0 HHABMO O=C(CN1CCCC1)Nc1ccc(Oc2ccc(NC(=O)C[NH+]3CCCC3)cc2)cc1 ZINC000000811933 559281030 /nfs/dbraw/zinc/28/10/30/559281030.db2.gz TYFPXMFXJNYUAA-UHFFFAOYSA-N 1 1 422.529 3.548 40 0 HHABMO COc1cccc(-c2cccc(CC3(C(=O)N[C@@H]4CCC[N@@H+](C)C4)CCOCC3)c2)c1 ZINC000257252095 559284565 /nfs/dbraw/zinc/28/45/65/559284565.db2.gz JTOBWSBVOUIJRU-HSZRJFAPSA-N 1 1 422.569 3.912 40 0 HHABMO COc1cccc(OCCc2cc([C@@H]3C[N@H+](CCc4ccccc4)CCO3)nn2C)c1 ZINC000257280062 559285354 /nfs/dbraw/zinc/28/53/54/559285354.db2.gz OJHFMENTRAOGSM-VWLOTQADSA-N 1 1 421.541 3.666 40 0 HHABMO COc1cccc(OCCc2cc([C@@H]3C[N@@H+](CCc4ccccc4)CCO3)nn2C)c1 ZINC000257280062 559285356 /nfs/dbraw/zinc/28/53/56/559285356.db2.gz OJHFMENTRAOGSM-VWLOTQADSA-N 1 1 421.541 3.666 40 0 HHABMO CN(C)c1ccc(NC(=O)C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)cc1 ZINC000004858535 560612263 /nfs/dbraw/zinc/61/22/63/560612263.db2.gz KWDSFRAWCISROF-BRTIRZTQSA-N 1 1 420.557 3.507 40 0 HHABMO CN(C)c1ccc(NC(=O)C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)cc1 ZINC000004858535 560612264 /nfs/dbraw/zinc/61/22/64/560612264.db2.gz KWDSFRAWCISROF-BRTIRZTQSA-N 1 1 420.557 3.507 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020140129 560881334 /nfs/dbraw/zinc/88/13/34/560881334.db2.gz MVHKBOAEFMNUKS-QFIPXVFZSA-N 1 1 422.552 3.865 40 0 HHABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2Cl)CC1 ZINC000020608879 568457615 /nfs/dbraw/zinc/45/76/15/568457615.db2.gz ZHHIZBHNRHUTAB-UHFFFAOYSA-N 1 1 403.910 3.751 40 0 HHABMO Cc1cccc(-c2noc(CNC(=O)[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000222599529 568520004 /nfs/dbraw/zinc/52/00/04/568520004.db2.gz ZAQNYSTUALQUMO-IBGZPJMESA-N 1 1 408.477 3.713 40 0 HHABMO COc1ccc(C)cc1S(=O)(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222983027 568533115 /nfs/dbraw/zinc/53/31/15/568533115.db2.gz KQDKGECNJZQFLJ-UHFFFAOYSA-N 1 1 419.934 3.986 40 0 HHABMO COc1cccc(OCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000224549653 568584736 /nfs/dbraw/zinc/58/47/36/568584736.db2.gz SOHIJGADNAYDNQ-UHFFFAOYSA-N 1 1 420.912 3.895 40 0 HHABMO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224733848 568594059 /nfs/dbraw/zinc/59/40/59/568594059.db2.gz ZLIBBYLLNCQLHZ-LJQANCHMSA-N 1 1 404.510 3.756 40 0 HHABMO C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224733956 568594090 /nfs/dbraw/zinc/59/40/90/568594090.db2.gz XAMRQMBNKSUVNX-LJQANCHMSA-N 1 1 404.510 3.756 40 0 HHABMO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224733894 568594104 /nfs/dbraw/zinc/59/41/04/568594104.db2.gz ZLIBBYLLNCQLHZ-IBGZPJMESA-N 1 1 404.510 3.756 40 0 HHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(I)c1 ZINC000224964588 568606446 /nfs/dbraw/zinc/60/64/46/568606446.db2.gz LSCNZJWJSTVQML-MRXNPFEDSA-N 1 1 400.304 3.676 40 0 HHABMO O=C(NC[C@@H]1COc2ccccc2O1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000225270013 568626949 /nfs/dbraw/zinc/62/69/49/568626949.db2.gz MYIFQFFJVPYFPR-MRXNPFEDSA-N 1 1 418.896 3.647 40 0 HHABMO O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000225695931 568665368 /nfs/dbraw/zinc/66/53/68/568665368.db2.gz ZTJABCVKLRSNRQ-NRFANRHFSA-N 1 1 410.533 3.902 40 0 HHABMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2OC)o1 ZINC000257223759 568783214 /nfs/dbraw/zinc/78/32/14/568783214.db2.gz DYRWTZHTWUDLPP-IBGZPJMESA-N 1 1 408.502 3.787 40 0 HHABMO Cc1cc(N2CCO[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)nc(C)[nH+]1 ZINC000257242107 568788023 /nfs/dbraw/zinc/78/80/23/568788023.db2.gz IBDPZPXAOMHYFS-FQEVSTJZSA-N 1 1 413.909 3.669 40 0 HHABMO COc1cccc(Nc2cc(C)nc([C@@H]3CC[N@H+](C4CCN(C(C)=O)CC4)C3)c2)c1 ZINC000257335213 568814929 /nfs/dbraw/zinc/81/49/29/568814929.db2.gz YJDQAUKKLOJRSY-LJQANCHMSA-N 1 1 408.546 3.942 40 0 HHABMO CN(C)C(=O)c1sc2nc([C@]3(C)CCC[N@@H+](Cc4ccccn4)C3)ccc2c1N ZINC000257341614 568816584 /nfs/dbraw/zinc/81/65/84/568816584.db2.gz ZLBQIRTZCRAIGG-JOCHJYFZSA-N 1 1 409.559 3.529 40 0 HHABMO COc1ncccc1C[N@H+]1CCC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306124398 568887426 /nfs/dbraw/zinc/88/74/26/568887426.db2.gz BOOGIPSOMOCOHP-IBGZPJMESA-N 1 1 400.486 3.575 40 0 HHABMO c1csc(-c2cccc(C[N@H+]3CC[C@]4(C3)COCc3cnc(NC5CC5)nc34)n2)c1 ZINC000306130277 568892772 /nfs/dbraw/zinc/89/27/72/568892772.db2.gz JAXVLWAUCRNTEW-QHCPKHFHSA-N 1 1 419.554 3.848 40 0 HHABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccccc3F)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306131376 568893726 /nfs/dbraw/zinc/89/37/26/568893726.db2.gz KCUFCLVHQPOPAK-YKSBVNFPSA-N 1 1 410.537 3.831 40 0 HHABMO COc1ccc(-c2cccc3nc([C@@H]4C[N@H+](Cc5ccncc5)CCN4C)cn32)cc1 ZINC000306142740 568904466 /nfs/dbraw/zinc/90/44/66/568904466.db2.gz XIBTVSGFBQDNAF-DEOSSOPVSA-N 1 1 413.525 3.894 40 0 HHABMO COc1ccc(-c2cccc3nc([C@@H]4C[N@@H+](Cc5ccncc5)CCN4C)cn32)cc1 ZINC000306142740 568904468 /nfs/dbraw/zinc/90/44/68/568904468.db2.gz XIBTVSGFBQDNAF-DEOSSOPVSA-N 1 1 413.525 3.894 40 0 HHABMO CCc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cc1 ZINC000306142870 568904588 /nfs/dbraw/zinc/90/45/88/568904588.db2.gz XMZVYXFSBSRKJH-OALUTQOASA-N 1 1 419.504 3.536 40 0 HHABMO Cc1cc(C)cc(C[N@@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306143835 568905197 /nfs/dbraw/zinc/90/51/97/568905197.db2.gz YNTUYJORKKYCFO-DEOSSOPVSA-N 1 1 412.541 3.897 40 0 HHABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306144078 568905295 /nfs/dbraw/zinc/90/52/95/568905295.db2.gz YVQJQAJXLGKXFQ-QPPBQGQZSA-N 1 1 410.537 3.831 40 0 HHABMO Cc1nc(N[C@H](CO)C(C)C)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000329013998 568972525 /nfs/dbraw/zinc/97/25/25/568972525.db2.gz MTIKVFJBWDRHDD-QGZVFWFLSA-N 1 1 410.440 3.675 40 0 HHABMO CC(C)c1nc(NCCCO)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329053213 568974777 /nfs/dbraw/zinc/97/47/77/568974777.db2.gz VERGSCFELOEHPL-UHFFFAOYSA-N 1 1 405.340 3.720 40 0 HHABMO C[NH+]1CCN(c2cc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)ccn2)CC1 ZINC000035316937 569052272 /nfs/dbraw/zinc/05/22/72/569052272.db2.gz CXTUIAGMTXUCJZ-UHFFFAOYSA-N 1 1 420.488 3.804 40 0 HHABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000229890488 569287083 /nfs/dbraw/zinc/28/70/83/569287083.db2.gz GWNWGVGASQSWEC-JLTOFOAXSA-N 1 1 408.550 3.708 40 0 HHABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000229890488 569287085 /nfs/dbraw/zinc/28/70/85/569287085.db2.gz GWNWGVGASQSWEC-JLTOFOAXSA-N 1 1 408.550 3.708 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)[C@H]1CCCO1 ZINC000247470280 569315386 /nfs/dbraw/zinc/31/53/86/569315386.db2.gz FCJWSRJSGDQLJE-ZNLUXHQJSA-N 1 1 415.484 3.608 40 0 HHABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)CC1 ZINC000006953543 569335656 /nfs/dbraw/zinc/33/56/56/569335656.db2.gz XBGTZZFCXDDKRV-UHFFFAOYSA-N 1 1 411.571 3.634 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)c1 ZINC000012157772 569344666 /nfs/dbraw/zinc/34/46/66/569344666.db2.gz DZBKPGVPPVYZQS-WIYYLYMNSA-N 1 1 422.554 3.930 40 0 HHABMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000012184541 569344709 /nfs/dbraw/zinc/34/47/09/569344709.db2.gz AEZABRKWADYWMI-HLLBOEOZSA-N 1 1 405.926 3.674 40 0 HHABMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000012184541 569344710 /nfs/dbraw/zinc/34/47/10/569344710.db2.gz AEZABRKWADYWMI-HLLBOEOZSA-N 1 1 405.926 3.674 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000019348961 569345451 /nfs/dbraw/zinc/34/54/51/569345451.db2.gz ZZRRMPGGAFROFJ-AUSIDOKSSA-N 1 1 404.489 3.999 40 0 HHABMO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)C2CCCCC2)n1 ZINC000019697385 569346863 /nfs/dbraw/zinc/34/68/63/569346863.db2.gz MXFWJFGIGBSMOS-IBGZPJMESA-N 1 1 407.562 3.799 40 0 HHABMO O=C1N(Cc2ccccc2)C[C@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)CCN12 ZINC000096269108 291259952 /nfs/dbraw/zinc/25/99/52/291259952.db2.gz VIRFTEXDLUMNQW-GOSISDBHSA-N 1 1 405.420 3.707 40 0 biogenic,in-vitro HHABMO O=C1N(Cc2ccccc2)C[C@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)CCN12 ZINC000096269108 291259953 /nfs/dbraw/zinc/25/99/53/291259953.db2.gz VIRFTEXDLUMNQW-GOSISDBHSA-N 1 1 405.420 3.707 40 0 biogenic,in-vitro HHABMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1cccc(F)c1 ZINC000001441685 557264583 /nfs/dbraw/zinc/26/45/83/557264583.db2.gz VSJWSYNIZXZLCC-GOSISDBHSA-N 1 1 409.486 3.947 40 0 HHABMO COc1cc(NC(=O)c2ccccc2F)c(OC)cc1NC(=O)C[NH+]1CCCCC1 ZINC000004231839 557530672 /nfs/dbraw/zinc/53/06/72/557530672.db2.gz FBFXKSNSAZWILX-UHFFFAOYSA-N 1 1 415.465 3.520 40 0 HHABMO COc1ccc(CC[N@@H+](C)C[C@@H](O)COCC2=CC[C@@H]3C[C@H]2C3(C)C)cc1OC ZINC000035262655 557657599 /nfs/dbraw/zinc/65/75/99/557657599.db2.gz MKHWKJZDCVYFJF-NJDAHSKKSA-N 1 1 403.563 3.548 40 0 HHABMO COc1cccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@@H+](CC5CC5)C4)nc32)c1 ZINC000019741423 558262051 /nfs/dbraw/zinc/26/20/51/558262051.db2.gz LQRHSMRMYMAHJW-FQEVSTJZSA-N 1 1 420.557 3.862 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cc1 ZINC000019741477 558262055 /nfs/dbraw/zinc/26/20/55/558262055.db2.gz ARAYZCKCSXBHNE-HXUWFJFHSA-N 1 1 420.557 3.862 40 0 HHABMO Cc1cc(N2CCO[C@@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)nc(C)[nH+]1 ZINC000019759400 558275950 /nfs/dbraw/zinc/27/59/50/558275950.db2.gz RHYXWPWWWVGZIP-JOCHJYFZSA-N 1 1 419.529 3.605 40 0 HHABMO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@@H+](CC(C)(C)C)C3)nc2C)c1 ZINC000019763426 558277430 /nfs/dbraw/zinc/27/74/30/558277430.db2.gz LVJMJOWVIONDIU-LJQANCHMSA-N 1 1 410.562 3.949 40 0 HHABMO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cnn(-c3ccc(C)cc3)c2)CC1 ZINC000012344558 558386562 /nfs/dbraw/zinc/38/65/62/558386562.db2.gz SMVZCLGWBQEIEU-UHFFFAOYSA-N 1 1 406.505 3.947 40 0 HHABMO COc1cc(C[NH+]2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c(Cl)cc1O ZINC000012344434 558386634 /nfs/dbraw/zinc/38/66/34/558386634.db2.gz JDLPFTNURBQXDT-UHFFFAOYSA-N 1 1 406.885 3.821 40 0 HHABMO CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2OC)C1 ZINC000012365819 558388149 /nfs/dbraw/zinc/38/81/49/558388149.db2.gz ITGGQNYEZHBJLS-DNVCBOLYSA-N 1 1 403.548 3.640 40 0 HHABMO COc1ccc(OC)c([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2ccco2)c1 ZINC000036743736 558802487 /nfs/dbraw/zinc/80/24/87/558802487.db2.gz KVJXGLXPACOOIO-LEWJYISDSA-N 1 1 406.482 3.695 40 0 HHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc2)C1 ZINC000038831713 558816827 /nfs/dbraw/zinc/81/68/27/558816827.db2.gz JNWJXDMZEQBVJP-OAQYLSRUSA-N 1 1 421.585 3.681 40 0 HHABMO O=C(C1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014677 558836761 /nfs/dbraw/zinc/83/67/61/558836761.db2.gz IDCANCLTPTXLHW-SFHVURJKSA-N 1 1 412.578 3.769 40 0 HHABMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)[nH]c3=O)ccc21 ZINC000019084410 558840864 /nfs/dbraw/zinc/84/08/64/558840864.db2.gz DFCOMMSBMSFKMM-UHFFFAOYSA-N 1 1 421.545 3.797 40 0 HHABMO Cc1ccc(-c2ccccc2C[C@H]2C[N@@H+](Cc3cnc(C)nc3)CCNC2=O)c(C)c1 ZINC000019132893 558845856 /nfs/dbraw/zinc/84/58/56/558845856.db2.gz LHJYFYXBFURBAX-QHCPKHFHSA-N 1 1 414.553 3.860 40 0 HHABMO COc1cccc([C@@H]2C[N@@H+](Cc3nc4ccccc4n3C)C[C@]23CCCCC(=O)N3)c1 ZINC000019289955 558862343 /nfs/dbraw/zinc/86/23/43/558862343.db2.gz OVCJBIKRXUXHII-NBGIEHNGSA-N 1 1 418.541 3.610 40 0 HHABMO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccccc1OCc1cccnc1)C2 ZINC000019291417 558863922 /nfs/dbraw/zinc/86/39/22/558863922.db2.gz RJHGTXJRLJEKCM-OFFJZUQKSA-N 1 1 418.541 3.514 40 0 HHABMO Fc1cccc(Nc2nc(-c3ccncc3)nc3c2C[N@@H+](C[C@@H]2CCOC2)CC3)c1 ZINC000019294020 558865672 /nfs/dbraw/zinc/86/56/72/558865672.db2.gz GEXGWXZQMAYABJ-INIZCTEOSA-N 1 1 405.477 3.816 40 0 HHABMO CCCSc1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 ZINC000019525211 558906513 /nfs/dbraw/zinc/90/65/13/558906513.db2.gz WCGFWQJEJMEXRF-KRWDZBQOSA-N 1 1 422.558 3.504 40 0 HHABMO CCN1CC[N@@H+](Cc2ccccn2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527717 558908933 /nfs/dbraw/zinc/90/89/33/558908933.db2.gz KOSRZZFFKHLLOO-QFIPXVFZSA-N 1 1 400.526 3.667 40 0 HHABMO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019529172 558910797 /nfs/dbraw/zinc/91/07/97/558910797.db2.gz PRKNGJUCDIYREH-RUZDIDTESA-N 1 1 400.526 3.715 40 0 HHABMO COc1cc2c(cc1C[N@H+]1C[C@@H](c3cccnc3)[C@]3(C1)CCCCC(=O)N3)CCCC2 ZINC000019550621 558915221 /nfs/dbraw/zinc/91/52/21/558915221.db2.gz LQNWQXKESHMPPZ-JYFHCDHNSA-N 1 1 419.569 3.997 40 0 HHABMO COc1ccccc1C[N@H+]1CC[C@@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 ZINC000019570022 558928987 /nfs/dbraw/zinc/92/89/87/558928987.db2.gz HCQJXMHRFXTDBK-VWLOTQADSA-N 1 1 401.510 3.677 40 0 HHABMO Cc1c(C)n(C2CCCC2)c2ncnc(OC3CC[NH+](CC(=O)NC(C)C)CC3)c12 ZINC000072336027 558937209 /nfs/dbraw/zinc/93/72/09/558937209.db2.gz NYZKXZNAEVJCMJ-UHFFFAOYSA-N 1 1 413.566 3.531 40 0 HHABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000072345937 558942515 /nfs/dbraw/zinc/94/25/15/558942515.db2.gz JMCKIXWWORJAHZ-INIZCTEOSA-N 1 1 423.467 3.822 40 0 HHABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000072345937 558942516 /nfs/dbraw/zinc/94/25/16/558942516.db2.gz JMCKIXWWORJAHZ-INIZCTEOSA-N 1 1 423.467 3.822 40 0 HHABMO CC(C)c1ncc(C[N@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)NCCO)C2)cn1 ZINC000072352293 558948507 /nfs/dbraw/zinc/94/85/07/558948507.db2.gz RNSSOWJLRSKNLS-QGZVFWFLSA-N 1 1 424.570 3.526 40 0 HHABMO COc1cc(C)ccc1C[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)NCCO)C1 ZINC000072352274 558948544 /nfs/dbraw/zinc/94/85/44/558948544.db2.gz RBPNYYWIGWMTDD-SFHVURJKSA-N 1 1 424.566 3.930 40 0 HHABMO O=C(C[N@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)NCCc1c[nH]c2ccccc12 ZINC000019656871 558949422 /nfs/dbraw/zinc/94/94/22/558949422.db2.gz UQGUFZSIBXHBOR-SFHVURJKSA-N 1 1 415.541 3.658 40 0 HHABMO Cc1nccn1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000019658111 558949979 /nfs/dbraw/zinc/94/99/79/558949979.db2.gz AEKPHHNYPVFFGY-LJQANCHMSA-N 1 1 405.502 3.730 40 0 HHABMO O=C(C[N@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)Nc1ccccc1-n1ccnc1 ZINC000019658484 558950399 /nfs/dbraw/zinc/95/03/99/558950399.db2.gz CCKBUXMRQZCPAY-SFHVURJKSA-N 1 1 414.513 3.642 40 0 HHABMO COc1ccccc1Cc1cc(C)nc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072353815 558950861 /nfs/dbraw/zinc/95/08/61/558950861.db2.gz OOJNBWWDDUBPHI-QFIPXVFZSA-N 1 1 407.558 3.791 40 0 HHABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000072354656 558951791 /nfs/dbraw/zinc/95/17/91/558951791.db2.gz XWTZEPTVUVKBRM-IBGZPJMESA-N 1 1 407.905 3.815 40 0 HHABMO CC(=O)n1cc(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)c2ccccc21 ZINC000072361017 558955767 /nfs/dbraw/zinc/95/57/67/558955767.db2.gz VJAYFFIJKIDZRP-OAHLLOKOSA-N 1 1 418.522 4.000 40 0 HHABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1ncc[nH]1 ZINC000072370423 558956797 /nfs/dbraw/zinc/95/67/97/558956797.db2.gz NGCHLIUTRHCBJL-INIZCTEOSA-N 1 1 412.559 3.598 40 0 HHABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1ncc[nH]1 ZINC000072370423 558956799 /nfs/dbraw/zinc/95/67/99/558956799.db2.gz NGCHLIUTRHCBJL-INIZCTEOSA-N 1 1 412.559 3.598 40 0 HHABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@H+]1Cc1cccnc1N(C)C ZINC000072370314 558956863 /nfs/dbraw/zinc/95/68/63/558956863.db2.gz ZKXNQXKSIKYVLJ-QGZVFWFLSA-N 1 1 408.571 3.929 40 0 HHABMO CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc(Nc2nc(C)cs2)cc(C)[nH+]1 ZINC000072372534 558960155 /nfs/dbraw/zinc/96/01/55/558960155.db2.gz OACLBKARTRAUSN-QGZVFWFLSA-N 1 1 409.581 3.622 40 0 HHABMO COc1cccc(C[N@@H+]2CCO[C@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)c1 ZINC000072389031 558969401 /nfs/dbraw/zinc/96/94/01/558969401.db2.gz PHXLXVGAGPJTNA-SANMLTNESA-N 1 1 416.521 3.661 40 0 HHABMO COc1cccc(C[N@H+]2CCO[C@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)c1 ZINC000072389031 558969402 /nfs/dbraw/zinc/96/94/02/558969402.db2.gz PHXLXVGAGPJTNA-SANMLTNESA-N 1 1 416.521 3.661 40 0 HHABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)cc1OC ZINC000072393083 558972771 /nfs/dbraw/zinc/97/27/71/558972771.db2.gz OYWOELBBDPNZCE-LJQANCHMSA-N 1 1 420.513 3.619 40 0 HHABMO Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCC[N@@H+](Cc4cccnc4)C3)on2)cc1 ZINC000072395953 558975043 /nfs/dbraw/zinc/97/50/43/558975043.db2.gz FJZLDUUKIFTLPO-VWLOTQADSA-N 1 1 418.541 3.958 40 0 HHABMO CN(C)c1ccc(C(=O)N2CCC[C@]3(CC[N@H+]3C[C@H]3CCCO3)C2)c2ccccc21 ZINC000585101943 559025115 /nfs/dbraw/zinc/02/51/15/559025115.db2.gz NBHQEGVWMSRCNP-CLOONOSVSA-N 1 1 407.558 3.765 40 0 HHABMO O=C(Cc1ccccc1)N1CCC2(C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000585113443 559031253 /nfs/dbraw/zinc/03/12/53/559031253.db2.gz HZBBVSFZDAXYDG-SANMLTNESA-N 1 1 404.554 3.760 40 0 HHABMO CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2c(C)noc2C)C3)cc1 ZINC000096216054 559101918 /nfs/dbraw/zinc/10/19/18/559101918.db2.gz DMPLMIWQRQXVBH-QFIPXVFZSA-N 1 1 417.575 3.531 40 0 HHABMO CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2c(C)noc2C)C3)cc1 ZINC000096216054 559101920 /nfs/dbraw/zinc/10/19/20/559101920.db2.gz DMPLMIWQRQXVBH-QFIPXVFZSA-N 1 1 417.575 3.531 40 0 HHABMO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000096245601 559105175 /nfs/dbraw/zinc/10/51/75/559105175.db2.gz XURVPRVMHGUASP-SZPZYZBQSA-N 1 1 404.558 3.747 40 0 HHABMO COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)cc1 ZINC000585262496 559111002 /nfs/dbraw/zinc/11/10/02/559111002.db2.gz GQAFRSVQNJLYOZ-NRFANRHFSA-N 1 1 408.498 3.541 40 0 HHABMO CC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282368 559119987 /nfs/dbraw/zinc/11/99/87/559119987.db2.gz IJMLLWQHDZRLPH-XMMPIXPASA-N 1 1 402.579 3.546 40 0 HHABMO CC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585287218 559122184 /nfs/dbraw/zinc/12/21/84/559122184.db2.gz LBANCGBQMQQYJQ-DEOSSOPVSA-N 1 1 402.579 3.546 40 0 HHABMO CC(=O)N1CC[N@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585287872 559123146 /nfs/dbraw/zinc/12/31/46/559123146.db2.gz UELUQDVYKZBEHR-TZBSWOFLSA-N 1 1 416.606 3.874 40 0 HHABMO [NH3+][C@@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)s1 ZINC000072227282 559170202 /nfs/dbraw/zinc/17/02/02/559170202.db2.gz KBTGOGISGUYLEB-NWDGAFQWSA-N 1 1 402.111 3.688 40 0 HHABMO O=C(Cc1ccc(F)cc1)N1CC[N@@H+](Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072353558 559185730 /nfs/dbraw/zinc/18/57/30/559185730.db2.gz WSZNGJWYPIGWKY-QHCPKHFHSA-N 1 1 417.528 3.967 40 0 HHABMO COc1ccccc1-c1cccc(C[C@@]2(C(=O)N[C@H]3CCC[N@@H+](C)C3)CCCO2)c1 ZINC000257262819 559284910 /nfs/dbraw/zinc/28/49/10/559284910.db2.gz LNBGYRWAOPEASZ-SQJMNOBHSA-N 1 1 408.542 3.664 40 0 HHABMO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@@H+](C3CCC(F)(F)CC3)C[C@H]21 ZINC000514289236 560033107 /nfs/dbraw/zinc/03/31/07/560033107.db2.gz GNIPNDDFRALIAC-CTNGQTDRSA-N 1 1 413.468 3.844 40 0 biogenic,in-vitro HHABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3cccnc3)cc2)CC1 ZINC000408862233 560648108 /nfs/dbraw/zinc/64/81/08/560648108.db2.gz GKKGEVRFIJECGP-UHFFFAOYSA-N 1 1 402.498 3.665 40 0 HHABMO CCC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000017090938 560865682 /nfs/dbraw/zinc/86/56/82/560865682.db2.gz XKRDIZFGRQFBMW-UHFFFAOYSA-N 1 1 416.978 3.885 40 0 HHABMO COc1ccc(S(=O)(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222990386 568533473 /nfs/dbraw/zinc/53/34/73/568533473.db2.gz IEBZJYGEACTOSM-UHFFFAOYSA-N 1 1 405.907 3.677 40 0 HHABMO Cc1cc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc(C)c1Cl ZINC000224729422 568593700 /nfs/dbraw/zinc/59/37/00/568593700.db2.gz KCQNWFVBNDPZPA-SFHVURJKSA-N 1 1 416.949 3.873 40 0 HHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C)cc1I ZINC000225025714 568609840 /nfs/dbraw/zinc/60/98/40/568609840.db2.gz QUXMOXBMULDLNN-HNNXBMFYSA-N 1 1 414.331 3.984 40 0 HHABMO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(OC)c(OCC)c3)[nH]2)cc1OCC ZINC000095534489 568635886 /nfs/dbraw/zinc/63/58/86/568635886.db2.gz QCLUDPVOOYEONQ-FQEVSTJZSA-N 1 1 412.490 3.725 40 0 HHABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000225458174 568639997 /nfs/dbraw/zinc/63/99/97/568639997.db2.gz MTLCHBMSMGYAAL-UHFFFAOYSA-N 1 1 405.527 3.794 40 0 HHABMO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCCCCC1 ZINC000225711520 568666854 /nfs/dbraw/zinc/66/68/54/568666854.db2.gz MALULXBJNOWJIL-UHFFFAOYSA-N 1 1 404.551 3.856 40 0 HHABMO Cc1cccnc1Nc1cncc(C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000257201152 568776336 /nfs/dbraw/zinc/77/63/36/568776336.db2.gz AGNOLXWCGMRWRX-UHFFFAOYSA-N 1 1 420.492 3.881 40 0 HHABMO CNC(=O)c1sc2nc([C@H]3CCC[N@@H+]3Cc3cc(F)cc(F)c3)ccc2c1N ZINC000257309252 568807366 /nfs/dbraw/zinc/80/73/66/568807366.db2.gz UAFRXRCNZYVTTO-MRXNPFEDSA-N 1 1 402.470 3.853 40 0 HHABMO CNC(=O)c1sc2nc([C@H]3CCC[N@H+]3Cc3cc(F)cc(F)c3)ccc2c1N ZINC000257309252 568807367 /nfs/dbraw/zinc/80/73/67/568807367.db2.gz UAFRXRCNZYVTTO-MRXNPFEDSA-N 1 1 402.470 3.853 40 0 HHABMO O=C(C[N@@H+]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CCCC1 ZINC000257319880 568810495 /nfs/dbraw/zinc/81/04/95/568810495.db2.gz VUKUTJUCYXUGMI-AWEZNQCLSA-N 1 1 408.424 3.604 40 0 HHABMO O=C(C[N@@H+]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CCCC1 ZINC000257319881 568810519 /nfs/dbraw/zinc/81/05/19/568810519.db2.gz VUKUTJUCYXUGMI-CQSZACIVSA-N 1 1 408.424 3.604 40 0 HHABMO COc1ccc(C[N@@H+]2Cc3c(nc(C)n3C(C)C)C3(CCN(C(C)=O)CC3)C2)cc1 ZINC000306124127 568887012 /nfs/dbraw/zinc/88/70/12/568887012.db2.gz BGTUPSOIYQUVES-UHFFFAOYSA-N 1 1 410.562 3.677 40 0 HHABMO COc1ccc(C[N@H+]2Cc3c(nc(C)n3C(C)C)C3(CCN(C(C)=O)CC3)C2)cc1 ZINC000306124127 568887014 /nfs/dbraw/zinc/88/70/14/568887014.db2.gz BGTUPSOIYQUVES-UHFFFAOYSA-N 1 1 410.562 3.677 40 0 HHABMO O=C1N(Cc2ccccc2)CCO[C@]12C[N@@H+](Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306131328 568893529 /nfs/dbraw/zinc/89/35/29/568893529.db2.gz KCAHHJJLPOIXNZ-VWNXMTODSA-N 1 1 419.550 3.540 40 0 HHABMO COc1ccccc1-c1ccc2c([C@@H]3C[N@H+](Cc4ccsc4)CCN3C)nnn2c1 ZINC000306142688 568904517 /nfs/dbraw/zinc/90/45/17/568904517.db2.gz XGLYDKJNKVYETE-NRFANRHFSA-N 1 1 419.554 3.955 40 0 HHABMO COc1ccccc1-c1ccc2c([C@@H]3C[N@@H+](Cc4ccsc4)CCN3C)nnn2c1 ZINC000306142688 568904518 /nfs/dbraw/zinc/90/45/18/568904518.db2.gz XGLYDKJNKVYETE-NRFANRHFSA-N 1 1 419.554 3.955 40 0 HHABMO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306143362 568904914 /nfs/dbraw/zinc/90/49/14/568904914.db2.gz YAEMZNQHDNWWFF-QHCPKHFHSA-N 1 1 407.445 3.593 40 0 HHABMO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000247946397 569315854 /nfs/dbraw/zinc/31/58/54/569315854.db2.gz WRCBTIFPQOLMCF-NTKDMRAZSA-N 1 1 411.546 3.505 40 0 HHABMO CSc1nnc([C@@H]2CCCN2C(=O)[C@H](c2ccccc2)[N@H+]2CCCC[C@H]2C)n1C ZINC000248018159 569316012 /nfs/dbraw/zinc/31/60/12/569316012.db2.gz HBZOVRZEMGDEEB-NEWSRXKRSA-N 1 1 413.591 3.816 40 0 HHABMO CCOC(=O)[C@]1(Cc2cc(-c3cccc(F)c3)no2)CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000248341457 569316795 /nfs/dbraw/zinc/31/67/95/569316795.db2.gz ZBQHRWZVSMTWRZ-HXOBKFHXSA-N 1 1 416.493 3.705 40 0 HHABMO CCC[NH+]1CCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)CC1 ZINC000008812548 569342015 /nfs/dbraw/zinc/34/20/15/569342015.db2.gz RQCWGLZEWMMHGY-UHFFFAOYSA-N 1 1 402.564 3.680 40 0 HHABMO Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)C[N@H+](Cc1cccc3ncccc13)C2 ZINC000019701570 569347352 /nfs/dbraw/zinc/34/73/52/569347352.db2.gz NMZLGZZMBRWVFN-LJQANCHMSA-N 1 1 415.472 3.846 40 0 HHABMO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000019702029 569347362 /nfs/dbraw/zinc/34/73/62/569347362.db2.gz SATDCDUSYWJIAA-GOSISDBHSA-N 1 1 409.555 3.705 40 0 HHABMO O=C(C[N@@H+]1CC[C@H](c2cc(COc3ccccc3F)[nH]n2)C1)Nc1ccc(F)cc1 ZINC000019738944 569348649 /nfs/dbraw/zinc/34/86/49/569348649.db2.gz LZOXLVYCUZJGJC-HNNXBMFYSA-N 1 1 412.440 3.695 40 0 HHABMO O=C(C[N@H+]1CC[C@H](c2cc(COc3ccccc3F)[nH]n2)C1)Nc1ccc(F)cc1 ZINC000019738944 569348650 /nfs/dbraw/zinc/34/86/50/569348650.db2.gz LZOXLVYCUZJGJC-HNNXBMFYSA-N 1 1 412.440 3.695 40 0 HHABMO CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000020503253 575369861 /nfs/dbraw/zinc/36/98/61/575369861.db2.gz NWEQZCQCMXJXFM-FUHWJXTLSA-N 1 1 422.550 3.942 40 0 biogenic,in-vitro HHABMO O=C1N(Cc2ccc(F)cc2)C[C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)CCN12 ZINC000096269117 291259962 /nfs/dbraw/zinc/25/99/62/291259962.db2.gz RMNBOMDOKHTDQE-LJQANCHMSA-N 1 1 407.411 3.967 40 0 biogenic,in-vitro HHABMO O=C1N(Cc2ccc(F)cc2)C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)CCN12 ZINC000096269117 291259963 /nfs/dbraw/zinc/25/99/63/291259963.db2.gz RMNBOMDOKHTDQE-LJQANCHMSA-N 1 1 407.411 3.967 40 0 biogenic,in-vitro HHABMO COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-n4cc[nH+]c4C)n3)C2)cc1 ZINC000072378930 523918180 /nfs/dbraw/zinc/91/81/80/523918180.db2.gz XQAREHXKQCUCQG-FQEVSTJZSA-N 1 1 404.514 3.923 40 0 HHABMO COc1ccc2cc(S(=O)(=O)NCCC[N@H+]3CCc4ccccc4C3)ccc2c1 ZINC000224346534 525636755 /nfs/dbraw/zinc/63/67/55/525636755.db2.gz ZPEYZJNLHQDWTN-UHFFFAOYSA-N 1 1 410.539 3.575 40 0 HHABMO Cc1cc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(C)n1-c1cccnc1 ZINC000012089511 558324006 /nfs/dbraw/zinc/32/40/06/558324006.db2.gz LUJSDLVQXYJVTA-UHFFFAOYSA-N 1 1 412.497 3.605 40 0 HHABMO CCOc1ccccc1C[N@@H+]1CCc2[nH]c3cc(-c4ccoc4C)nn3c(=O)c2C1 ZINC000012276028 558364191 /nfs/dbraw/zinc/36/41/91/558364191.db2.gz SICHAEMEKMIFDX-UHFFFAOYSA-N 1 1 404.470 3.960 40 0 HHABMO CCOc1ccccc1C[N@H+]1CCc2[nH]c3cc(-c4ccoc4C)nn3c(=O)c2C1 ZINC000012276028 558364196 /nfs/dbraw/zinc/36/41/96/558364196.db2.gz SICHAEMEKMIFDX-UHFFFAOYSA-N 1 1 404.470 3.960 40 0 HHABMO COc1cccc(OC)c1C[N@@H+]1CCc2[nH]c3cc(-c4ccoc4C)nn3c(=O)c2C1 ZINC000012667128 558445307 /nfs/dbraw/zinc/44/53/07/558445307.db2.gz HZPBENNMFYIMJP-UHFFFAOYSA-N 1 1 420.469 3.579 40 0 HHABMO COc1cccc(OC)c1C[N@H+]1CCc2[nH]c3cc(-c4ccoc4C)nn3c(=O)c2C1 ZINC000012667128 558445309 /nfs/dbraw/zinc/44/53/09/558445309.db2.gz HZPBENNMFYIMJP-UHFFFAOYSA-N 1 1 420.469 3.579 40 0 HHABMO O=C(CSCc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882479 558723300 /nfs/dbraw/zinc/72/33/00/558723300.db2.gz JDEAIKRTQMRMOV-UHFFFAOYSA-N 1 1 404.963 3.722 40 0 HHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)C1 ZINC000030939913 558745399 /nfs/dbraw/zinc/74/53/99/558745399.db2.gz XATOCQYBIIDHRV-IBGZPJMESA-N 1 1 421.541 3.643 40 0 HHABMO CC[NH+](CC)[C@H]1Oc2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@@H]1C)OCO3 ZINC000031861720 558753179 /nfs/dbraw/zinc/75/31/79/558753179.db2.gz OMMBEWHNDYJBLZ-DFTDMARZSA-N 1 1 415.486 3.966 40 0 HHABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc(CN4CCOCC4)c3)cc2)C1 ZINC000038831726 558816904 /nfs/dbraw/zinc/81/69/04/558816904.db2.gz RQLJPQRWOQMCAY-NRFANRHFSA-N 1 1 421.585 3.681 40 0 HHABMO CC(C)(C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019081352 558839622 /nfs/dbraw/zinc/83/96/22/558839622.db2.gz ZWRJTHSCOANGQM-IBGZPJMESA-N 1 1 400.567 3.830 40 0 HHABMO COc1c(C)cccc1C[N@H+]1CC[C@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 ZINC000019235897 558854946 /nfs/dbraw/zinc/85/49/46/558854946.db2.gz IKHZIMJUJLKXRG-AREMUKBSSA-N 1 1 415.537 3.986 40 0 HHABMO COc1cc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[nH]c(C)n3)C2)cc(OC)c1 ZINC000019285531 558859860 /nfs/dbraw/zinc/85/98/60/558859860.db2.gz ZSYCEYYPXOXRKL-LEWJYISDSA-N 1 1 423.488 3.618 40 0 HHABMO Cc1[nH+]ccn1CCC(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000019288032 558861256 /nfs/dbraw/zinc/86/12/56/558861256.db2.gz LCKCSDJZBBIUPB-UHFFFAOYSA-N 1 1 403.526 3.756 40 0 HHABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000019290184 558862711 /nfs/dbraw/zinc/86/27/11/558862711.db2.gz ZOFPZJCOXIQNKC-QGZVFWFLSA-N 1 1 408.575 3.918 40 0 HHABMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019348981 558874829 /nfs/dbraw/zinc/87/48/29/558874829.db2.gz JMAYYGNIOFBQGT-GOSISDBHSA-N 1 1 406.509 3.986 40 0 HHABMO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](CC2=CCCOC2)C1 ZINC000019449518 558887980 /nfs/dbraw/zinc/88/79/80/558887980.db2.gz YVORJTYSGSAIEK-AREMUKBSSA-N 1 1 419.569 3.855 40 0 HHABMO CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019501425 558899512 /nfs/dbraw/zinc/89/95/12/558899512.db2.gz IJAXSOQSFPBBBV-FQEVSTJZSA-N 1 1 400.567 3.974 40 0 HHABMO CC[N@H+]1CCC[C@@H]1CNCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000019527241 558908292 /nfs/dbraw/zinc/90/82/92/558908292.db2.gz BWSFVZKPQBIRNF-LJQANCHMSA-N 1 1 407.562 3.585 40 0 HHABMO CCN1CCC[C@@H]1C[NH2+]Cc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000019527241 558908294 /nfs/dbraw/zinc/90/82/94/558908294.db2.gz BWSFVZKPQBIRNF-LJQANCHMSA-N 1 1 407.562 3.585 40 0 HHABMO CCN1CC[N@@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527712 558908942 /nfs/dbraw/zinc/90/89/42/558908942.db2.gz UYSLGQQFNWYFON-HSZRJFAPSA-N 1 1 414.553 3.975 40 0 HHABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)CCc3ccccc3)CC2)n(C)n1 ZINC000019562463 558922932 /nfs/dbraw/zinc/92/29/32/558922932.db2.gz XQOAEOBYSKIHNW-UHFFFAOYSA-N 1 1 423.586 3.565 40 0 HHABMO Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)n1 ZINC000019573130 558931290 /nfs/dbraw/zinc/93/12/90/558931290.db2.gz MQTUTVSDVSWZLK-SFHVURJKSA-N 1 1 408.550 3.962 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)[C@@H]1CCCO1 ZINC000072330577 558935032 /nfs/dbraw/zinc/93/50/32/558935032.db2.gz FCJWSRJSGDQLJE-XJABCFGWSA-N 1 1 415.484 3.608 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019580490 558936099 /nfs/dbraw/zinc/93/60/99/558936099.db2.gz UEFWSMMOCKTLHM-VWLOTQADSA-N 1 1 400.526 3.667 40 0 HHABMO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019591337 558941680 /nfs/dbraw/zinc/94/16/80/558941680.db2.gz MYWZHWPCYPOCGG-VWLOTQADSA-N 1 1 400.526 3.715 40 0 HHABMO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019591309 558941720 /nfs/dbraw/zinc/94/17/20/558941720.db2.gz WZFKZVAPNWVTBB-VWLOTQADSA-N 1 1 418.516 3.854 40 0 HHABMO CNc1cc([C@@H]2CCC[N@@H+](Cc3ccc(OC)c(OC)c3)C2)nc(-c2cccnc2)n1 ZINC000019592201 558943125 /nfs/dbraw/zinc/94/31/25/558943125.db2.gz VAQDGDJHDVXZJT-LJQANCHMSA-N 1 1 419.529 3.977 40 0 HHABMO COCCC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(OC)cc1)C[N@H+]2Cc1ccccc1 ZINC000019593202 558944117 /nfs/dbraw/zinc/94/41/17/558944117.db2.gz JFGDCUAYWXBIFR-HJOGWXRNSA-N 1 1 408.542 3.548 40 0 HHABMO COc1ccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)Nc4ccccn4)C3)n2)cc1 ZINC000072349541 558946377 /nfs/dbraw/zinc/94/63/77/558946377.db2.gz BSDADXDULNQSTH-LJQANCHMSA-N 1 1 402.498 3.970 40 0 HHABMO COc1ccc(-c2cccc([C@@H]3CCC[N@@H+](CC(=O)Nc4ccccn4)C3)n2)cc1 ZINC000072349541 558946378 /nfs/dbraw/zinc/94/63/78/558946378.db2.gz BSDADXDULNQSTH-LJQANCHMSA-N 1 1 402.498 3.970 40 0 HHABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349537 558946385 /nfs/dbraw/zinc/94/63/85/558946385.db2.gz AIGPKPPMYRDKBQ-KRWDZBQOSA-N 1 1 405.464 3.959 40 0 HHABMO O=C(c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2ccncc2)C1)N1CCOCC1 ZINC000072356008 558952770 /nfs/dbraw/zinc/95/27/70/558952770.db2.gz BKSBNNTYUGSTKF-SFHVURJKSA-N 1 1 407.539 3.758 40 0 HHABMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCC(c2ccc(-c3cncnc3)cn2)CC1 ZINC000019688122 558957694 /nfs/dbraw/zinc/95/76/94/558957694.db2.gz MNXTZIKLDGBCAE-KRWDZBQOSA-N 1 1 404.518 3.826 40 0 HHABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)NCc2ccc(F)cc2)c(C)n1 ZINC000072371188 558957996 /nfs/dbraw/zinc/95/79/96/558957996.db2.gz ZKHFXWDNIDLATP-HSZRJFAPSA-N 1 1 421.520 3.838 40 0 HHABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1ccc(C(=O)NCc2ccc(F)cc2)c(C)n1 ZINC000072371188 558957998 /nfs/dbraw/zinc/95/79/98/558957998.db2.gz ZKHFXWDNIDLATP-HSZRJFAPSA-N 1 1 421.520 3.838 40 0 HHABMO Cn1cc(-c2ccc(C3CC[NH+](CC(=O)N4CCCc5ccccc54)CC3)nc2)cn1 ZINC000019689030 558958532 /nfs/dbraw/zinc/95/85/32/558958532.db2.gz LWUDVJQVYQMYGD-UHFFFAOYSA-N 1 1 415.541 3.641 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)cn1 ZINC000019689800 558959235 /nfs/dbraw/zinc/95/92/35/558959235.db2.gz GQASPPLMWUNYNO-OAQYLSRUSA-N 1 1 406.534 3.772 40 0 HHABMO Cc1cccc(CNC(=O)C2(Cc3cccc([C@@H]4CCC[N@H+](C)C4)c3)CCOCC2)n1 ZINC000072372265 558959439 /nfs/dbraw/zinc/95/94/39/558959439.db2.gz KGZWYOBVAZNDKZ-HSZRJFAPSA-N 1 1 421.585 3.855 40 0 HHABMO Cc1cc(Cc2ccc(Cl)cc2)cc([C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2=O)n1 ZINC000019691907 558961140 /nfs/dbraw/zinc/96/11/40/558961140.db2.gz FFSRQJCURFDVOC-NRFANRHFSA-N 1 1 411.933 3.920 40 0 HHABMO Cc1cc(Cc2ccc(Cl)cc2)cc([C@@H]2CCC[N@H+]2CC(=O)N2CCCC2=O)n1 ZINC000019691907 558961142 /nfs/dbraw/zinc/96/11/42/558961142.db2.gz FFSRQJCURFDVOC-NRFANRHFSA-N 1 1 411.933 3.920 40 0 HHABMO O=C(NCCO)c1sc2ccccc2c1[C@@H]1C[N@H+](CC2CCCCC2)CCO1 ZINC000019697852 558965476 /nfs/dbraw/zinc/96/54/76/558965476.db2.gz AQNOUYSHAHHHPG-SFHVURJKSA-N 1 1 402.560 3.577 40 0 HHABMO O=C(NCCO)c1sc2ccccc2c1[C@@H]1C[N@@H+](CC2CCCCC2)CCO1 ZINC000019697852 558965478 /nfs/dbraw/zinc/96/54/78/558965478.db2.gz AQNOUYSHAHHHPG-SFHVURJKSA-N 1 1 402.560 3.577 40 0 HHABMO COc1cccc(C[N@@H+]2CCO[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)c1 ZINC000072389030 558969433 /nfs/dbraw/zinc/96/94/33/558969433.db2.gz PHXLXVGAGPJTNA-AREMUKBSSA-N 1 1 416.521 3.661 40 0 HHABMO COc1cccc(C[N@H+]2CCO[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)c1 ZINC000072389030 558969435 /nfs/dbraw/zinc/96/94/35/558969435.db2.gz PHXLXVGAGPJTNA-AREMUKBSSA-N 1 1 416.521 3.661 40 0 HHABMO Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC(Cn2cc[nH+]c2C)CC1 ZINC000072391746 558971499 /nfs/dbraw/zinc/97/14/99/558971499.db2.gz HACSEMAZKJWYDT-UHFFFAOYSA-N 1 1 405.546 3.865 40 0 HHABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)ccc1OC(F)F ZINC000072392534 558972132 /nfs/dbraw/zinc/97/21/32/558972132.db2.gz PGXOOLJRVHTWHZ-JKSBSHDWSA-N 1 1 404.457 3.730 40 0 HHABMO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccnn2C)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019711191 558973505 /nfs/dbraw/zinc/97/35/05/558973505.db2.gz DDFJJPLWPIDGJS-QFIPXVFZSA-N 1 1 407.493 3.530 40 0 HHABMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccnn2C)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019711191 558973507 /nfs/dbraw/zinc/97/35/07/558973507.db2.gz DDFJJPLWPIDGJS-QFIPXVFZSA-N 1 1 407.493 3.530 40 0 HHABMO CCOc1ncc([C@@]2(O)CC[C@@H]3C[N@@H+](C/C(C)=C/c4ccccc4)C[C@@H]32)c(OCC)n1 ZINC000072395419 558974395 /nfs/dbraw/zinc/97/43/95/558974395.db2.gz DBPZFCWPPDODIW-XVVZMEGUSA-N 1 1 423.557 3.907 40 0 HHABMO Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCC[N@@H+](Cc4cccnc4)C3)on2)cc1 ZINC000072395952 558975073 /nfs/dbraw/zinc/97/50/73/558975073.db2.gz FJZLDUUKIFTLPO-RUZDIDTESA-N 1 1 418.541 3.958 40 0 HHABMO Cc1[nH+]ccn1CC1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1 ZINC000019716026 558977493 /nfs/dbraw/zinc/97/74/93/558977493.db2.gz WFLKCFVIXBSVBO-UHFFFAOYSA-N 1 1 403.548 3.614 40 0 HHABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)CCOc1ccccc1Cl)C2 ZINC000585102041 559025217 /nfs/dbraw/zinc/02/52/17/559025217.db2.gz ONWWDRJXAKZSPX-JOCHJYFZSA-N 1 1 417.937 3.981 40 0 HHABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)CCOc1ccccc1Cl)C2 ZINC000585102041 559025219 /nfs/dbraw/zinc/02/52/19/559025219.db2.gz ONWWDRJXAKZSPX-JOCHJYFZSA-N 1 1 417.937 3.981 40 0 HHABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@@H](C)C4)C3)CC2)cc1 ZINC000585104518 559027006 /nfs/dbraw/zinc/02/70/06/559027006.db2.gz PSKWJCJRVSLXHZ-IFMALSPDSA-N 1 1 400.563 3.503 40 0 HHABMO COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)C5(F)CCC5)CCO4)[nH+]cn3c2)cc1 ZINC000585113150 559031119 /nfs/dbraw/zinc/03/11/19/559031119.db2.gz PLDGQNPAVDNCHJ-FQEVSTJZSA-N 1 1 409.461 3.802 40 0 HHABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000585270391 559116340 /nfs/dbraw/zinc/11/63/40/559116340.db2.gz VSSARWZZIVUIIC-QFIPXVFZSA-N 1 1 422.525 3.931 40 0 HHABMO Cc1cnn(CCOc2ccc(C[N@H+]3CCC[C@](O)(COc4ccccc4)C3)cc2)c1 ZINC000585271703 559117534 /nfs/dbraw/zinc/11/75/34/559117534.db2.gz BQSKDVZZPPOMMS-RUZDIDTESA-N 1 1 421.541 3.676 40 0 HHABMO O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000585279036 559119337 /nfs/dbraw/zinc/11/93/37/559119337.db2.gz BYSQSCDQCIAXDQ-VWLOTQADSA-N 1 1 410.558 3.567 40 0 HHABMO CC(=O)N1CCC([N@H+]2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000585281713 559119366 /nfs/dbraw/zinc/11/93/66/559119366.db2.gz PZULPIDHAMHPNA-FQEVSTJZSA-N 1 1 415.361 3.600 40 0 HHABMO CC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585287219 559122153 /nfs/dbraw/zinc/12/21/53/559122153.db2.gz LBANCGBQMQQYJQ-XMMPIXPASA-N 1 1 402.579 3.546 40 0 HHABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)s1 ZINC000072227284 559170194 /nfs/dbraw/zinc/17/01/94/559170194.db2.gz KBTGOGISGUYLEB-VXGBXAGGSA-N 1 1 402.111 3.688 40 0 HHABMO O=C(Cc1ccc(F)cc1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072353557 559185749 /nfs/dbraw/zinc/18/57/49/559185749.db2.gz WSZNGJWYPIGWKY-HSZRJFAPSA-N 1 1 417.528 3.967 40 0 HHABMO CCSc1nnc(C2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)n1C ZINC000005001360 560619979 /nfs/dbraw/zinc/61/99/79/560619979.db2.gz JRJIRVRSFMOAEA-UHFFFAOYSA-N 1 1 409.559 3.898 40 0 HHABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N3CCC(C)CC3)cc2)CC1 ZINC000408831756 560645673 /nfs/dbraw/zinc/64/56/73/560645673.db2.gz WREWRDBTEVYIQE-UHFFFAOYSA-N 1 1 407.558 3.890 40 0 HHABMO Cc1c(C)n(C[C@H](O)C[N@H+](C)Cc2cccc(CN3CCOCC3)c2)c2ccccc12 ZINC000585273170 560741534 /nfs/dbraw/zinc/74/15/34/560741534.db2.gz POJJKSMWKOQYDB-XMMPIXPASA-N 1 1 421.585 3.583 40 0 HHABMO COc1ccc(OC)c(C[N@@H+](Cc2cc3c(c(OC)c2)OCO3)C[C@@H]2CCCO2)c1 ZINC000013994895 560831722 /nfs/dbraw/zinc/83/17/22/560831722.db2.gz UFLDCWNPVZZNEK-IBGZPJMESA-N 1 1 415.486 3.622 40 0 HHABMO COc1ccc(OC)c(C[N@H+](Cc2cc3c(c(OC)c2)OCO3)C[C@@H]2CCCO2)c1 ZINC000013994895 560831723 /nfs/dbraw/zinc/83/17/23/560831723.db2.gz UFLDCWNPVZZNEK-IBGZPJMESA-N 1 1 415.486 3.622 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020140011 560881152 /nfs/dbraw/zinc/88/11/52/560881152.db2.gz ZQVYLIQWGOHBGT-JOCHJYFZSA-N 1 1 422.552 3.865 40 0 HHABMO CC(C)CCn1nnnc1[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020142007 560881572 /nfs/dbraw/zinc/88/15/72/560881572.db2.gz ZAZAQIQNLMTJAJ-HSZRJFAPSA-N 1 1 422.552 3.766 40 0 HHABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cc(OC)c1OC ZINC000036739992 568415616 /nfs/dbraw/zinc/41/56/16/568415616.db2.gz TVBPJBMXYGMPJD-QUZZAMIASA-N 1 1 401.478 3.581 40 0 HHABMO CCOC[C@@]1([NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218633118 568482665 /nfs/dbraw/zinc/48/26/65/568482665.db2.gz NSMLIICRQZEJJM-FGTMMUONSA-N 1 1 400.327 3.667 40 0 HHABMO COc1cccc(-c2noc(CNC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)n2)c1 ZINC000219240328 568488314 /nfs/dbraw/zinc/48/83/14/568488314.db2.gz CMJHFBVOTNDGPK-KRWDZBQOSA-N 1 1 420.513 3.907 40 0 HHABMO C[C@@]1(O)CC[N@H+](Cc2cccnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383320 568489631 /nfs/dbraw/zinc/48/96/31/568489631.db2.gz VSPSOGBFHOXYCS-SONWIMMPSA-N 1 1 419.500 3.717 40 0 biogenic,in-vitro HHABMO C[C@@]1(O)CC[N@@H+](Cc2cccnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383320 568489633 /nfs/dbraw/zinc/48/96/33/568489633.db2.gz VSPSOGBFHOXYCS-SONWIMMPSA-N 1 1 419.500 3.717 40 0 biogenic,in-vitro HHABMO CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222600632 568519972 /nfs/dbraw/zinc/51/99/72/568519972.db2.gz VZXTWXCBYREUJJ-LJQANCHMSA-N 1 1 408.477 3.746 40 0 HHABMO CC(C)n1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000026441151 568549535 /nfs/dbraw/zinc/54/95/35/568549535.db2.gz UCIWSJYQLBTJRC-HXUWFJFHSA-N 1 1 414.623 3.822 40 0 HHABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000223706082 568556821 /nfs/dbraw/zinc/55/68/21/568556821.db2.gz LQLFHSLETIUHCM-UHFFFAOYSA-N 1 1 411.527 3.763 40 0 HHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000225300169 568628646 /nfs/dbraw/zinc/62/86/46/568628646.db2.gz HMEOXNKDKWJQAN-UHFFFAOYSA-N 1 1 401.470 3.870 40 0 HHABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)cc1OCC ZINC000095534610 568635849 /nfs/dbraw/zinc/63/58/49/568635849.db2.gz XZUALZVPOPVNKG-HNNXBMFYSA-N 1 1 407.268 3.673 40 0 HHABMO Cc1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)cc1N1CCCC1=O ZINC000225744093 568670607 /nfs/dbraw/zinc/67/06/07/568670607.db2.gz HWURJMLMLHQZAA-UHFFFAOYSA-N 1 1 422.598 3.857 40 0 HHABMO NC(=O)Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000225907437 568685079 /nfs/dbraw/zinc/68/50/79/568685079.db2.gz VQFQMMCFOHSNHX-INIZCTEOSA-N 1 1 420.340 3.872 40 0 HHABMO NC(=O)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000225907437 568685082 /nfs/dbraw/zinc/68/50/82/568685082.db2.gz VQFQMMCFOHSNHX-INIZCTEOSA-N 1 1 420.340 3.872 40 0 HHABMO Cc1cc(C[C@H]2CCC[C@@H]3C[N@@H+](CC(=O)Nc4ccnn4C4CCCC4)C[C@@H]32)ncn1 ZINC000257199629 568775953 /nfs/dbraw/zinc/77/59/53/568775953.db2.gz AAEVIUFAPOFLHC-WOIUINJBSA-N 1 1 422.577 3.626 40 0 HHABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1cccc(-c2cccc(OC)c2)c1 ZINC000257213316 568780051 /nfs/dbraw/zinc/78/00/51/568780051.db2.gz CHAXSQIFYQVULZ-VWLOTQADSA-N 1 1 401.510 3.995 40 0 HHABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1cccc(-c2cccc(OC)c2)c1 ZINC000257213316 568780053 /nfs/dbraw/zinc/78/00/53/568780053.db2.gz CHAXSQIFYQVULZ-VWLOTQADSA-N 1 1 401.510 3.995 40 0 HHABMO Cn1nc([C@H]2C[N@H+](CCc3ccccc3)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257230204 568784898 /nfs/dbraw/zinc/78/48/98/568784898.db2.gz GBHIJOZIEGXBAU-XMMPIXPASA-N 1 1 409.505 3.797 40 0 HHABMO Cn1nc([C@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257230204 568784900 /nfs/dbraw/zinc/78/49/00/568784900.db2.gz GBHIJOZIEGXBAU-XMMPIXPASA-N 1 1 409.505 3.797 40 0 HHABMO CCN(C(=O)C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)c1cccc(C)c1 ZINC000257251575 568790672 /nfs/dbraw/zinc/79/06/72/568790672.db2.gz JRHHXPYQRLXTLQ-ZCYQVOJMSA-N 1 1 408.542 3.798 40 0 HHABMO CCN(C(=O)C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)c1cccc(C)c1 ZINC000257251575 568790673 /nfs/dbraw/zinc/79/06/73/568790673.db2.gz JRHHXPYQRLXTLQ-ZCYQVOJMSA-N 1 1 408.542 3.798 40 0 HHABMO Cc1nc2cc(NC(=O)C[N@@H+]3CCOC[C@@H](Cc4cccc5occc54)C3)ccc2[nH]1 ZINC000257278022 568798015 /nfs/dbraw/zinc/79/80/15/568798015.db2.gz OALILLQHAJPVGZ-KRWDZBQOSA-N 1 1 418.497 3.747 40 0 HHABMO Cc1nc2cc(NC(=O)C[N@H+]3CCOC[C@@H](Cc4cccc5occc54)C3)ccc2[nH]1 ZINC000257278022 568798017 /nfs/dbraw/zinc/79/80/17/568798017.db2.gz OALILLQHAJPVGZ-KRWDZBQOSA-N 1 1 418.497 3.747 40 0 HHABMO CCN(C(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1)c1cccc(C)c1 ZINC000257336713 568815171 /nfs/dbraw/zinc/81/51/71/568815171.db2.gz YPRTWZAWLUYJLA-GMAHTHKFSA-N 1 1 416.949 3.906 40 0 HHABMO CCN(C(=O)C[N@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1)c1cccc(C)c1 ZINC000257336713 568815172 /nfs/dbraw/zinc/81/51/72/568815172.db2.gz YPRTWZAWLUYJLA-GMAHTHKFSA-N 1 1 416.949 3.906 40 0 HHABMO Cc1ccc(C(=O)N2CCN(C)[C@@H](c3[nH+]cn4cc(-c5cccnc5)ccc34)C2)cc1 ZINC000306130159 568892520 /nfs/dbraw/zinc/89/25/20/568892520.db2.gz IXSYEHLZGFOITG-HSZRJFAPSA-N 1 1 411.509 3.834 40 0 HHABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306144080 568905365 /nfs/dbraw/zinc/90/53/65/568905365.db2.gz YVQJQAJXLGKXFQ-XUZZJYLKSA-N 1 1 410.537 3.831 40 0 HHABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cc(OC)c1OC ZINC000247908447 569315686 /nfs/dbraw/zinc/31/56/86/569315686.db2.gz TVBPJBMXYGMPJD-BTCOZLQPSA-N 1 1 401.478 3.581 40 0 HHABMO CC(=O)Nc1nc(C(=O)Nc2ccc(CC[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)cs1 ZINC000247975347 569315888 /nfs/dbraw/zinc/31/58/88/569315888.db2.gz ZTFICEHYFQIFFE-RHSMWYFYSA-N 1 1 400.548 3.874 40 0 HHABMO CCc1ccccc1NC(=O)COc1ccc(C(=S)N2CC[NH+](CC)CC2)cc1 ZINC000008088355 569339433 /nfs/dbraw/zinc/33/94/33/569339433.db2.gz HHOMPQKQPDILPL-UHFFFAOYSA-N 1 1 411.571 3.580 40 0 HHABMO COc1ncc([C@]2(O)CCC[C@@H]3C[N@@H+](Cc4ccc(C(C)C)cc4)C[C@@H]32)c(OC)n1 ZINC000012233315 569344730 /nfs/dbraw/zinc/34/47/30/569344730.db2.gz NDYQBMVSSLLTOF-NHCICSSKSA-N 1 1 411.546 3.737 40 0 HHABMO COc1ncc([C@]2(O)CCC[C@H]3C[N@@H+](Cc4ccc(C(C)C)cc4)C[C@@H]32)c(OC)n1 ZINC000012233323 569344746 /nfs/dbraw/zinc/34/47/46/569344746.db2.gz NDYQBMVSSLLTOF-ZCVJKFOLSA-N 1 1 411.546 3.737 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000019348963 569345400 /nfs/dbraw/zinc/34/54/00/569345400.db2.gz ZZRRMPGGAFROFJ-WMZHIEFXSA-N 1 1 404.489 3.999 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)cc1OC ZINC000019560932 569345685 /nfs/dbraw/zinc/34/56/85/569345685.db2.gz RTJVJMQQJWTSBM-HYBUGGRVSA-N 1 1 423.557 3.968 40 0 HHABMO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)C2CCCCC2)n1 ZINC000019697386 569346908 /nfs/dbraw/zinc/34/69/08/569346908.db2.gz MXFWJFGIGBSMOS-LJQANCHMSA-N 1 1 407.562 3.799 40 0 HHABMO Cc1ccc(-c2nnn(CC(=O)Nc3cccc(C[N@@H+]4CCCC[C@H]4C)c3)n2)cc1 ZINC000141560949 569354754 /nfs/dbraw/zinc/35/47/54/569354754.db2.gz SFGHVQCZESJDKI-GOSISDBHSA-N 1 1 404.518 3.662 40 0 HHABMO CSc1ccc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)cc1 ZINC000012143361 132354889 /nfs/dbraw/zinc/35/48/89/132354889.db2.gz IBCNZVGOSGRPRR-JOCHJYFZSA-N 1 1 408.571 3.546 40 0 HHABMO COc1ccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1OC ZINC000044851729 523936750 /nfs/dbraw/zinc/93/67/50/523936750.db2.gz WAEAEXDVFYBTCS-HXUWFJFHSA-N 1 1 414.521 3.804 40 0 HHABMO Cc1cccnc1CNC(=O)C1(Cc2cccc([C@H]3CCC[N@H+](C)C3)c2)CCOCC1 ZINC000072372270 525512153 /nfs/dbraw/zinc/51/21/53/525512153.db2.gz ZSZXYEPTPWCZOB-QHCPKHFHSA-N 1 1 421.585 3.855 40 0 HHABMO Cc1nc([C@@H]2CCC[N@@H+]2C2CCOCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019741881 558262491 /nfs/dbraw/zinc/26/24/91/558262491.db2.gz ISAUCPVCAPZYGN-NRFANRHFSA-N 1 1 424.520 3.719 40 0 HHABMO Cc1nc([C@@H]2CCC[N@H+]2C2CCOCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019741881 558262494 /nfs/dbraw/zinc/26/24/94/558262494.db2.gz ISAUCPVCAPZYGN-NRFANRHFSA-N 1 1 424.520 3.719 40 0 HHABMO CNC(=O)c1cc([C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759621 558275967 /nfs/dbraw/zinc/27/59/67/558275967.db2.gz LXGKXPZZHKJYSD-DEOSSOPVSA-N 1 1 412.493 3.716 40 0 HHABMO CNC(=O)c1cc([C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759621 558275969 /nfs/dbraw/zinc/27/59/69/558275969.db2.gz LXGKXPZZHKJYSD-DEOSSOPVSA-N 1 1 412.493 3.716 40 0 HHABMO CSc1ncc(C[NH+]2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)cn1 ZINC000012123210 558331018 /nfs/dbraw/zinc/33/10/18/558331018.db2.gz VZUPVRBDGOSQIO-UHFFFAOYSA-N 1 1 411.579 3.501 40 0 HHABMO COc1ccccc1NC(=O)COc1ccc(/C=C/C2=CC[N@@H+](C)CC2)cc1OC ZINC000012143035 558335268 /nfs/dbraw/zinc/33/52/68/558335268.db2.gz XEDPIECBXSKTCG-CMDGGOBGSA-N 1 1 408.498 3.996 40 0 HHABMO COCCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC ZINC000012329115 558383809 /nfs/dbraw/zinc/38/38/09/558383809.db2.gz YGEOZKVUOZPITN-SVGJNIJCSA-N 1 1 415.505 3.874 40 0 HHABMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1cccc(F)c1 ZINC000020534041 558385514 /nfs/dbraw/zinc/38/55/14/558385514.db2.gz VSJWSYNIZXZLCC-SFHVURJKSA-N 1 1 409.486 3.947 40 0 HHABMO COc1cc([C@@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@H]2C)OCO4)cc(OC)c1O ZINC000031861716 558753225 /nfs/dbraw/zinc/75/32/25/558753225.db2.gz MPDXBMJHDYBXLL-DFTDMARZSA-N 1 1 413.470 3.720 40 0 HHABMO CC(C)NC(=O)Cn1cc(CN2CCC([N@H+]3CCC[C@H](C)C3)CC2)c2ccccc21 ZINC000036741491 558802194 /nfs/dbraw/zinc/80/21/94/558802194.db2.gz JXWNHFLGELANPH-FQEVSTJZSA-N 1 1 410.606 3.862 40 0 HHABMO O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047227891 558841905 /nfs/dbraw/zinc/84/19/05/558841905.db2.gz PZCDUVGSBKVSGI-UHFFFAOYSA-N 1 1 409.313 3.521 40 0 HHABMO Cc1ccc([C@@H]2C[N@@H+](CC(=O)N(C)CCc3ccccc3)C[C@H]2c2csnn2)cc1 ZINC000019211938 558848600 /nfs/dbraw/zinc/84/86/00/558848600.db2.gz MSTJGKRWVOWJKA-FCHUYYIVSA-N 1 1 420.582 3.731 40 0 HHABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000019290172 558862686 /nfs/dbraw/zinc/86/26/86/558862686.db2.gz WOWMNDKWOMSTID-LJQANCHMSA-N 1 1 420.536 3.996 40 0 HHABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000019290163 558862706 /nfs/dbraw/zinc/86/27/06/558862706.db2.gz NHTJKHYOUJLBSL-OAQYLSRUSA-N 1 1 416.573 3.899 40 0 HHABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000019290168 558862721 /nfs/dbraw/zinc/86/27/21/558862721.db2.gz XJGJKLADMPNRNH-LJQANCHMSA-N 1 1 420.536 3.996 40 0 HHABMO O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019293556 558865363 /nfs/dbraw/zinc/86/53/63/558865363.db2.gz NXZQZSWDRNDMHR-OAQYLSRUSA-N 1 1 424.520 3.989 40 0 HHABMO O=C(c1cccnc1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3ccncc3)CC[C@H]21 ZINC000019337826 558870485 /nfs/dbraw/zinc/87/04/85/558870485.db2.gz ARBBSQZYFPXSLB-WXFUMESZSA-N 1 1 416.500 3.746 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)[C@@H]1CCCO1 ZINC000019400548 558883107 /nfs/dbraw/zinc/88/31/07/558883107.db2.gz DWHQBTCVRJYDIW-BULFRSBZSA-N 1 1 415.484 3.608 40 0 HHABMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000056290933 558885624 /nfs/dbraw/zinc/88/56/24/558885624.db2.gz VOGBXWCXKSSCRU-UHFFFAOYSA-N 1 1 413.521 3.845 40 0 HHABMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C)cc3N2)CC1 ZINC000019500942 558898838 /nfs/dbraw/zinc/89/88/38/558898838.db2.gz QNIDJLJFXFDYKC-GBESFXJTSA-N 1 1 423.552 3.685 40 0 HHABMO CCSc1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019520527 558901362 /nfs/dbraw/zinc/90/13/62/558901362.db2.gz CRQJZXOECVRVBO-OAHLLOKOSA-N 1 1 413.572 3.780 40 0 HHABMO CCN1CC[N@@H+](Cc2ccncc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527452 558908715 /nfs/dbraw/zinc/90/87/15/558908715.db2.gz GETWEKBQRAGOMT-XMMPIXPASA-N 1 1 400.526 3.667 40 0 HHABMO CCOc1ccc(C[N@H+]2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc1OC ZINC000019533868 558913281 /nfs/dbraw/zinc/91/32/81/558913281.db2.gz CJVSQYSCAWKBLP-QGZVFWFLSA-N 1 1 413.547 3.721 40 0 HHABMO COc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)CC[C@@H]3CCCO3)CC2)cc1 ZINC000019553309 558916634 /nfs/dbraw/zinc/91/66/34/558916634.db2.gz JVWGYKZATULCHZ-ZCYQVOJMSA-N 1 1 408.542 3.888 40 0 HHABMO COc1ccc(C[N@H+]2CCCC[C@H]3CN(C(=O)c4cccc(OC)c4OC)C[C@H]32)cc1 ZINC000019555308 558918275 /nfs/dbraw/zinc/91/82/75/558918275.db2.gz PZYIZIHCHOIEDP-SIKLNZKXSA-N 1 1 424.541 3.839 40 0 HHABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2NC(=O)c2ccco2)cc1OC ZINC000019561457 558922098 /nfs/dbraw/zinc/92/20/98/558922098.db2.gz ZRJCOBPHKJFGPB-UXHICEINSA-N 1 1 406.482 3.695 40 0 HHABMO Cc1noc2nc([C@H]3CCC[N@H+](Cc4cnc(N(C)C)nc4)C3)cc(C(F)F)c12 ZINC000019564403 558924441 /nfs/dbraw/zinc/92/44/41/558924441.db2.gz QBRGVWSAZJFCQY-AWEZNQCLSA-N 1 1 402.449 3.704 40 0 HHABMO COc1cccc(C[N@H+]2CCNC(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)c1 ZINC000019565372 558925441 /nfs/dbraw/zinc/92/54/41/558925441.db2.gz NZAMGVHELKIYBQ-HSZRJFAPSA-N 1 1 401.510 3.548 40 0 HHABMO Cc1cc(C[N@@H+]2CCC[C@@H](Cn3nnc4c3nc(C(C)C)[nH]c4=O)C2)c(C)s1 ZINC000019567970 558927025 /nfs/dbraw/zinc/92/70/25/558927025.db2.gz GXMPAHLXAHDGOW-OAHLLOKOSA-N 1 1 400.552 3.641 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019579601 558935193 /nfs/dbraw/zinc/93/51/93/558935193.db2.gz AMZCLKFWZXAOLH-XMMPIXPASA-N 1 1 404.514 3.650 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019580488 558936069 /nfs/dbraw/zinc/93/60/69/558936069.db2.gz UEFWSMMOCKTLHM-RUZDIDTESA-N 1 1 400.526 3.667 40 0 HHABMO CC(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc21 ZINC000060016393 558940320 /nfs/dbraw/zinc/94/03/20/558940320.db2.gz OWRKYZZCMGGWSI-DFBJGRDBSA-N 1 1 407.558 3.538 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019591350 558941911 /nfs/dbraw/zinc/94/19/11/558941911.db2.gz GTOJRAKJQILRNP-RUZDIDTESA-N 1 1 400.526 3.715 40 0 HHABMO COc1ccc(-c2cccc([C@H]3CCC[N@H+](CC(=O)Nc4ccccn4)C3)n2)cc1 ZINC000072349542 558946287 /nfs/dbraw/zinc/94/62/87/558946287.db2.gz BSDADXDULNQSTH-IBGZPJMESA-N 1 1 402.498 3.970 40 0 HHABMO COc1ccc(-c2cccc([C@H]3CCC[N@@H+](CC(=O)Nc4ccccn4)C3)n2)cc1 ZINC000072349542 558946290 /nfs/dbraw/zinc/94/62/90/558946290.db2.gz BSDADXDULNQSTH-IBGZPJMESA-N 1 1 402.498 3.970 40 0 HHABMO COc1cccc(C[N@@H+]2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)c1 ZINC000072351665 558947851 /nfs/dbraw/zinc/94/78/51/558947851.db2.gz QFVPNTSKKQNJKG-XMMPIXPASA-N 1 1 401.510 3.643 40 0 HHABMO COc1cccc(C[N@H+]2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccncc3)c2)c1 ZINC000072351665 558947855 /nfs/dbraw/zinc/94/78/55/558947855.db2.gz QFVPNTSKKQNJKG-XMMPIXPASA-N 1 1 401.510 3.643 40 0 HHABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000072352373 558948660 /nfs/dbraw/zinc/94/86/60/558948660.db2.gz VWACGSGYPHHTSN-AWEZNQCLSA-N 1 1 411.502 3.828 40 0 HHABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000072352373 558948662 /nfs/dbraw/zinc/94/86/62/558948662.db2.gz VWACGSGYPHHTSN-AWEZNQCLSA-N 1 1 411.502 3.828 40 0 HHABMO O=C(C[N@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)NCCc1c[nH]c2ccccc12 ZINC000019656873 558949436 /nfs/dbraw/zinc/94/94/36/558949436.db2.gz UQGUFZSIBXHBOR-GOSISDBHSA-N 1 1 415.541 3.658 40 0 HHABMO O=C(c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2ccccn2)C1)N1CCOCC1 ZINC000072356026 558952703 /nfs/dbraw/zinc/95/27/03/558952703.db2.gz QYDYLWVZIIXXLQ-KRWDZBQOSA-N 1 1 407.539 3.758 40 0 HHABMO Cc1noc(C)c1CC(=O)N1CCC(Cc2cc(NC3CCCC3)nc(C)[nH+]2)CC1 ZINC000072356215 558953113 /nfs/dbraw/zinc/95/31/13/558953113.db2.gz PSOQDVHABLYVPC-UHFFFAOYSA-N 1 1 411.550 3.768 40 0 HHABMO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1c1cc(C)[nH+]c(C)n1 ZINC000072370345 558956839 /nfs/dbraw/zinc/95/68/39/558956839.db2.gz VTNQINXGMXENGJ-QGZVFWFLSA-N 1 1 424.570 3.896 40 0 HHABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000072370563 558956982 /nfs/dbraw/zinc/95/69/82/558956982.db2.gz RYUFKVHHBVGREJ-KRWDZBQOSA-N 1 1 423.586 3.714 40 0 HHABMO Nc1ccc(-c2ccc([C@H]3CCC[N@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)cn1 ZINC000019688619 558958016 /nfs/dbraw/zinc/95/80/16/558958016.db2.gz RUEKGYNEWYKGHC-SFHVURJKSA-N 1 1 405.477 3.683 40 0 HHABMO Nc1ccc(-c2ccc([C@H]3CCC[N@@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)cn1 ZINC000019688619 558958018 /nfs/dbraw/zinc/95/80/18/558958018.db2.gz RUEKGYNEWYKGHC-SFHVURJKSA-N 1 1 405.477 3.683 40 0 HHABMO CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000072376829 558966138 /nfs/dbraw/zinc/96/61/38/558966138.db2.gz DMRKIVWLWQLHNC-GOSISDBHSA-N 1 1 401.942 3.775 40 0 HHABMO CCN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000072376829 558966140 /nfs/dbraw/zinc/96/61/40/558966140.db2.gz DMRKIVWLWQLHNC-GOSISDBHSA-N 1 1 401.942 3.775 40 0 HHABMO COc1ccc2c(c1)c([C@H]1C[N@@H+](Cc3cccc(F)c3F)C[C@@H]1NC(C)=O)cn2C ZINC000072395552 558974475 /nfs/dbraw/zinc/97/44/75/558974475.db2.gz ZVPRXWXGFIFUGZ-CTNGQTDRSA-N 1 1 413.468 3.569 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccn1 ZINC000072398631 558976234 /nfs/dbraw/zinc/97/62/34/558976234.db2.gz DAAOFDQYLIZYNN-CVDCTZTESA-N 1 1 404.489 3.999 40 0 HHABMO O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000019717943 558980952 /nfs/dbraw/zinc/98/09/52/558980952.db2.gz HYIXFAUEAUZPNF-HSZRJFAPSA-N 1 1 413.477 3.931 40 0 HHABMO O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000019717943 558980957 /nfs/dbraw/zinc/98/09/57/558980957.db2.gz HYIXFAUEAUZPNF-HSZRJFAPSA-N 1 1 413.477 3.931 40 0 HHABMO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)c2ccc(NC(=O)C4CC4)cc2)C3)s1 ZINC000585101923 559025082 /nfs/dbraw/zinc/02/50/82/559025082.db2.gz LRWIPURUICPMSW-HSZRJFAPSA-N 1 1 424.570 3.681 40 0 HHABMO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)c2ccc(NC(=O)C4CC4)cc2)C3)s1 ZINC000585101923 559025084 /nfs/dbraw/zinc/02/50/84/559025084.db2.gz LRWIPURUICPMSW-HSZRJFAPSA-N 1 1 424.570 3.681 40 0 HHABMO CC(C)c1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)C4CC(O)C4)[C@H]3C2)cc1 ZINC000585109782 559029512 /nfs/dbraw/zinc/02/95/12/559029512.db2.gz UBWCCBPXXQIHBS-PZDSIAHKSA-N 1 1 404.554 3.967 40 0 HHABMO O=C(Cc1cccc(F)c1)N1CCC2(C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000585113512 559031388 /nfs/dbraw/zinc/03/13/88/559031388.db2.gz VNZSGCKVCHNYQO-SANMLTNESA-N 1 1 422.544 3.900 40 0 HHABMO CCCN(CCOC)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2Cc1ccccc1 ZINC000096062594 559094300 /nfs/dbraw/zinc/09/43/00/559094300.db2.gz BHXUZUCYDZAVOI-ILBGXUMGSA-N 1 1 408.542 3.572 40 0 HHABMO CCCN(CCOC)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2Cc1ccccc1 ZINC000096062594 559094301 /nfs/dbraw/zinc/09/43/01/559094301.db2.gz BHXUZUCYDZAVOI-ILBGXUMGSA-N 1 1 408.542 3.572 40 0 HHABMO O=C(c1cscn1)N1C[C@@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000096245486 559105024 /nfs/dbraw/zinc/10/50/24/559105024.db2.gz POQRKMBFEKVMSZ-OYRHEFFESA-N 1 1 403.551 3.979 40 0 HHABMO Cc1cnn(CCOc2cccc(C[N@H+]3CCC[C@](O)(COc4ccccc4)C3)c2)c1 ZINC000585271809 559117770 /nfs/dbraw/zinc/11/77/70/559117770.db2.gz OSONZDJBBRLLOY-RUZDIDTESA-N 1 1 421.541 3.676 40 0 HHABMO COc1ccc(OCCc2cc([C@@H]3C[N@H+](CCc4ccccc4)CCO3)[nH]n2)cc1 ZINC000257201662 559282393 /nfs/dbraw/zinc/28/23/93/559282393.db2.gz AILVQVMYXDDDDS-DEOSSOPVSA-N 1 1 407.514 3.656 40 0 HHABMO COc1ccc(OCCc2cc([C@@H]3C[N@@H+](CCc4ccccc4)CCO3)[nH]n2)cc1 ZINC000257201662 559282395 /nfs/dbraw/zinc/28/23/95/559282395.db2.gz AILVQVMYXDDDDS-DEOSSOPVSA-N 1 1 407.514 3.656 40 0 HHABMO Cc1ccc(OCC2(O)CC[NH+](CC(=O)NC(C)(C)Cc3ccccc3)CC2)c(C)c1 ZINC000257245323 559284456 /nfs/dbraw/zinc/28/44/56/559284456.db2.gz IOZDNIBWNDEXMV-UHFFFAOYSA-N 1 1 424.585 3.647 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161793 560601906 /nfs/dbraw/zinc/60/19/06/560601906.db2.gz OBLZWGAQPNKKDH-YWZLYKJASA-N 1 1 408.550 3.789 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161793 560601908 /nfs/dbraw/zinc/60/19/08/560601908.db2.gz OBLZWGAQPNKKDH-YWZLYKJASA-N 1 1 408.550 3.789 40 0 HHABMO COc1cc(NC(=O)c2cccc(C)c2)c(OC)cc1NC(=O)C[NH+]1CCCCC1 ZINC000004231850 560603091 /nfs/dbraw/zinc/60/30/91/560603091.db2.gz CWHPCVUWPBDYDN-UHFFFAOYSA-N 1 1 411.502 3.689 40 0 HHABMO O=C(Cc1ccccc1)NC1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000004909185 560617989 /nfs/dbraw/zinc/61/79/89/560617989.db2.gz SHGGZYMCQBCKGK-UHFFFAOYSA-N 1 1 401.510 3.602 40 0 HHABMO O=C(C[NH+]1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccc(F)c(Cl)c1 ZINC000004968218 560622360 /nfs/dbraw/zinc/62/23/60/560622360.db2.gz KPJKBUNSDTZNLJ-UHFFFAOYSA-N 1 1 405.836 3.639 40 0 HHABMO COc1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000015972533 560857738 /nfs/dbraw/zinc/85/77/38/560857738.db2.gz YVUFEZLYZUOAFD-WSCWJOSJSA-N 1 1 405.498 3.582 40 0 HHABMO CSc1ccc(-c2nc(N3CC[NH+](C)CC3)nc3c2C(=O)c2ccccc2-3)cc1 ZINC000017082519 560862153 /nfs/dbraw/zinc/86/21/53/560862153.db2.gz MPXZPZDHOOOXAJ-UHFFFAOYSA-N 1 1 402.523 3.829 40 0 HHABMO COC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000219420692 568491702 /nfs/dbraw/zinc/49/17/02/568491702.db2.gz LCDNZSXEEWWEMS-UHFFFAOYSA-N 1 1 413.345 3.617 40 0 HHABMO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224741981 568594660 /nfs/dbraw/zinc/59/46/60/568594660.db2.gz HUMYJMNPSKPZRF-OAQYLSRUSA-N 1 1 402.922 3.646 40 0 HHABMO O=C(CSCc1ccc(Cl)cc1F)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224753956 568595407 /nfs/dbraw/zinc/59/54/07/568595407.db2.gz GZDMEUJQAQCMAA-UHFFFAOYSA-N 1 1 422.953 3.861 40 0 HHABMO Cc1cc(Nc2cnccn2)cc(C2CCN(CC(=O)N(C)C3CCCCC3)CC2)[nH+]1 ZINC000257215279 568780600 /nfs/dbraw/zinc/78/06/00/568780600.db2.gz CPLVEFJDYKEDSD-UHFFFAOYSA-N 1 1 422.577 3.894 40 0 HHABMO Cc1cc(Nc2cnccn2)cc(C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000257239743 568787531 /nfs/dbraw/zinc/78/75/31/568787531.db2.gz HQPSFJMZEKMMPM-UHFFFAOYSA-N 1 1 422.577 3.750 40 0 HHABMO COCCc1ncc(C[N@H+]2CC[C@H](c3cc(Nc4ccc(F)cn4)cc(C)n3)C2)cn1 ZINC000257245975 568789116 /nfs/dbraw/zinc/78/91/16/568789116.db2.gz IRYAAFGRTCZHEW-SFHVURJKSA-N 1 1 422.508 3.636 40 0 HHABMO Cc1c(F)cccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1 ZINC000257252163 568790879 /nfs/dbraw/zinc/79/08/79/568790879.db2.gz JTTXBAKGDKMJPX-FGZHOGPDSA-N 1 1 409.505 3.728 40 0 HHABMO Cc1c(F)cccc1NC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1 ZINC000257252163 568790880 /nfs/dbraw/zinc/79/08/80/568790880.db2.gz JTTXBAKGDKMJPX-FGZHOGPDSA-N 1 1 409.505 3.728 40 0 HHABMO CCc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(Nc4cccc(C)n4)cc(C)[nH+]3)C2)o1 ZINC000257255558 568791752 /nfs/dbraw/zinc/79/17/52/568791752.db2.gz KHYGGVPYQXTIRT-LJQANCHMSA-N 1 1 421.501 3.910 40 0 HHABMO Cc1nc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257267285 568794830 /nfs/dbraw/zinc/79/48/30/568794830.db2.gz MGPZKMXPCHIEOA-GOSISDBHSA-N 1 1 400.954 3.803 40 0 HHABMO Cc1c(F)cccc1NC(=O)C[NH+]1CCC(c2ccnc(Nc3ccccn3)n2)CC1 ZINC000257268194 568795266 /nfs/dbraw/zinc/79/52/66/568795266.db2.gz MKQMSNUCTKNFAF-UHFFFAOYSA-N 1 1 420.492 3.881 40 0 HHABMO CNC(=O)c1sc2nc([C@H]3CCC[N@@H+]3Cc3cc(F)ccc3F)ccc2c1N ZINC000257281320 568798953 /nfs/dbraw/zinc/79/89/53/568798953.db2.gz OOPQDBYZZGKDLN-MRXNPFEDSA-N 1 1 402.470 3.853 40 0 HHABMO CNC(=O)c1sc2nc([C@H]3CCC[N@H+]3Cc3cc(F)ccc3F)ccc2c1N ZINC000257281320 568798955 /nfs/dbraw/zinc/79/89/55/568798955.db2.gz OOPQDBYZZGKDLN-MRXNPFEDSA-N 1 1 402.470 3.853 40 0 HHABMO COCCc1ncc(CN2CCC(c3cc(Nc4ccccn4)cc(C)[nH+]3)CC2)cn1 ZINC000257297935 568803842 /nfs/dbraw/zinc/80/38/42/568803842.db2.gz RJKVGXRKBLCSPN-UHFFFAOYSA-N 1 1 418.545 3.887 40 0 HHABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1-c1ccccc1OC ZINC000257303734 568805748 /nfs/dbraw/zinc/80/57/48/568805748.db2.gz SILYGNQPXABSBM-RUZDIDTESA-N 1 1 401.510 3.995 40 0 HHABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1-c1ccccc1OC ZINC000257303734 568805749 /nfs/dbraw/zinc/80/57/49/568805749.db2.gz SILYGNQPXABSBM-RUZDIDTESA-N 1 1 401.510 3.995 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccc(OC)c4)C[C@H]32)cc1 ZINC000306123152 568886436 /nfs/dbraw/zinc/88/64/36/568886436.db2.gz AFSJFKAZZFBECZ-BJKOFHAPSA-N 1 1 417.509 3.587 40 0 HHABMO Cc1cc(C(=O)N2CCN(C)[C@@H](c3[nH+]cn4cc(-c5cccnc5)ccc34)C2)c(C)o1 ZINC000306128044 568890751 /nfs/dbraw/zinc/89/07/51/568890751.db2.gz GOPGDCCKOBTFOQ-JOCHJYFZSA-N 1 1 415.497 3.735 40 0 HHABMO COc1cccc(C[N@H+]2C[C@H]3[C@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)c1 ZINC000306128276 568891149 /nfs/dbraw/zinc/89/11/49/568891149.db2.gz GVVMNHSXINQNPB-GOTSBHOMSA-N 1 1 405.473 3.717 40 0 HHABMO COc1ccccc1C[N@@H+]1CCN(C)[C@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306129396 568891872 /nfs/dbraw/zinc/89/18/72/568891872.db2.gz IBWCTUUNVNKAMW-QHCPKHFHSA-N 1 1 413.525 3.894 40 0 HHABMO COc1ccccc1C[N@H+]1CCN(C)[C@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306129396 568891874 /nfs/dbraw/zinc/89/18/74/568891874.db2.gz IBWCTUUNVNKAMW-QHCPKHFHSA-N 1 1 413.525 3.894 40 0 HHABMO Cc1cccc(C[NH+]2CCN(c3nccn4c(-c5cccc(F)c5)cnc34)CC2)n1 ZINC000306130375 568892792 /nfs/dbraw/zinc/89/27/92/568892792.db2.gz JECJEJGKXKOVGW-UHFFFAOYSA-N 1 1 402.477 3.561 40 0 HHABMO COc1ccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306131789 568894195 /nfs/dbraw/zinc/89/41/95/568894195.db2.gz KPTGHWJOPKTPSZ-RDGATRHJSA-N 1 1 422.573 3.701 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccc(Cl)cc4)C[C@H]32)cs1 ZINC000306132394 568894564 /nfs/dbraw/zinc/89/45/64/568894564.db2.gz LHJBXLIJPHENTM-VQTJNVASSA-N 1 1 412.946 3.988 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccc(Cl)cc4)C[C@H]32)cs1 ZINC000306132394 568894567 /nfs/dbraw/zinc/89/45/67/568894567.db2.gz LHJBXLIJPHENTM-VQTJNVASSA-N 1 1 412.946 3.988 40 0 HHABMO COc1cccc(C[N@H+]2CC[C@@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)c1 ZINC000306139640 568901658 /nfs/dbraw/zinc/90/16/58/568901658.db2.gz TWLPSFHIBTUMQQ-QHCPKHFHSA-N 1 1 405.523 3.956 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccc(F)cc4)C[C@H]32)cc1 ZINC000306142643 568904211 /nfs/dbraw/zinc/90/42/11/568904211.db2.gz XFKHANSNBGKSCT-XZOQPEGZSA-N 1 1 405.473 3.717 40 0 HHABMO C[C@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 ZINC000248104923 569316206 /nfs/dbraw/zinc/31/62/06/569316206.db2.gz FSGUBIJXAQJZLO-AZUAARDMSA-N 1 1 418.541 3.556 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)c1OC ZINC000019567738 569345631 /nfs/dbraw/zinc/34/56/31/569345631.db2.gz NYOKLTCMXIMYEY-VQIMIIECSA-N 1 1 415.559 3.640 40 0 HHABMO COc1ccc2c(C[N@@H+]3CCO[C@@H](c4ccc(-c5cnn(C)c5)cn4)C3)cn(C)c2c1 ZINC000019693800 569346544 /nfs/dbraw/zinc/34/65/44/569346544.db2.gz UGLJAGQYVHPMRZ-XMMPIXPASA-N 1 1 417.513 3.556 40 0 HHABMO COc1ccc2c(C[N@H+]3CCO[C@@H](c4ccc(-c5cnn(C)c5)cn4)C3)cn(C)c2c1 ZINC000019693800 569346545 /nfs/dbraw/zinc/34/65/45/569346545.db2.gz UGLJAGQYVHPMRZ-XMMPIXPASA-N 1 1 417.513 3.556 40 0 HHABMO CCc1nc(-c2cncnc2[C@@H]2C[N@H+](Cc3c(C)cc(OC)c(C)c3C)CCO2)no1 ZINC000019693768 569346549 /nfs/dbraw/zinc/34/65/49/569346549.db2.gz LFGWSNKFYWJJLC-FQEVSTJZSA-N 1 1 423.517 3.596 40 0 HHABMO CCc1nc(-c2cncnc2[C@@H]2C[N@@H+](Cc3c(C)cc(OC)c(C)c3C)CCO2)no1 ZINC000019693768 569346550 /nfs/dbraw/zinc/34/65/50/569346550.db2.gz LFGWSNKFYWJJLC-FQEVSTJZSA-N 1 1 423.517 3.596 40 0 HHABMO CSc1ccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)cc1 ZINC000012143362 132354882 /nfs/dbraw/zinc/35/48/82/132354882.db2.gz IBCNZVGOSGRPRR-QFIPXVFZSA-N 1 1 408.571 3.546 40 0 HHABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc3c(c2)n(C)c(=O)n3C)s1 ZINC000043277896 524406913 /nfs/dbraw/zinc/40/69/13/524406913.db2.gz RTZZLKHWVJSAGJ-UHFFFAOYSA-N 1 1 409.559 3.536 40 0 HHABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3)cc2Cl)CC1 ZINC000006241941 557695719 /nfs/dbraw/zinc/69/57/19/557695719.db2.gz UWTHDVVZRSFLJG-UHFFFAOYSA-N 1 1 402.951 3.609 40 0 HHABMO COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020110200 558335178 /nfs/dbraw/zinc/33/51/78/558335178.db2.gz PWZACIZLWRQQNV-IBGZPJMESA-N 1 1 423.557 3.937 40 0 HHABMO Cc1cc(-c2cnc(N3CCCCC3)nc2C2CC[NH+](Cc3nccn3C)CC2)on1 ZINC000019123303 558844032 /nfs/dbraw/zinc/84/40/32/558844032.db2.gz HBSKVGUDVJTWFV-UHFFFAOYSA-N 1 1 421.549 3.543 40 0 HHABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CC[C@@H](c2nc(C(C)C)cc(C(F)(F)F)n2)C1 ZINC000019287663 558861069 /nfs/dbraw/zinc/86/10/69/558861069.db2.gz GHXXKJOUKYMICV-UKRRQHHQSA-N 1 1 409.456 3.776 40 0 HHABMO Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000019290179 558862735 /nfs/dbraw/zinc/86/27/35/558862735.db2.gz WLTHKWTYGREZHK-HXUWFJFHSA-N 1 1 402.546 3.857 40 0 HHABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019370385 558878600 /nfs/dbraw/zinc/87/86/00/558878600.db2.gz VWTYPWDKTDFTLR-DHLKQENFSA-N 1 1 400.526 3.789 40 0 HHABMO CCC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2OC)C1 ZINC000019499248 558897460 /nfs/dbraw/zinc/89/74/60/558897460.db2.gz KHKJKRFPQFOTBI-MGPUTAFESA-N 1 1 403.548 3.640 40 0 HHABMO CCC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2OC)C1 ZINC000019499245 558897571 /nfs/dbraw/zinc/89/75/71/558897571.db2.gz KHKJKRFPQFOTBI-QRWLVFNGSA-N 1 1 403.548 3.640 40 0 HHABMO CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019499846 558897750 /nfs/dbraw/zinc/89/77/50/558897750.db2.gz IGIJKYZXMNJXEO-UZLBHIALSA-N 1 1 400.567 3.830 40 0 HHABMO CC[C@H]1CCCC[N@H+]1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000019500958 558898772 /nfs/dbraw/zinc/89/87/72/558898772.db2.gz MOCJEIJGQSQJSH-GBESFXJTSA-N 1 1 402.539 3.651 40 0 HHABMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)[C@H]2CCCC[C@@H]21 ZINC000019523650 558904925 /nfs/dbraw/zinc/90/49/25/558904925.db2.gz PLOWIXFIWUSPOP-MQQADFIWSA-N 1 1 411.546 3.941 40 0 HHABMO CCN1CC[N@@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527398 558908505 /nfs/dbraw/zinc/90/85/05/558908505.db2.gz BWSUURNNFUUOSR-XMMPIXPASA-N 1 1 414.553 3.975 40 0 HHABMO CCN1CC[N@@H+](Cc2cccnc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527402 558908545 /nfs/dbraw/zinc/90/85/45/558908545.db2.gz FSYDZQHICVTNCW-XMMPIXPASA-N 1 1 400.526 3.667 40 0 HHABMO CCN1CC[N@@H+](Cc2cccnc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527403 558908601 /nfs/dbraw/zinc/90/86/01/558908601.db2.gz FSYDZQHICVTNCW-DEOSSOPVSA-N 1 1 400.526 3.667 40 0 HHABMO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019528742 558909962 /nfs/dbraw/zinc/90/99/62/558909962.db2.gz AOAHBYWRRJOJMR-XMMPIXPASA-N 1 1 404.514 3.698 40 0 HHABMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c(OC)c1 ZINC000019552327 558915885 /nfs/dbraw/zinc/91/58/85/558915885.db2.gz JPJZNBOYABCUIA-HXUWFJFHSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c(OC)c1 ZINC000019552327 558915887 /nfs/dbraw/zinc/91/58/87/558915887.db2.gz JPJZNBOYABCUIA-HXUWFJFHSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1OC ZINC000019561031 558921982 /nfs/dbraw/zinc/92/19/82/558921982.db2.gz PBTIEZRENFXAJL-IBGZPJMESA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1OC ZINC000019561031 558921985 /nfs/dbraw/zinc/92/19/85/558921985.db2.gz PBTIEZRENFXAJL-IBGZPJMESA-N 1 1 406.486 3.989 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@H](c3nnc(-c4scnc4C)o3)C2)c1OC ZINC000019562816 558923374 /nfs/dbraw/zinc/92/33/74/558923374.db2.gz PXUMYRVWZNWLLZ-HNNXBMFYSA-N 1 1 400.504 3.898 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)cc1 ZINC000072337784 558938079 /nfs/dbraw/zinc/93/80/79/558938079.db2.gz NEVQXBZFGBLFPC-RXVVDRJESA-N 1 1 422.554 3.930 40 0 HHABMO COc1cccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3cccnc3)CC2)c1 ZINC000072340663 558939342 /nfs/dbraw/zinc/93/93/42/558939342.db2.gz SJTBEHFDMDRYLY-XMMPIXPASA-N 1 1 407.489 3.633 40 0 HHABMO COc1coc(C(=O)N(C)C2CCC3(CC2)C[N@@H+](C)Cc2ccccc2O3)c1OC ZINC000019590882 558940934 /nfs/dbraw/zinc/94/09/34/558940934.db2.gz BKSRXBLNQUXGRZ-UHFFFAOYSA-N 1 1 414.502 3.575 40 0 HHABMO CNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019591323 558941743 /nfs/dbraw/zinc/94/17/43/558941743.db2.gz LXFWPVDHPDVZRO-VWLOTQADSA-N 1 1 400.526 3.715 40 0 HHABMO Cc1nc(N)nc(C)c1CCC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000019654532 558947731 /nfs/dbraw/zinc/94/77/31/558947731.db2.gz YHDJDUNMBKNHPJ-UHFFFAOYSA-N 1 1 401.514 3.763 40 0 HHABMO Cc1nc(N)nc(C)c1CCC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000019654532 558947734 /nfs/dbraw/zinc/94/77/34/558947734.db2.gz YHDJDUNMBKNHPJ-UHFFFAOYSA-N 1 1 401.514 3.763 40 0 HHABMO COc1ccc(CC(=O)N2CC[N@H+](C3CCCC3)C[C@@H](Cc3ccccn3)C2)cc1 ZINC000072355164 558952502 /nfs/dbraw/zinc/95/25/02/558952502.db2.gz GMXFEVCUPCEVRX-OAQYLSRUSA-N 1 1 407.558 3.578 40 0 HHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 ZINC000019688563 558958148 /nfs/dbraw/zinc/95/81/48/558958148.db2.gz FSBHEUQYLAWZEW-SFHVURJKSA-N 1 1 401.501 3.998 40 0 HHABMO COc1ccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4cnc(C(C)C)nc4)C3)[nH]n2)cc1 ZINC000072371730 558958752 /nfs/dbraw/zinc/95/87/52/558958752.db2.gz HXNQHWYRNQQLME-LJQANCHMSA-N 1 1 421.545 3.943 40 0 HHABMO COc1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 ZINC000072371730 558958754 /nfs/dbraw/zinc/95/87/54/558958754.db2.gz HXNQHWYRNQQLME-LJQANCHMSA-N 1 1 421.545 3.943 40 0 HHABMO COc1ccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 ZINC000072371730 558958757 /nfs/dbraw/zinc/95/87/57/558958757.db2.gz HXNQHWYRNQQLME-LJQANCHMSA-N 1 1 421.545 3.943 40 0 HHABMO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+]2Cc2cnn(C)c2C)c1 ZINC000019689387 558958753 /nfs/dbraw/zinc/95/87/53/558958753.db2.gz YEKJPXODTJBOAL-NRFANRHFSA-N 1 1 406.534 3.597 40 0 HHABMO CC(C)Nc1n[nH]c2nc([C@H]3CCC[N@@H+]3CC(=O)N3CCCc4ccccc43)ccc12 ZINC000072374502 558962217 /nfs/dbraw/zinc/96/22/17/558962217.db2.gz QKWVAUUUNBHJAE-OAQYLSRUSA-N 1 1 418.545 3.895 40 0 HHABMO CC(C)Nc1n[nH]c2nc([C@H]3CCC[N@H+]3CC(=O)N3CCCc4ccccc43)ccc12 ZINC000072374502 558962219 /nfs/dbraw/zinc/96/22/19/558962219.db2.gz QKWVAUUUNBHJAE-OAQYLSRUSA-N 1 1 418.545 3.895 40 0 HHABMO Cn1c(CNc2[nH]nc3nc([C@H]4CCC[NH2+]4)cc(C(F)(F)F)c32)nc2ccccc21 ZINC000072380745 558968938 /nfs/dbraw/zinc/96/89/38/558968938.db2.gz ALRODYKVCLUMLA-GFCCVEGCSA-N 1 1 415.423 3.900 40 0 HHABMO CCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2OC)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395736 558974852 /nfs/dbraw/zinc/97/48/52/558974852.db2.gz ABSZVJNMAAOBKA-YADHBBJMSA-N 1 1 421.541 3.690 40 0 HHABMO CCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395737 558974867 /nfs/dbraw/zinc/97/48/67/558974867.db2.gz ABJYKGWFHXZKQU-IRLDBZIGSA-N 1 1 409.505 3.820 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CC3)c3ccccn3)C2)c(OC)c1 ZINC000072398553 558976049 /nfs/dbraw/zinc/97/60/49/558976049.db2.gz RRHPAUUBXJDDLQ-XXBNENTESA-N 1 1 409.530 3.578 40 0 HHABMO CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000072399116 558976494 /nfs/dbraw/zinc/97/64/94/558976494.db2.gz HDBGDLYGPLDCSN-SFHVURJKSA-N 1 1 400.548 3.656 40 0 HHABMO CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000072399116 558976497 /nfs/dbraw/zinc/97/64/97/558976497.db2.gz HDBGDLYGPLDCSN-SFHVURJKSA-N 1 1 400.548 3.656 40 0 HHABMO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000019715547 558976792 /nfs/dbraw/zinc/97/67/92/558976792.db2.gz CZBUDOQXTYZVBX-SFHVURJKSA-N 1 1 408.550 3.786 40 0 HHABMO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000019715547 558976794 /nfs/dbraw/zinc/97/67/94/558976794.db2.gz CZBUDOQXTYZVBX-SFHVURJKSA-N 1 1 408.550 3.786 40 0 HHABMO O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000019717942 558981021 /nfs/dbraw/zinc/98/10/21/558981021.db2.gz HYIXFAUEAUZPNF-QHCPKHFHSA-N 1 1 413.477 3.931 40 0 HHABMO O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000019717942 558981025 /nfs/dbraw/zinc/98/10/25/558981025.db2.gz HYIXFAUEAUZPNF-QHCPKHFHSA-N 1 1 413.477 3.931 40 0 HHABMO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)C[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000257367401 559017815 /nfs/dbraw/zinc/01/78/15/559017815.db2.gz IVJYZQQPTKUMQX-LQBJFXQCSA-N 1 1 400.563 3.824 40 0 HHABMO CN(C)c1ccc(C(=O)N2CCC[C@]3(CC[N@H+]3C[C@@H]3CCCO3)C2)c2ccccc21 ZINC000585101944 559025032 /nfs/dbraw/zinc/02/50/32/559025032.db2.gz NBHQEGVWMSRCNP-DFBJGRDBSA-N 1 1 407.558 3.765 40 0 HHABMO CC(C)(C)CCNC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101957 559025049 /nfs/dbraw/zinc/02/50/49/559025049.db2.gz KZSGGDKKUFQAMO-JOCHJYFZSA-N 1 1 424.589 3.653 40 0 HHABMO O=C(Cc1ccccc1)N1CCC2(C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000585113442 559031257 /nfs/dbraw/zinc/03/12/57/559031257.db2.gz HZBBVSFZDAXYDG-AREMUKBSSA-N 1 1 404.554 3.760 40 0 HHABMO O=C(Cc1cccc(F)c1)N1CCC2(C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000585113511 559031390 /nfs/dbraw/zinc/03/13/90/559031390.db2.gz VNZSGCKVCHNYQO-AREMUKBSSA-N 1 1 422.544 3.900 40 0 HHABMO CCCN(CCOC)C(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2Cc1ccccc1 ZINC000096062593 559094125 /nfs/dbraw/zinc/09/41/25/559094125.db2.gz BHXUZUCYDZAVOI-UKILVPOCSA-N 1 1 408.542 3.572 40 0 HHABMO CCCN(CCOC)C(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2Cc1ccccc1 ZINC000096062593 559094127 /nfs/dbraw/zinc/09/41/27/559094127.db2.gz BHXUZUCYDZAVOI-UKILVPOCSA-N 1 1 408.542 3.572 40 0 HHABMO COc1cccc(-c2ccc3cc(C(=O)N4CC[NH+](C)CC4)c(-c4cocn4)n3c2)c1 ZINC000096155538 559099731 /nfs/dbraw/zinc/09/97/31/559099731.db2.gz FVVXICJAGAWVAS-UHFFFAOYSA-N 1 1 416.481 3.658 40 0 HHABMO COc1cccc(CC(=O)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC000096221025 559102000 /nfs/dbraw/zinc/10/20/00/559102000.db2.gz YCNXFWRTTVANLL-JOCHJYFZSA-N 1 1 408.542 3.520 40 0 HHABMO COc1ncccc1C[N@@H+]1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000096242529 559104118 /nfs/dbraw/zinc/10/41/18/559104118.db2.gz XTVAQNRTXHJFRE-UHFFFAOYSA-N 1 1 417.509 3.873 40 0 HHABMO COc1ncccc1C[N@H+]1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000096242529 559104120 /nfs/dbraw/zinc/10/41/20/559104120.db2.gz XTVAQNRTXHJFRE-UHFFFAOYSA-N 1 1 417.509 3.873 40 0 HHABMO C[N@H+]1CCCN(C(=O)c2ccc3onc(-c4coc(-c5ccccc5)n4)c3c2)CC1 ZINC000096266472 559107729 /nfs/dbraw/zinc/10/77/29/559107729.db2.gz VAHSLQVYUNBLCR-UHFFFAOYSA-N 1 1 402.454 3.928 40 0 HHABMO CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2CC1(O)CCN(c2ccc(C)cc2)CC1 ZINC000585262771 559111036 /nfs/dbraw/zinc/11/10/36/559111036.db2.gz DKIKZOWBNHQLLC-ZEQRLZLVSA-N 1 1 413.606 3.582 40 0 HHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cc2)C1 ZINC000113947953 559182675 /nfs/dbraw/zinc/18/26/75/559182675.db2.gz GKBTXSBYLDPFEO-HXUWFJFHSA-N 1 1 406.574 3.923 40 0 HHABMO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)C1 ZINC000113947953 559182677 /nfs/dbraw/zinc/18/26/77/559182677.db2.gz GKBTXSBYLDPFEO-HXUWFJFHSA-N 1 1 406.574 3.923 40 0 HHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)C1 ZINC000113947953 559182679 /nfs/dbraw/zinc/18/26/79/559182679.db2.gz GKBTXSBYLDPFEO-HXUWFJFHSA-N 1 1 406.574 3.923 40 0 HHABMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2nc(N)ncc2-c2ccccc2)cc1 ZINC000072376844 559186591 /nfs/dbraw/zinc/18/65/91/559186591.db2.gz COLHHJQGYAGMHR-NRFANRHFSA-N 1 1 417.513 3.900 40 0 HHABMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2c2nc(N)ncc2-c2ccccc2)cc1 ZINC000072376844 559186592 /nfs/dbraw/zinc/18/65/92/559186592.db2.gz COLHHJQGYAGMHR-NRFANRHFSA-N 1 1 417.513 3.900 40 0 HHABMO CCN1CC[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000226069914 559272797 /nfs/dbraw/zinc/27/27/97/559272797.db2.gz RJTBDPRPIQSYQY-QFIPXVFZSA-N 1 1 420.638 3.794 40 0 HHABMO O=C1CO[C@@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1ccc3[nH]ccc3c1)CC2 ZINC000257339498 559283458 /nfs/dbraw/zinc/28/34/58/559283458.db2.gz ZBZOQHDWLRMMFT-SANMLTNESA-N 1 1 417.553 3.994 40 0 HHABMO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257273015 559285011 /nfs/dbraw/zinc/28/50/11/559285011.db2.gz NEXIUHNZIOUSFS-ISKFKSNPSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1ccc(F)cc1NC(=O)C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257273015 559285013 /nfs/dbraw/zinc/28/50/13/559285013.db2.gz NEXIUHNZIOUSFS-ISKFKSNPSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)cc2c1 ZINC000000888880 560542082 /nfs/dbraw/zinc/54/20/82/560542082.db2.gz BKNQWECHYXSZMQ-OAQYLSRUSA-N 1 1 406.534 3.904 40 0 HHABMO Cc1ccc2cc(C[N@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000926069 560556969 /nfs/dbraw/zinc/55/69/69/560556969.db2.gz YRNPKGJYGFQQEB-UHFFFAOYSA-N 1 1 408.550 3.913 40 0 HHABMO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000926069 560556970 /nfs/dbraw/zinc/55/69/70/560556970.db2.gz YRNPKGJYGFQQEB-UHFFFAOYSA-N 1 1 408.550 3.913 40 0 HHABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000013768266 560827765 /nfs/dbraw/zinc/82/77/65/560827765.db2.gz ZVKBSENSURYYII-YFNKSVMNSA-N 1 1 400.563 3.812 40 0 HHABMO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1C ZINC000017090940 560865676 /nfs/dbraw/zinc/86/56/76/560865676.db2.gz OCNLBAZKRWZGKX-UHFFFAOYSA-N 1 1 416.978 3.835 40 0 HHABMO CC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020139386 560881101 /nfs/dbraw/zinc/88/11/01/560881101.db2.gz QNQGVUREXAPUQK-NRFANRHFSA-N 1 1 424.980 3.989 40 0 HHABMO O=C(NCCOc1ccccc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000224546768 568584631 /nfs/dbraw/zinc/58/46/31/568584631.db2.gz YQHYKMVHSLVFLS-UHFFFAOYSA-N 1 1 417.347 3.856 40 0 HHABMO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224575400 568586016 /nfs/dbraw/zinc/58/60/16/568586016.db2.gz ZIEGDPMAVCXKIZ-OAQYLSRUSA-N 1 1 402.922 3.646 40 0 HHABMO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224585530 568586316 /nfs/dbraw/zinc/58/63/16/568586316.db2.gz GDSGXZWQFTTXNN-QFIPXVFZSA-N 1 1 416.949 3.954 40 0 HHABMO COc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000225900922 568684449 /nfs/dbraw/zinc/68/44/49/568684449.db2.gz NYFMIXVIFJCCGE-FQEVSTJZSA-N 1 1 412.530 3.583 40 0 HHABMO CCOC(=O)N1C[C@]2(NC(C)=O)CC[N@@H+](Cc3ccccc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000226076099 568693045 /nfs/dbraw/zinc/69/30/45/568693045.db2.gz NTKAEMXYUGWFRO-VDKIKQQVSA-N 1 1 421.541 3.597 40 0 HHABMO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1 ZINC000257281400 568798992 /nfs/dbraw/zinc/79/89/92/568798992.db2.gz OOZGAOPUARDUKY-CQSZACIVSA-N 1 1 401.561 3.682 40 0 HHABMO COCCNc1nc([C@@H]2CCC[N@H+](CC(=O)NC3CCCCC3)C2)cc2ccccc21 ZINC000257281893 568799173 /nfs/dbraw/zinc/79/91/73/568799173.db2.gz ORJDRIIFYCKOOF-HXUWFJFHSA-N 1 1 424.589 3.921 40 0 HHABMO COCCNc1nc([C@@H]2CCC[N@@H+](CC(=O)NC3CCCCC3)C2)cc2ccccc21 ZINC000257281893 568799176 /nfs/dbraw/zinc/79/91/76/568799176.db2.gz ORJDRIIFYCKOOF-HXUWFJFHSA-N 1 1 424.589 3.921 40 0 HHABMO CN(C)C(=O)c1sc2nc([C@@]3(C)CCC[N@@H+](Cc4cncs4)C3)ccc2c1N ZINC000257290676 568801680 /nfs/dbraw/zinc/80/16/80/568801680.db2.gz QDXAKIPAHXNMFM-FQEVSTJZSA-N 1 1 415.588 3.591 40 0 HHABMO CCCN1CC[N@H+](Cc2[nH]cnc2C)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257309026 568807183 /nfs/dbraw/zinc/80/71/83/568807183.db2.gz TZGDBMRQUBUWRV-QFIPXVFZSA-N 1 1 417.557 3.693 40 0 HHABMO CCCN1CC[N@@H+](Cc2[nH]cnc2C)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257309026 568807185 /nfs/dbraw/zinc/80/71/85/568807185.db2.gz TZGDBMRQUBUWRV-QFIPXVFZSA-N 1 1 417.557 3.693 40 0 HHABMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@@H+](CCc2ccccc2)Cc2cccs2)C1 ZINC000257331220 568813507 /nfs/dbraw/zinc/81/35/07/568813507.db2.gz XRWKUSATQJXDRF-WOJBJXKFSA-N 1 1 402.560 3.773 40 0 HHABMO CC(C)(C)Oc1ccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(NC4CC4)nc23)cc1 ZINC000306123583 568886861 /nfs/dbraw/zinc/88/68/61/568886861.db2.gz AQWWRMSKOULGLX-DEOSSOPVSA-N 1 1 408.546 3.902 40 0 HHABMO Clc1cccc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306129932 568892281 /nfs/dbraw/zinc/89/22/81/568892281.db2.gz IRCYABBMVSIKGV-SFHVURJKSA-N 1 1 411.937 3.599 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@H]32)cs1 ZINC000306132817 568895174 /nfs/dbraw/zinc/89/51/74/568895174.db2.gz LTAAAYYJQPUQLB-VQTJNVASSA-N 1 1 412.946 3.988 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@H]32)cs1 ZINC000306132817 568895175 /nfs/dbraw/zinc/89/51/75/568895175.db2.gz LTAAAYYJQPUQLB-VQTJNVASSA-N 1 1 412.946 3.988 40 0 HHABMO Cc1ncsc1C[NH+]1CCN(c2nccn3c(-c4cccc(F)c4)cnc23)CC1 ZINC000306135502 568897548 /nfs/dbraw/zinc/89/75/48/568897548.db2.gz OTHUAMMHWCPSOH-UHFFFAOYSA-N 1 1 408.506 3.623 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccc(C)c4)C[C@H]32)cc1 ZINC000306135519 568897596 /nfs/dbraw/zinc/89/75/96/568897596.db2.gz OTWKLBWLBVLVFO-DNQXCXABSA-N 1 1 401.510 3.887 40 0 HHABMO Cc1cccc(C(=O)N2CCN(C)[C@H](c3[nH+]cn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306139358 568901167 /nfs/dbraw/zinc/90/11/67/568901167.db2.gz SVHIKVUJXHTONH-QHCPKHFHSA-N 1 1 411.509 3.834 40 0 HHABMO COc1cccc(C[N@H+]2CC[C@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)c1 ZINC000306139639 568901585 /nfs/dbraw/zinc/90/15/85/568901585.db2.gz TWLPSFHIBTUMQQ-HSZRJFAPSA-N 1 1 405.523 3.956 40 0 HHABMO Cn1[n-]c2c(c1=O)C[N@@H+](Cc1ccc(F)cc1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306143629 568905114 /nfs/dbraw/zinc/90/51/14/568905114.db2.gz YHCMKIKETYTJNE-UHFFFAOYSA-N 1 1 420.532 3.814 40 0 HHABMO CCOC[C@]1([NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218633352 568942414 /nfs/dbraw/zinc/94/24/14/568942414.db2.gz NSMLIICRQZEJJM-BZSNNMDCSA-N 1 1 400.327 3.667 40 0 HHABMO CC(C)[C@@H](CO)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C2CC2)[nH+]1 ZINC000328985668 568971467 /nfs/dbraw/zinc/97/14/67/568971467.db2.gz HTYOOEOKHUAXFP-HXUWFJFHSA-N 1 1 410.562 3.573 40 0 HHABMO CC(C)[C@@H](CO)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C2CC2)n1 ZINC000328985668 568971468 /nfs/dbraw/zinc/97/14/68/568971468.db2.gz HTYOOEOKHUAXFP-HXUWFJFHSA-N 1 1 410.562 3.573 40 0 HHABMO C[C@@H](CO)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)[nH+]1 ZINC000329039116 568974078 /nfs/dbraw/zinc/97/40/78/568974078.db2.gz RVLYMKMVHLADDU-LBPRGKRZSA-N 1 1 408.424 3.608 40 0 HHABMO C[C@@H](CO)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C2CC2)n1 ZINC000329039116 568974081 /nfs/dbraw/zinc/97/40/81/568974081.db2.gz RVLYMKMVHLADDU-LBPRGKRZSA-N 1 1 408.424 3.608 40 0 HHABMO CC(C)c1nc(N[C@H](C)CO)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329070876 568975843 /nfs/dbraw/zinc/97/58/43/568975843.db2.gz ZKOQCDTWZWFDCQ-CYBMUJFWSA-N 1 1 405.340 3.718 40 0 HHABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242575113 569034744 /nfs/dbraw/zinc/03/47/44/569034744.db2.gz NSMLIICRQZEJJM-KURKYZTESA-N 1 1 400.327 3.667 40 0 HHABMO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2OC)C1 ZINC000227306276 569285179 /nfs/dbraw/zinc/28/51/79/569285179.db2.gz KWNXCXWEGLHDPT-AUSIDOKSSA-N 1 1 411.546 3.505 40 0 HHABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cc(OC)c1OC ZINC000247908449 569315722 /nfs/dbraw/zinc/31/57/22/569315722.db2.gz TVBPJBMXYGMPJD-NVVBAYIOSA-N 1 1 401.478 3.581 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c1OC ZINC000019567726 569345654 /nfs/dbraw/zinc/34/56/54/569345654.db2.gz QUDIYISPMHIWQV-XMSQKQJNSA-N 1 1 409.530 3.578 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)cc1OC ZINC000019560956 569345682 /nfs/dbraw/zinc/34/56/82/569345682.db2.gz XNXDUYBJVOOIQD-YLJYHZDGSA-N 1 1 415.559 3.640 40 0 HHABMO COc1ccc2c(C[N@@H+]3CCO[C@H](c4ccc(-c5cnn(C)c5)cn4)C3)cn(C)c2c1 ZINC000019693801 569346616 /nfs/dbraw/zinc/34/66/16/569346616.db2.gz UGLJAGQYVHPMRZ-DEOSSOPVSA-N 1 1 417.513 3.556 40 0 HHABMO COc1ccc2c(C[N@H+]3CCO[C@H](c4ccc(-c5cnn(C)c5)cn4)C3)cn(C)c2c1 ZINC000019693801 569346617 /nfs/dbraw/zinc/34/66/17/569346617.db2.gz UGLJAGQYVHPMRZ-DEOSSOPVSA-N 1 1 417.513 3.556 40 0 HHABMO COc1ccc(-c2nc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)[nH]c2C(N)=O)cc1 ZINC000019698969 569346922 /nfs/dbraw/zinc/34/69/22/569346922.db2.gz XQCIUDWNDZNJJQ-IBGZPJMESA-N 1 1 404.514 3.606 40 0 HHABMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702135 569347381 /nfs/dbraw/zinc/34/73/81/569347381.db2.gz AWVAZPUOXFFXHA-DQSGYLJSSA-N 1 1 421.566 3.911 40 0 HHABMO COc1cccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@@H+](CC5CC5)C4)nc32)c1 ZINC000019741421 558262045 /nfs/dbraw/zinc/26/20/45/558262045.db2.gz LQRHSMRMYMAHJW-HXUWFJFHSA-N 1 1 420.557 3.862 40 0 HHABMO C[C@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 ZINC000012144917 558336154 /nfs/dbraw/zinc/33/61/54/558336154.db2.gz FSGUBIJXAQJZLO-ICSRJNTNSA-N 1 1 418.541 3.556 40 0 HHABMO CN(C(=O)C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)C1CCCCC1 ZINC000012184526 558344362 /nfs/dbraw/zinc/34/43/62/558344362.db2.gz LZAVIBXEBHWDNJ-QGZVFWFLSA-N 1 1 405.926 3.676 40 0 HHABMO CN(C(=O)C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1)C1CCCCC1 ZINC000012184526 558344364 /nfs/dbraw/zinc/34/43/64/558344364.db2.gz LZAVIBXEBHWDNJ-QGZVFWFLSA-N 1 1 405.926 3.676 40 0 HHABMO CC1CCC([N@@H+](CC(=O)N2[C@@H]3CC[C@H]2Cc2nnsc23)Cc2ccco2)CC1 ZINC000012235699 558358794 /nfs/dbraw/zinc/35/87/94/558358794.db2.gz VWNFRHCXCFUZMA-IADFQQGMSA-N 1 1 400.548 3.800 40 0 HHABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@@H+](Cc3ccccc3F)C1)O2 ZINC000012407699 558398435 /nfs/dbraw/zinc/39/84/35/558398435.db2.gz CVVADQOJEXTCJE-YADARESESA-N 1 1 412.505 3.856 40 0 HHABMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCCN2CCOCC2)c(OC)c1 ZINC000036741532 558802213 /nfs/dbraw/zinc/80/22/13/558802213.db2.gz QJUNHDBMSPINDY-HXUWFJFHSA-N 1 1 416.587 3.977 40 0 HHABMO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000038831408 558816727 /nfs/dbraw/zinc/81/67/27/558816727.db2.gz BIYOOQXPBNAFJE-UHFFFAOYSA-N 1 1 409.549 3.950 40 0 HHABMO Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCC[N@@H+](Cc3cccnc3)C2)on1 ZINC000019122239 558843729 /nfs/dbraw/zinc/84/37/29/558843729.db2.gz VAWHDFKYAKGKSH-IBGZPJMESA-N 1 1 404.518 3.815 40 0 HHABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 ZINC000019133405 558845822 /nfs/dbraw/zinc/84/58/22/558845822.db2.gz FZRPREJZOLOCOH-UWWQBHOKSA-N 1 1 409.456 3.795 40 0 HHABMO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccc(Oc5ncccn5)cc4)C[C@@H]32)nc1 ZINC000019216123 558850085 /nfs/dbraw/zinc/85/00/85/558850085.db2.gz UPOAEJFTPMJDBD-NHCICSSKSA-N 1 1 402.498 3.702 40 0 HHABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)ccc1OC(F)F ZINC000019215991 558850132 /nfs/dbraw/zinc/85/01/32/558850132.db2.gz JDCWYSFUDBFZEQ-JKSBSHDWSA-N 1 1 404.457 3.730 40 0 HHABMO Cc1cccc(C[N@@H+]2CCN(C)C(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)n1 ZINC000019236287 558855288 /nfs/dbraw/zinc/85/52/88/558855288.db2.gz RJHMSSCWLFLZSO-HSZRJFAPSA-N 1 1 400.526 3.585 40 0 HHABMO Cc1cc(C)n(-c2cccc(C(=O)N3CCC[N@H+](Cc4cccc(C)n4)CC3)c2)n1 ZINC000019236280 558855405 /nfs/dbraw/zinc/85/54/05/558855405.db2.gz NVPWMFTVAVIVOR-UHFFFAOYSA-N 1 1 403.530 3.541 40 0 HHABMO Cc1cc(C)n(-c2cccc(C(=O)N3CCC[N@@H+](Cc4cccc(C)n4)CC3)c2)n1 ZINC000019236280 558855408 /nfs/dbraw/zinc/85/54/08/558855408.db2.gz NVPWMFTVAVIVOR-UHFFFAOYSA-N 1 1 403.530 3.541 40 0 HHABMO COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3F)[C@H](c3cc(=O)[nH]c(C)n3)C2)c1OC ZINC000019285538 558860111 /nfs/dbraw/zinc/86/01/11/558860111.db2.gz JISGHFIRBPEBOK-RBUKOAKNSA-N 1 1 423.488 3.618 40 0 HHABMO Cn1c2ccccc2nc1C[N@@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019289956 558862403 /nfs/dbraw/zinc/86/24/03/558862403.db2.gz MVLQUOIDWVFNFY-MHECFPHRSA-N 1 1 406.505 3.741 40 0 HHABMO Cn1c2ccccc2nc1C[N@H+]1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019289956 558862404 /nfs/dbraw/zinc/86/24/04/558862404.db2.gz MVLQUOIDWVFNFY-MHECFPHRSA-N 1 1 406.505 3.741 40 0 HHABMO Cn1cc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccc(F)cc2)CN3C(=O)c2ccccc2)cn1 ZINC000019290706 558863071 /nfs/dbraw/zinc/86/30/71/558863071.db2.gz ZIAXUUYRNKHTCK-HJOGWXRNSA-N 1 1 418.516 3.690 40 0 HHABMO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccccc1OCc1ccccn1)C2 ZINC000019291415 558863733 /nfs/dbraw/zinc/86/37/33/558863733.db2.gz TYCFDUCIRWPJIC-KEVCNVLYSA-N 1 1 418.541 3.514 40 0 HHABMO O=c1cc([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)nc(-c2cnccn2)[nH]1 ZINC000019292894 558864792 /nfs/dbraw/zinc/86/47/92/558864792.db2.gz IJHLTRMINBBYHH-CQSZACIVSA-N 1 1 416.312 3.913 40 0 HHABMO CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)C(C)(C)C)[nH]c(=O)c3C2)CC1 ZINC000019495971 558894783 /nfs/dbraw/zinc/89/47/83/558894783.db2.gz UKFAYRZDONEYQG-RJYAGPCLSA-N 1 1 400.567 3.829 40 0 HHABMO CCn1nc2c(c1C(=O)Nc1ccc3c(c1)nc(C[NH+]1CCCCC1)n3C)CCCC2 ZINC000019524110 558905431 /nfs/dbraw/zinc/90/54/31/558905431.db2.gz ADRBZNORXBXFFL-UHFFFAOYSA-N 1 1 420.561 3.907 40 0 HHABMO CCN1CC[N@@H+](Cc2cccnc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527718 558909049 /nfs/dbraw/zinc/90/90/49/558909049.db2.gz OEXWWNNEEGQGQR-HSZRJFAPSA-N 1 1 400.526 3.667 40 0 HHABMO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019528743 558909953 /nfs/dbraw/zinc/90/99/53/558909953.db2.gz AOAHBYWRRJOJMR-DEOSSOPVSA-N 1 1 404.514 3.698 40 0 HHABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000019530045 558911223 /nfs/dbraw/zinc/91/12/23/558911223.db2.gz DUFAETVUVTZTPF-GAJHUEQPSA-N 1 1 416.493 3.705 40 0 HHABMO COc1ccc(-c2ncc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3cccnc3)cn2)cc1 ZINC000019558577 558920359 /nfs/dbraw/zinc/92/03/59/558920359.db2.gz WUENHTICLZLIPK-OFFJZUQKSA-N 1 1 416.525 3.667 40 0 HHABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)n(C)n1 ZINC000019562438 558922908 /nfs/dbraw/zinc/92/29/08/558922908.db2.gz AKAXMGWQCWYQRY-UHFFFAOYSA-N 1 1 401.580 3.513 40 0 HHABMO COc1cccc(C[N@H+]2CC[C@@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1 ZINC000019564713 558924885 /nfs/dbraw/zinc/92/48/85/558924885.db2.gz MUEOCEPWZSDPLI-VWLOTQADSA-N 1 1 401.510 3.677 40 0 HHABMO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2oc4ccccc4c2C)C3)c(OC)n1 ZINC000019566330 558926101 /nfs/dbraw/zinc/92/61/01/558926101.db2.gz XHSWTLSDFBYKCD-LDSCYUJKSA-N 1 1 423.513 3.668 40 0 HHABMO Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)n1 ZINC000019573132 558931336 /nfs/dbraw/zinc/93/13/36/558931336.db2.gz MQTUTVSDVSWZLK-GOSISDBHSA-N 1 1 408.550 3.962 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)C[N@H+](Cc2cccnc2)CCO1 ZINC000019580905 558936370 /nfs/dbraw/zinc/93/63/70/558936370.db2.gz BPWSGJIUTIUBMK-AREMUKBSSA-N 1 1 415.537 3.651 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)C[N@@H+](Cc2cccnc2)CCO1 ZINC000019580905 558936373 /nfs/dbraw/zinc/93/63/73/558936373.db2.gz BPWSGJIUTIUBMK-AREMUKBSSA-N 1 1 415.537 3.651 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)c1 ZINC000072337782 558937986 /nfs/dbraw/zinc/93/79/86/558937986.db2.gz DZBKPGVPPVYZQS-RXVVDRJESA-N 1 1 422.554 3.930 40 0 HHABMO COC(=O)[C@@]1(Cc2ccccc2F)C(=O)C[C@@H]2CC[C@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072340199 558939078 /nfs/dbraw/zinc/93/90/78/558939078.db2.gz GWYJRECSVIZORY-SNYIIPAISA-N 1 1 411.473 3.542 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000019591698 558942430 /nfs/dbraw/zinc/94/24/30/558942430.db2.gz ZFZZGHMFLOVJHV-AREMUKBSSA-N 1 1 415.537 3.938 40 0 HHABMO COCCOc1cccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1 ZINC000019593793 558944836 /nfs/dbraw/zinc/94/48/36/558944836.db2.gz VOPDTBQEGVUCEW-JOCHJYFZSA-N 1 1 420.513 3.997 40 0 HHABMO COc1cccc(Cc2cccc([C@H]3CCC[N@@H+](CC(=O)N4CCCCC4)C3)n2)c1 ZINC000072348714 558945473 /nfs/dbraw/zinc/94/54/73/558945473.db2.gz YQAGFDZYXIYSPA-NRFANRHFSA-N 1 1 407.558 3.873 40 0 HHABMO CCn1cc(C[N@H+]2CC[C@@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)cn1 ZINC000072352193 558948292 /nfs/dbraw/zinc/94/82/92/558948292.db2.gz XEPNYYFFYDMPDB-GOSISDBHSA-N 1 1 424.570 3.580 40 0 HHABMO O=C(C[N@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)Nc1ccccc1-n1ccnc1 ZINC000019658486 558950532 /nfs/dbraw/zinc/95/05/32/558950532.db2.gz CCKBUXMRQZCPAY-GOSISDBHSA-N 1 1 414.513 3.642 40 0 HHABMO O=C(C[N@H+]1CCC[C@@H](COc2ccc(F)cc2)C1)Nc1ccnn1C1CCCC1 ZINC000019659231 558950621 /nfs/dbraw/zinc/95/06/21/558950621.db2.gz FVGWFMWYQHZTBG-QGZVFWFLSA-N 1 1 400.498 3.867 40 0 HHABMO O=C(C[N@@H+]1CCC[C@@H](COc2ccc(F)cc2)C1)Nc1ccnn1C1CCCC1 ZINC000019659231 558950623 /nfs/dbraw/zinc/95/06/23/558950623.db2.gz FVGWFMWYQHZTBG-QGZVFWFLSA-N 1 1 400.498 3.867 40 0 HHABMO COc1ccc(NC(=O)C[NH+]2CCC(c3cccc(Br)n3)CC2)cc1 ZINC000072360860 558955718 /nfs/dbraw/zinc/95/57/18/558955718.db2.gz NWGAOTYVTKGJMH-UHFFFAOYSA-N 1 1 404.308 3.671 40 0 HHABMO Cc1cccc(CNC(=O)C2(Cc3cccc([C@H]4CCC[N@H+](C)C4)c3)CCOCC2)n1 ZINC000072372266 558959473 /nfs/dbraw/zinc/95/94/73/558959473.db2.gz KGZWYOBVAZNDKZ-QHCPKHFHSA-N 1 1 421.585 3.855 40 0 HHABMO Cc1cnc(CCNC(=O)c2ccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)nc2)s1 ZINC000072374392 558961936 /nfs/dbraw/zinc/96/19/36/558961936.db2.gz ZSNAIHGDKKAZMU-LJQANCHMSA-N 1 1 421.570 3.594 40 0 HHABMO Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(CC(=O)Nc3ccccc3F)C2)[nH+]1 ZINC000072374868 558963085 /nfs/dbraw/zinc/96/30/85/558963085.db2.gz RWHWCIVBPAYHMN-KRWDZBQOSA-N 1 1 420.492 3.881 40 0 HHABMO CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)C[N@H+](Cc2cccc(C)n2)CCO1 ZINC000072389041 558969381 /nfs/dbraw/zinc/96/93/81/558969381.db2.gz MTEYQTPKJRFNCH-SANMLTNESA-N 1 1 415.537 3.617 40 0 HHABMO CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)C[N@@H+](Cc2cccc(C)n2)CCO1 ZINC000072389041 558969383 /nfs/dbraw/zinc/96/93/83/558969383.db2.gz MTEYQTPKJRFNCH-SANMLTNESA-N 1 1 415.537 3.617 40 0 HHABMO COc1cc(C[N@H+](Cc2ccncc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc(OC)c1 ZINC000072395078 558973868 /nfs/dbraw/zinc/97/38/68/558973868.db2.gz QJQHPRHLISZBBX-HYBUGGRVSA-N 1 1 423.513 3.655 40 0 HHABMO COc1cc(C[N@@H+](Cc2ccncc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc(OC)c1 ZINC000072395078 558973871 /nfs/dbraw/zinc/97/38/71/558973871.db2.gz QJQHPRHLISZBBX-HYBUGGRVSA-N 1 1 423.513 3.655 40 0 HHABMO CC(C)c1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCC(C(N)=O)CC4)cc3)cc2c1 ZINC000072396161 558975229 /nfs/dbraw/zinc/97/52/29/558975229.db2.gz KZSDIKYQIFCRPO-UHFFFAOYSA-N 1 1 418.541 3.965 40 0 HHABMO C[N@H+]1CCCN(C(=O)c2ccc3onc(-c4coc(-c5cccs5)n4)c3c2)CC1 ZINC000096154377 559098923 /nfs/dbraw/zinc/09/89/23/559098923.db2.gz BRIZJRCVUIHJTP-UHFFFAOYSA-N 1 1 408.483 3.989 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccc5c(c4)OCO5)C3)C2)c1 ZINC000096215641 559101837 /nfs/dbraw/zinc/10/18/37/559101837.db2.gz IAEUGHRBBNBHNL-XMMPIXPASA-N 1 1 408.498 3.552 40 0 HHABMO CO[C@]1(COc2ccc(C)cc2)CCC[N@@H+](CC(=O)NCc2cccc(F)c2)CC1 ZINC000585274150 559118465 /nfs/dbraw/zinc/11/84/65/559118465.db2.gz SPJVIOVOVCZZKJ-XMMPIXPASA-N 1 1 414.521 3.700 40 0 HHABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCCCC3)cc2c1 ZINC000000782703 559279304 /nfs/dbraw/zinc/27/93/04/559279304.db2.gz IHTNMLSZBWUQFW-FQEVSTJZSA-N 1 1 424.549 3.634 40 0 HHABMO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257273017 559285005 /nfs/dbraw/zinc/28/50/05/559285005.db2.gz NEXIUHNZIOUSFS-UPVQGACJSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1ccc(F)cc1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257273017 559285006 /nfs/dbraw/zinc/28/50/06/559285006.db2.gz NEXIUHNZIOUSFS-UPVQGACJSA-N 1 1 412.505 3.913 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCCCCC1 ZINC000000909481 560545995 /nfs/dbraw/zinc/54/59/95/560545995.db2.gz WLGKPZZCCCBTMX-HXUWFJFHSA-N 1 1 408.550 3.934 40 0 HHABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)NCc1ccc2c(c1)OCO2 ZINC000004966566 560621721 /nfs/dbraw/zinc/62/17/21/560621721.db2.gz UIEXMMYEYMMHFA-UHFFFAOYSA-N 1 1 409.511 3.521 40 0 HHABMO Cc1c(C)n(C[C@@H](O)C[N@H+](C)Cc2cccc(CN3CCOCC3)c2)c2ccccc12 ZINC000585273162 560741525 /nfs/dbraw/zinc/74/15/25/560741525.db2.gz POJJKSMWKOQYDB-DEOSSOPVSA-N 1 1 421.585 3.583 40 0 HHABMO COc1ccc(-c2noc(CNC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)n2)cc1 ZINC000219240424 568488295 /nfs/dbraw/zinc/48/82/95/568488295.db2.gz HPJUKXNDOJSRQH-QGZVFWFLSA-N 1 1 420.513 3.907 40 0 HHABMO CN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222601842 568520104 /nfs/dbraw/zinc/52/01/04/568520104.db2.gz MMZQFHGLVZKTHS-INIZCTEOSA-N 1 1 414.506 3.808 40 0 HHABMO COc1cc2c(cc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1C)CCCC2 ZINC000222910294 568530514 /nfs/dbraw/zinc/53/05/14/568530514.db2.gz MKXWJGJAELQDEN-UHFFFAOYSA-N 1 1 411.527 3.547 40 0 HHABMO CC(C)n1c(SCC[NH+]2CCCC2)nnc1[C@H]1CCCN(Cc2ccncc2)C1 ZINC000026441157 568549504 /nfs/dbraw/zinc/54/95/04/568549504.db2.gz UCIWSJYQLBTJRC-FQEVSTJZSA-N 1 1 414.623 3.822 40 0 HHABMO COc1ccc(OCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000224549723 568584679 /nfs/dbraw/zinc/58/46/79/568584679.db2.gz RQVSYHPERWYVPK-UHFFFAOYSA-N 1 1 420.912 3.895 40 0 HHABMO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224572256 568585769 /nfs/dbraw/zinc/58/57/69/568585769.db2.gz GUJMRUZMALYMDP-NRFANRHFSA-N 1 1 402.922 3.646 40 0 HHABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000225737911 568669791 /nfs/dbraw/zinc/66/97/91/568669791.db2.gz RXGKDIPSRIUYRP-SFHVURJKSA-N 1 1 402.608 3.721 40 0 HHABMO C[NH+](C)CCNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000256055654 568774865 /nfs/dbraw/zinc/77/48/65/568774865.db2.gz OPLOPAAZOAQOPG-UHFFFAOYSA-N 1 1 423.897 3.940 40 0 HHABMO COc1ccc(-c2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[N@@H+](C)C4)[nH]n2)c(OC)c1 ZINC000257215156 568780573 /nfs/dbraw/zinc/78/05/73/568780573.db2.gz COYFSWJNAPSQHT-KKWLSJBDSA-N 1 1 424.545 3.571 40 0 HHABMO COc1ccc(-c2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[N@H+](C)C4)n[nH]2)c(OC)c1 ZINC000257215156 568780576 /nfs/dbraw/zinc/78/05/76/568780576.db2.gz COYFSWJNAPSQHT-KKWLSJBDSA-N 1 1 424.545 3.571 40 0 HHABMO COc1ccc(-c2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[N@@H+](C)C4)n[nH]2)c(OC)c1 ZINC000257215156 568780579 /nfs/dbraw/zinc/78/05/79/568780579.db2.gz COYFSWJNAPSQHT-KKWLSJBDSA-N 1 1 424.545 3.571 40 0 HHABMO CC[N@H+]1CCC[C@H](NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257245152 568788962 /nfs/dbraw/zinc/78/89/62/568788962.db2.gz IOGGSOFKKZCKJO-QHCPKHFHSA-N 1 1 407.558 3.688 40 0 HHABMO Cc1nc2cc([C@@H]3CCC[N@H+]3C3CCCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257263037 568793732 /nfs/dbraw/zinc/79/37/32/568793732.db2.gz LOCQUBKQVGPAQT-QFIPXVFZSA-N 1 1 409.578 3.981 40 0 HHABMO c1cnc2cccc(C[C@@H]3COCC[N@@H+](Cc4ccnc(N5CCCCC5)n4)C3)c2c1 ZINC000257284021 568799536 /nfs/dbraw/zinc/79/95/36/568799536.db2.gz PAXYGWULZFEWDU-FQEVSTJZSA-N 1 1 417.557 3.706 40 0 HHABMO O=C1O[C@@]2(CC[N@@H+](Cc3cccc(Oc4ncccn4)c3)C2)CN1Cc1ccccc1 ZINC000257322371 568811167 /nfs/dbraw/zinc/81/11/67/568811167.db2.gz WFSGUIWWSPHDRT-XMMPIXPASA-N 1 1 416.481 3.866 40 0 HHABMO CN(C)C(=O)c1sc2nc([C@@]3(C)CCC[N@@H+](Cc4ccccn4)C3)ccc2c1N ZINC000257341615 568816552 /nfs/dbraw/zinc/81/65/52/568816552.db2.gz ZLBQIRTZCRAIGG-QFIPXVFZSA-N 1 1 409.559 3.529 40 0 HHABMO Cc1nc(CN2CC[C@@]3(C[N@@H+](C4CCC4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306123805 568886820 /nfs/dbraw/zinc/88/68/20/568886820.db2.gz AXHTXKOQMZEGPT-UGKGYDQZSA-N 1 1 413.591 3.600 40 0 HHABMO COc1ncccc1C[N@H+]1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306124399 568887522 /nfs/dbraw/zinc/88/75/22/568887522.db2.gz BOOGIPSOMOCOHP-LJQANCHMSA-N 1 1 400.486 3.575 40 0 HHABMO COc1ccccc1-c1ccc2c([C@H]3C[N@H+](Cc4cccs4)CCN3C)nnn2c1 ZINC000306127939 568890696 /nfs/dbraw/zinc/89/06/96/568890696.db2.gz GLGRYZCFNYYMSO-OAQYLSRUSA-N 1 1 419.554 3.955 40 0 HHABMO COc1ccccc1-c1ccc2c([C@H]3C[N@@H+](Cc4cccs4)CCN3C)nnn2c1 ZINC000306127939 568890699 /nfs/dbraw/zinc/89/06/99/568890699.db2.gz GLGRYZCFNYYMSO-OAQYLSRUSA-N 1 1 419.554 3.955 40 0 HHABMO COc1ccccc1C[N@@H+]1CCN(C)[C@@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306129395 568891916 /nfs/dbraw/zinc/89/19/16/568891916.db2.gz IBWCTUUNVNKAMW-HSZRJFAPSA-N 1 1 413.525 3.894 40 0 HHABMO COc1ccccc1C[N@H+]1CCN(C)[C@@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306129395 568891917 /nfs/dbraw/zinc/89/19/17/568891917.db2.gz IBWCTUUNVNKAMW-HSZRJFAPSA-N 1 1 413.525 3.894 40 0 HHABMO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3cccc(C)c3)C[C@@H]1S2(=O)=O ZINC000306130839 568893260 /nfs/dbraw/zinc/89/32/60/568893260.db2.gz JRBADRVUPOSVBR-GGAORHGYSA-N 1 1 420.534 3.821 40 0 HHABMO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3cccc(C)c3)C[C@@H]1S2(=O)=O ZINC000306130839 568893262 /nfs/dbraw/zinc/89/32/62/568893262.db2.gz JRBADRVUPOSVBR-GGAORHGYSA-N 1 1 420.534 3.821 40 0 HHABMO Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1ccccc1F)CCO2 ZINC000306131430 568893703 /nfs/dbraw/zinc/89/37/03/568893703.db2.gz KECAKDXFGWVTMC-RXVVDRJESA-N 1 1 403.523 3.534 40 0 HHABMO Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1ccccc1F)CCO2 ZINC000306131430 568893705 /nfs/dbraw/zinc/89/37/05/568893705.db2.gz KECAKDXFGWVTMC-RXVVDRJESA-N 1 1 403.523 3.534 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccc(C)c4)C[C@@H]32)cc1 ZINC000306135520 568897582 /nfs/dbraw/zinc/89/75/82/568897582.db2.gz OTWKLBWLBVLVFO-RPWUZVMVSA-N 1 1 401.510 3.887 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccc(F)cc4)C[C@H]32)cc1 ZINC000306142640 568904238 /nfs/dbraw/zinc/90/42/38/568904238.db2.gz XFKHANSNBGKSCT-DHIUTWEWSA-N 1 1 405.473 3.717 40 0 HHABMO CCOC[C@]1([NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218635180 568942408 /nfs/dbraw/zinc/94/24/08/568942408.db2.gz FKLTWXJGNBZJDA-SQNIBIBYSA-N 1 1 400.327 3.667 40 0 HHABMO CCOC[C@]1([NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218633207 568942460 /nfs/dbraw/zinc/94/24/60/568942460.db2.gz NSMLIICRQZEJJM-SQNIBIBYSA-N 1 1 400.327 3.667 40 0 HHABMO CC(C)c1nc(NCCCO)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000329065646 568975298 /nfs/dbraw/zinc/97/52/98/568975298.db2.gz XTDUJSUXCKKDIS-UHFFFAOYSA-N 1 1 410.440 3.856 40 0 HHABMO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000248265744 569316788 /nfs/dbraw/zinc/31/67/88/569316788.db2.gz DUFAETVUVTZTPF-HXOBKFHXSA-N 1 1 416.493 3.705 40 0 HHABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000019570235 569345829 /nfs/dbraw/zinc/34/58/29/569345829.db2.gz AUUQDGNDGZBZLJ-GBXCKJPGSA-N 1 1 416.525 3.869 40 0 HHABMO Cc1ccc(-c2nnn(CC(=O)Nc3cccc(C[N@@H+]4CCCC[C@@H]4C)c3)n2)cc1 ZINC000141560770 569354728 /nfs/dbraw/zinc/35/47/28/569354728.db2.gz SFGHVQCZESJDKI-SFHVURJKSA-N 1 1 404.518 3.662 40 0 HHABMO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857030 522786118 /nfs/dbraw/zinc/78/61/18/522786118.db2.gz BGDSFKVPGAKYIA-OAQYLSRUSA-N 1 1 411.527 3.524 40 0 HHABMO COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044908573 524970832 /nfs/dbraw/zinc/97/08/32/524970832.db2.gz VOONAAFNEOAFQK-PKOBYXMFSA-N 1 1 400.494 3.630 40 0 HHABMO COc1ncc([C@@]2(O)CCC[C@H]3C[N@@H+](Cc4ccc(C(C)C)cc4)C[C@H]32)c(OC)n1 ZINC000072343002 525027079 /nfs/dbraw/zinc/02/70/79/525027079.db2.gz NDYQBMVSSLLTOF-LEEZEASISA-N 1 1 411.546 3.737 40 0 HHABMO Cc1nc([C@H]2CCC[N@@H+]2C2CCOCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019741883 558262462 /nfs/dbraw/zinc/26/24/62/558262462.db2.gz ISAUCPVCAPZYGN-OAQYLSRUSA-N 1 1 424.520 3.719 40 0 HHABMO Cc1nc([C@H]2CCC[N@H+]2C2CCOCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019741883 558262464 /nfs/dbraw/zinc/26/24/64/558262464.db2.gz ISAUCPVCAPZYGN-OAQYLSRUSA-N 1 1 424.520 3.719 40 0 HHABMO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@H+]2C2CCOCC2)nc1C ZINC000019753425 558272708 /nfs/dbraw/zinc/27/27/08/558272708.db2.gz YPYQGRYKXNIROT-HXUWFJFHSA-N 1 1 410.518 3.752 40 0 HHABMO CN(C)C(=O)c1cc([C@H]2C[N@H+](CCCc3ccccc3)CCO2)nc2ccccc21 ZINC000019759314 558275576 /nfs/dbraw/zinc/27/55/76/558275576.db2.gz YGUSCPQPZYLJTN-XMMPIXPASA-N 1 1 403.526 3.943 40 0 HHABMO CN(C)C(=O)c1cc([C@H]2C[N@@H+](CCCc3ccccc3)CCO2)nc2ccccc21 ZINC000019759314 558275579 /nfs/dbraw/zinc/27/55/79/558275579.db2.gz YGUSCPQPZYLJTN-XMMPIXPASA-N 1 1 403.526 3.943 40 0 HHABMO COc1cccc(NC(=O)C[NH+]2CCC3(CC2)Nc2ccccc2-n2cccc23)c1 ZINC000012113193 558326875 /nfs/dbraw/zinc/32/68/75/558326875.db2.gz ZEEXYAVDQVFJCJ-UHFFFAOYSA-N 1 1 402.498 3.841 40 0 HHABMO CC(=O)Nc1nc(C(=O)Nc2ccc(CC[C@H]3CC[N@H+](C)C[C@H]3C)cc2)cs1 ZINC000012241250 558360428 /nfs/dbraw/zinc/36/04/28/558360428.db2.gz ZTFICEHYFQIFFE-PBHICJAKSA-N 1 1 400.548 3.874 40 0 HHABMO CC(=O)N1Cc2ccccc2O[C@@]2(CCC[N@@H+](CCC(=O)c3ccccc3)CC2)C1 ZINC000012366022 558388192 /nfs/dbraw/zinc/38/81/92/558388192.db2.gz GAXPLFXYLKUGRH-RUZDIDTESA-N 1 1 406.526 3.925 40 0 HHABMO CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000012365815 558388227 /nfs/dbraw/zinc/38/82/27/558388227.db2.gz HGXGWBLBQOCZFZ-OXQOHEQNSA-N 1 1 403.548 3.640 40 0 HHABMO CNS(=O)(=O)CCc1ccc2c(c1)c(C1=CC[N@@H+](C)CC1)cn2Cc1ccccc1 ZINC000022063354 558460753 /nfs/dbraw/zinc/46/07/53/558460753.db2.gz UILVSZGMQVBENV-UHFFFAOYSA-N 1 1 423.582 3.500 40 0 in-vitro HHABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)C1 ZINC000030939910 558745379 /nfs/dbraw/zinc/74/53/79/558745379.db2.gz XATOCQYBIIDHRV-LJQANCHMSA-N 1 1 421.541 3.643 40 0 HHABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000018217508 558833822 /nfs/dbraw/zinc/83/38/22/558833822.db2.gz LRGBAMPLAATNLC-UHFFFAOYSA-N 1 1 400.522 3.967 40 0 HHABMO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cc4c(cc3Cl)OCO4)CC[C@@H]21 ZINC000019019494 558837567 /nfs/dbraw/zinc/83/75/67/558837567.db2.gz CMFMTJJKANRVDA-LNLFQRSKSA-N 1 1 418.946 3.967 40 0 HHABMO Cc1ccc(C2(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[nH]3)CC[N@H+](C(C)C)C4)CC2)cc1 ZINC000019136833 558846475 /nfs/dbraw/zinc/84/64/75/558846475.db2.gz LBRZGJNJSYYWOG-OAQYLSRUSA-N 1 1 420.557 3.652 40 0 HHABMO COc1ccccc1-c1cc(NC(=O)c2cccc(Cn3cc[nH+]c3C)c2)n(C)n1 ZINC000019288215 558861186 /nfs/dbraw/zinc/86/11/86/558861186.db2.gz WUHMZPAFSAKSQH-UHFFFAOYSA-N 1 1 401.470 3.901 40 0 HHABMO Fc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019293823 558865494 /nfs/dbraw/zinc/86/54/94/558865494.db2.gz LATCKGNTWNOJBC-GOSISDBHSA-N 1 1 406.509 3.986 40 0 HHABMO O=C(NCc1ccccn1)c1cc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)no1 ZINC000019401935 558883840 /nfs/dbraw/zinc/88/38/40/558883840.db2.gz DENIXKSZSMKRFK-UHFFFAOYSA-N 1 1 412.440 3.657 40 0 HHABMO CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](CC2=CCCOC2)C1 ZINC000019449524 558888061 /nfs/dbraw/zinc/88/80/61/558888061.db2.gz JCYYYGUPUMKCFS-SANMLTNESA-N 1 1 419.569 3.855 40 0 HHABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)C(C)(C)C)[nH]c(=O)c3C2)CC1 ZINC000019495972 558894867 /nfs/dbraw/zinc/89/48/67/558894867.db2.gz UKFAYRZDONEYQG-LADRWXRNSA-N 1 1 400.567 3.829 40 0 HHABMO CCC(=O)Nc1cc([C@H](O)C[N@@H+]2CCc3[nH]c4c(cccc4C)c3C2)ccc1OC ZINC000019499308 558897450 /nfs/dbraw/zinc/89/74/50/558897450.db2.gz RULPIVMZYLBSGX-OAQYLSRUSA-N 1 1 407.514 3.925 40 0 HHABMO CCC(=O)Nc1cc([C@H](O)C[N@H+]2CCc3[nH]c4c(cccc4C)c3C2)ccc1OC ZINC000019499308 558897452 /nfs/dbraw/zinc/89/74/52/558897452.db2.gz RULPIVMZYLBSGX-OAQYLSRUSA-N 1 1 407.514 3.925 40 0 HHABMO CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019499820 558897824 /nfs/dbraw/zinc/89/78/24/558897824.db2.gz ADSQQGFMIKJEGU-HZPDHXFCSA-N 1 1 414.575 3.554 40 0 HHABMO CCN1CC[N@@H+](Cc2cccc(C)n2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527758 558908980 /nfs/dbraw/zinc/90/89/80/558908980.db2.gz VTDZKDIGXHNOBD-HSZRJFAPSA-N 1 1 414.553 3.975 40 0 HHABMO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019529159 558910791 /nfs/dbraw/zinc/91/07/91/558910791.db2.gz QNODKOVCNMFZSC-VWLOTQADSA-N 1 1 400.526 3.715 40 0 HHABMO CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1OC ZINC000019533781 558913354 /nfs/dbraw/zinc/91/33/54/558913354.db2.gz LPOKZOMLXCDXNE-YESZJQIVSA-N 1 1 421.492 3.588 40 0 HHABMO COc1cc2c(cc1C[N@H+]1C[C@@H](c3ccccn3)[C@]3(C1)CCCCC(=O)N3)CCCC2 ZINC000019550618 558915122 /nfs/dbraw/zinc/91/51/22/558915122.db2.gz YZJFNRUOIHUPKJ-BKMJKUGQSA-N 1 1 419.569 3.997 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@@H](c3nnc(-c4scnc4C)o3)C2)c1OC ZINC000019562813 558923350 /nfs/dbraw/zinc/92/33/50/558923350.db2.gz PXUMYRVWZNWLLZ-OAHLLOKOSA-N 1 1 400.504 3.898 40 0 HHABMO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1OC ZINC000019567883 558927056 /nfs/dbraw/zinc/92/70/56/558927056.db2.gz MLQJGEGIRTTZBV-LJQANCHMSA-N 1 1 406.486 3.989 40 0 HHABMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1OC ZINC000019567883 558927059 /nfs/dbraw/zinc/92/70/59/558927059.db2.gz MLQJGEGIRTTZBV-LJQANCHMSA-N 1 1 406.486 3.989 40 0 HHABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](c2cc(=O)[nH]c(N3CCCCC3)n2)C1 ZINC000019577459 558933068 /nfs/dbraw/zinc/93/30/68/558933068.db2.gz VSAROLQMFRJJSR-IBGZPJMESA-N 1 1 412.582 3.534 40 0 HHABMO CC[C@H](C)C[N@H+]1CCC[C@H](C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)C1 ZINC000072334316 558935415 /nfs/dbraw/zinc/93/54/15/558935415.db2.gz ASAWMYHRLAUDGZ-FPOVZHCZSA-N 1 1 400.563 3.715 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)C[N@H+](Cc2ccccn2)CCO1 ZINC000019580894 558936476 /nfs/dbraw/zinc/93/64/76/558936476.db2.gz CFISDIFSRWHJPA-AREMUKBSSA-N 1 1 415.537 3.651 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)C[N@@H+](Cc2ccccn2)CCO1 ZINC000019580894 558936477 /nfs/dbraw/zinc/93/64/77/558936477.db2.gz CFISDIFSRWHJPA-AREMUKBSSA-N 1 1 415.537 3.651 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019591332 558941714 /nfs/dbraw/zinc/94/17/14/558941714.db2.gz AYXOPBYWRLFALI-RUZDIDTESA-N 1 1 400.526 3.715 40 0 HHABMO Cc1nc([C@@H]2CCCC[N@H+]2C2CCOCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345451 558941921 /nfs/dbraw/zinc/94/19/21/558941921.db2.gz XNYZRYLYWVPHDA-NRFANRHFSA-N 1 1 412.509 3.560 40 0 HHABMO CNc1cc([C@H]2CCC[N@@H+](Cc3ccc(OC)c(OC)c3)C2)nc(-c2cccnc2)n1 ZINC000019592202 558943079 /nfs/dbraw/zinc/94/30/79/558943079.db2.gz VAQDGDJHDVXZJT-IBGZPJMESA-N 1 1 419.529 3.977 40 0 HHABMO CNc1cc([C@H]2CCC[N@@H+](Cc3cccc(OC)c3OC)C2)nc(-c2ccncc2)n1 ZINC000019592279 558943361 /nfs/dbraw/zinc/94/33/61/558943361.db2.gz BYLBGHDOOKRQDY-SFHVURJKSA-N 1 1 419.529 3.977 40 0 HHABMO COCCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019593718 558944915 /nfs/dbraw/zinc/94/49/15/558944915.db2.gz BSHRAHJMSWBMBK-JOCHJYFZSA-N 1 1 420.513 3.584 40 0 HHABMO COc1ccccc1Cc1cccc([C@@H]2CCC[N@H+](C3CCN(C(C)=O)CC3)C2)n1 ZINC000072350212 558947100 /nfs/dbraw/zinc/94/71/00/558947100.db2.gz QZZWCVBOSPBGRM-OAQYLSRUSA-N 1 1 407.558 3.871 40 0 HHABMO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000072352361 558948793 /nfs/dbraw/zinc/94/87/93/558948793.db2.gz JMQRRDQQQOCUPI-MRXNPFEDSA-N 1 1 401.576 3.697 40 0 HHABMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000072352361 558948795 /nfs/dbraw/zinc/94/87/95/558948795.db2.gz JMQRRDQQQOCUPI-MRXNPFEDSA-N 1 1 401.576 3.697 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1 ZINC000072353456 558950461 /nfs/dbraw/zinc/95/04/61/558950461.db2.gz AQAWUDXJPGXXRS-HXUWFJFHSA-N 1 1 418.545 3.887 40 0 HHABMO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072354655 558951809 /nfs/dbraw/zinc/95/18/09/558951809.db2.gz XWRMDTOFMIBWJW-LJQANCHMSA-N 1 1 409.440 3.780 40 0 HHABMO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2)n1 ZINC000072354655 558951811 /nfs/dbraw/zinc/95/18/11/558951811.db2.gz XWRMDTOFMIBWJW-LJQANCHMSA-N 1 1 409.440 3.780 40 0 HHABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1c1cc(C)[nH+]c(C)n1 ZINC000072370346 558956854 /nfs/dbraw/zinc/95/68/54/558956854.db2.gz VTNQINXGMXENGJ-KRWDZBQOSA-N 1 1 424.570 3.896 40 0 HHABMO CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000019693968 558961918 /nfs/dbraw/zinc/96/19/18/558961918.db2.gz UITGYNCVZCZTBH-SFHVURJKSA-N 1 1 410.953 3.976 40 0 HHABMO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+](Cc3cn(C)nc3C)C2)c1 ZINC000019694071 558962299 /nfs/dbraw/zinc/96/22/99/558962299.db2.gz JNWLQMJVNICBNB-LJQANCHMSA-N 1 1 420.561 3.640 40 0 HHABMO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+](Cc3cn(C)nc3C)C2)c1 ZINC000019694072 558962349 /nfs/dbraw/zinc/96/23/49/558962349.db2.gz JNWLQMJVNICBNB-IBGZPJMESA-N 1 1 420.561 3.640 40 0 HHABMO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@@H+]2Cc2cccc3ncccc23)n1 ZINC000019709753 558971663 /nfs/dbraw/zinc/97/16/63/558971663.db2.gz PWFLKBSXAOUAOU-QFIPXVFZSA-N 1 1 418.545 3.772 40 0 HHABMO CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCC[N@H+]2Cc2cccc3ncccc23)n1 ZINC000019709753 558971665 /nfs/dbraw/zinc/97/16/65/558971665.db2.gz PWFLKBSXAOUAOU-QFIPXVFZSA-N 1 1 418.545 3.772 40 0 HHABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000072398633 558976354 /nfs/dbraw/zinc/97/63/54/558976354.db2.gz AUUQDGNDGZBZLJ-YKSBVNFPSA-N 1 1 416.525 3.869 40 0 HHABMO CCn1cnc2sc(C(=O)Nc3cccc(Cn4cc[nH+]c4C)c3)c(C)c2c1=O ZINC000019717363 558979905 /nfs/dbraw/zinc/97/99/05/558979905.db2.gz UNNJFBQQSUQEGV-UHFFFAOYSA-N 1 1 407.499 3.592 40 0 HHABMO CC(C)c1nc2ccccc2n1[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019718193 558981443 /nfs/dbraw/zinc/98/14/43/558981443.db2.gz PJAXOLAVIFISJR-LJQANCHMSA-N 1 1 405.546 3.850 40 0 HHABMO CC(C)c1nc2ccccc2n1[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019718193 558981446 /nfs/dbraw/zinc/98/14/46/558981446.db2.gz PJAXOLAVIFISJR-LJQANCHMSA-N 1 1 405.546 3.850 40 0 HHABMO CCc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2ccccn2)CC1 ZINC000257276036 558997485 /nfs/dbraw/zinc/99/74/85/558997485.db2.gz NSCIZBBXSCWBCC-WGSAOQKQSA-N 1 1 418.545 3.696 40 0 HHABMO CN(C)c1ncc(C(=O)N2CCC[C@]3(CCC[N@H+]3Cc3cccc(F)c3)CC2)o1 ZINC000585100429 559024006 /nfs/dbraw/zinc/02/40/06/559024006.db2.gz WNCCVTUTONXRQJ-QFIPXVFZSA-N 1 1 400.498 3.541 40 0 HHABMO CN(C)c1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]3C[C@H]3CCCO3)C2)c2ccccc21 ZINC000585101947 559025003 /nfs/dbraw/zinc/02/50/03/559025003.db2.gz NBHQEGVWMSRCNP-KBMIEXCESA-N 1 1 407.558 3.765 40 0 HHABMO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@@H+](Cc2nc4ccccn4c2C)CC3)cs1 ZINC000585100844 559025480 /nfs/dbraw/zinc/02/54/80/559025480.db2.gz YPCFGTYINNPFGQ-HSZRJFAPSA-N 1 1 423.586 3.955 40 0 HHABMO O=C(Cc1ccccn1)N1CCC2(CC1)C[N@@H+](Cc1ccncc1)Cc1ccccc12 ZINC000585105738 559026790 /nfs/dbraw/zinc/02/67/90/559026790.db2.gz QGNSIPDRWGXJGC-UHFFFAOYSA-N 1 1 412.537 3.595 40 0 HHABMO C[N@H+]1CCCN(C(=O)c2nc(-c3cn(CC4CCCCC4)cn3)n3ccccc23)CC1 ZINC000096155136 559099324 /nfs/dbraw/zinc/09/93/24/559099324.db2.gz HPWYNMGJFXFOPN-UHFFFAOYSA-N 1 1 420.561 3.556 40 0 HHABMO O=C1CO[C@@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1cccc3[nH]ccc31)CC2 ZINC000585261813 559109535 /nfs/dbraw/zinc/10/95/35/559109535.db2.gz PRNUHGOBHXHCBV-SANMLTNESA-N 1 1 417.553 3.994 40 0 HHABMO CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2CC1(O)CCN(c2ccccc2C)CC1 ZINC000585262818 559111467 /nfs/dbraw/zinc/11/14/67/559111467.db2.gz IRJLUZLOJHMXEA-ZEQRLZLVSA-N 1 1 413.606 3.582 40 0 HHABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](CC(=O)NC(C)(C)Cc3ccccc3)CC2)cc1 ZINC000585274535 559118670 /nfs/dbraw/zinc/11/86/70/559118670.db2.gz WECMHZVHCKXGFM-SANMLTNESA-N 1 1 424.585 3.728 40 0 HHABMO CC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282367 559120024 /nfs/dbraw/zinc/12/00/24/559120024.db2.gz IJMLLWQHDZRLPH-DEOSSOPVSA-N 1 1 402.579 3.546 40 0 HHABMO COC(=O)c1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000098063901 559126407 /nfs/dbraw/zinc/12/64/07/559126407.db2.gz WIYNFUFUYYASSK-YVNJGZBMSA-N 1 1 409.530 3.900 40 0 HHABMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2nc(N)ncc2-c2ccccc2)cc1 ZINC000072376843 559186615 /nfs/dbraw/zinc/18/66/15/559186615.db2.gz COLHHJQGYAGMHR-OAQYLSRUSA-N 1 1 417.513 3.900 40 0 HHABMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2nc(N)ncc2-c2ccccc2)cc1 ZINC000072376843 559186617 /nfs/dbraw/zinc/18/66/17/559186617.db2.gz COLHHJQGYAGMHR-OAQYLSRUSA-N 1 1 417.513 3.900 40 0 HHABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)cc2c1 ZINC000000888879 560542103 /nfs/dbraw/zinc/54/21/03/560542103.db2.gz BKNQWECHYXSZMQ-NRFANRHFSA-N 1 1 406.534 3.904 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004161726 560601920 /nfs/dbraw/zinc/60/19/20/560601920.db2.gz IBCHGPAGYKXNSJ-OXJNMPFZSA-N 1 1 408.550 3.789 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004161726 560601921 /nfs/dbraw/zinc/60/19/21/560601921.db2.gz IBCHGPAGYKXNSJ-OXJNMPFZSA-N 1 1 408.550 3.789 40 0 HHABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004212308 560603728 /nfs/dbraw/zinc/60/37/28/560603728.db2.gz GWNWGVGASQSWEC-XOBRGWDASA-N 1 1 408.550 3.708 40 0 HHABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004212308 560603729 /nfs/dbraw/zinc/60/37/29/560603729.db2.gz GWNWGVGASQSWEC-XOBRGWDASA-N 1 1 408.550 3.708 40 0 HHABMO COC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nc4cc(C)c(C)cc4[nH]3)CC2)cc1 ZINC000004966412 560621678 /nfs/dbraw/zinc/62/16/78/560621678.db2.gz IVAFMWFKLFZMIC-UHFFFAOYSA-N 1 1 420.513 3.784 40 0 HHABMO CC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020139389 560881112 /nfs/dbraw/zinc/88/11/12/560881112.db2.gz QNQGVUREXAPUQK-OAQYLSRUSA-N 1 1 424.980 3.989 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020140008 560881182 /nfs/dbraw/zinc/88/11/82/560881182.db2.gz ZQVYLIQWGOHBGT-QFIPXVFZSA-N 1 1 422.552 3.865 40 0 HHABMO O=C(CCCN1c2cccc3cccc(c23)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000219457994 568492899 /nfs/dbraw/zinc/49/28/99/568492899.db2.gz REZGHIAVHUNAMQ-UHFFFAOYSA-N 1 1 413.521 3.925 40 0 HHABMO Cc1ccc(-c2noc(CNC(=O)[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000222599699 568519956 /nfs/dbraw/zinc/51/99/56/568519956.db2.gz UODCIHPZTAGIRD-IBGZPJMESA-N 1 1 408.477 3.713 40 0 HHABMO CN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222601772 568520141 /nfs/dbraw/zinc/52/01/41/568520141.db2.gz MMZQFHGLVZKTHS-MRXNPFEDSA-N 1 1 414.506 3.808 40 0 HHABMO CSc1nnc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)s1 ZINC000224281002 568576445 /nfs/dbraw/zinc/57/64/45/568576445.db2.gz YCRLMNHXDLWWDP-UHFFFAOYSA-N 1 1 400.932 3.903 40 0 HHABMO Cc1cc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc(C)c1Cl ZINC000224729465 568593796 /nfs/dbraw/zinc/59/37/96/568593796.db2.gz KCQNWFVBNDPZPA-GOSISDBHSA-N 1 1 416.949 3.873 40 0 HHABMO CCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCOCC3)cc2)CCC[C@@H](C)C1 ZINC000225716049 568667330 /nfs/dbraw/zinc/66/73/30/568667330.db2.gz WXZZJTGPLZVFTF-XXBNENTESA-N 1 1 404.551 3.712 40 0 HHABMO Cc1cc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)ccc1N1CCCC1=O ZINC000225744055 568670380 /nfs/dbraw/zinc/67/03/80/568670380.db2.gz NRLPTLIFNNIZLD-UHFFFAOYSA-N 1 1 422.598 3.857 40 0 HHABMO O=C(C[NH+]1CCC(c2cccc(Nc3ncccn3)n2)CC1)Nc1ccc(F)cc1 ZINC000257199880 568776059 /nfs/dbraw/zinc/77/60/59/568776059.db2.gz ABDDWUITIJZTSM-UHFFFAOYSA-N 1 1 406.465 3.572 40 0 HHABMO Cn1nc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257230203 568784904 /nfs/dbraw/zinc/78/49/04/568784904.db2.gz GBHIJOZIEGXBAU-DEOSSOPVSA-N 1 1 409.505 3.797 40 0 HHABMO Cn1nc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1CCOc1ccc(F)cc1 ZINC000257230203 568784905 /nfs/dbraw/zinc/78/49/05/568784905.db2.gz GBHIJOZIEGXBAU-DEOSSOPVSA-N 1 1 409.505 3.797 40 0 HHABMO Cc1cc(Nc2cccc([C@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)nn1C ZINC000257299010 568804125 /nfs/dbraw/zinc/80/41/25/568804125.db2.gz ROIUZQWHVWNULN-JOCHJYFZSA-N 1 1 414.513 3.989 40 0 HHABMO Cc1cc(Nc2cccc([C@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)nn1C ZINC000257299010 568804128 /nfs/dbraw/zinc/80/41/28/568804128.db2.gz ROIUZQWHVWNULN-JOCHJYFZSA-N 1 1 414.513 3.989 40 0 HHABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(Cn3cccn3)cc2)n1 ZINC000257306468 568806529 /nfs/dbraw/zinc/80/65/29/568806529.db2.gz SUIYSDUKLZHQFY-QFIPXVFZSA-N 1 1 412.497 3.798 40 0 HHABMO CCCN1CC[N@H+](Cc2[nH]cnc2C)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257309025 568807095 /nfs/dbraw/zinc/80/70/95/568807095.db2.gz TZGDBMRQUBUWRV-JOCHJYFZSA-N 1 1 417.557 3.693 40 0 HHABMO CCCN1CC[N@@H+](Cc2[nH]cnc2C)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257309025 568807097 /nfs/dbraw/zinc/80/70/97/568807097.db2.gz TZGDBMRQUBUWRV-JOCHJYFZSA-N 1 1 417.557 3.693 40 0 HHABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218635337 568885765 /nfs/dbraw/zinc/88/57/65/568885765.db2.gz FKLTWXJGNBZJDA-BZSNNMDCSA-N 1 1 400.327 3.667 40 0 HHABMO CN1CCN(C(=O)c2ccc(F)cc2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306127289 568890021 /nfs/dbraw/zinc/89/00/21/568890021.db2.gz FUFHEWRJWDFOEK-QFIPXVFZSA-N 1 1 415.472 3.664 40 0 HHABMO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3cccc(C)c3)C[C@@H]1S2(=O)=O ZINC000306130840 568893175 /nfs/dbraw/zinc/89/31/75/568893175.db2.gz JRBADRVUPOSVBR-GMAHTHKFSA-N 1 1 420.534 3.821 40 0 HHABMO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3cccc(C)c3)C[C@@H]1S2(=O)=O ZINC000306130840 568893178 /nfs/dbraw/zinc/89/31/78/568893178.db2.gz JRBADRVUPOSVBR-GMAHTHKFSA-N 1 1 420.534 3.821 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@H]32)cs1 ZINC000306132818 568895146 /nfs/dbraw/zinc/89/51/46/568895146.db2.gz LTAAAYYJQPUQLB-WOJBJXKFSA-N 1 1 412.946 3.988 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@H]32)cs1 ZINC000306132818 568895148 /nfs/dbraw/zinc/89/51/48/568895148.db2.gz LTAAAYYJQPUQLB-WOJBJXKFSA-N 1 1 412.946 3.988 40 0 HHABMO Cc1ccc(C[N@H+]2CC[C@H](c3ccnc4c(C(=O)N5CCCC5)ncn43)C2)cc1C ZINC000306136106 568898003 /nfs/dbraw/zinc/89/80/03/568898003.db2.gz PJMXFDBVLDAKRF-FQEVSTJZSA-N 1 1 403.530 3.572 40 0 HHABMO Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](CNC(=O)c4ccc(C)cc4)O3)C2)s1 ZINC000306135993 568898012 /nfs/dbraw/zinc/89/80/12/568898012.db2.gz PGDWFLSUFKRMDX-OFNKIYASSA-N 1 1 414.571 3.545 40 0 HHABMO COc1ccccc1C[N@H+]1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136586 568898372 /nfs/dbraw/zinc/89/83/72/568898372.db2.gz PXNVXXBFUVDWLA-SQJMNOBHSA-N 1 1 422.573 3.701 40 0 HHABMO COc1ccc(C[N@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306137259 568899090 /nfs/dbraw/zinc/89/90/90/568899090.db2.gz QQUWORYBDAPESN-XMMPIXPASA-N 1 1 413.525 3.894 40 0 HHABMO COc1ccccc1-c1cnc2n1C[C@@]1(CC[N@@H+](Cc3ccc4c(c3)OCO4)C1)C2 ZINC000306139767 568901722 /nfs/dbraw/zinc/90/17/22/568901722.db2.gz UABCKKAEWHTUOW-DEOSSOPVSA-N 1 1 403.482 3.736 40 0 HHABMO COc1ccccc1-c1ccc2c([C@H]3C[N@H+](Cc4ccsc4)CCN3C)nnn2c1 ZINC000306142689 568904379 /nfs/dbraw/zinc/90/43/79/568904379.db2.gz XGLYDKJNKVYETE-OAQYLSRUSA-N 1 1 419.554 3.955 40 0 HHABMO COc1ccccc1-c1ccc2c([C@H]3C[N@@H+](Cc4ccsc4)CCN3C)nnn2c1 ZINC000306142689 568904380 /nfs/dbraw/zinc/90/43/80/568904380.db2.gz XGLYDKJNKVYETE-OAQYLSRUSA-N 1 1 419.554 3.955 40 0 HHABMO Cc1nc(N[C@H](CO)C(C)C)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329063463 568975398 /nfs/dbraw/zinc/97/53/98/568975398.db2.gz XEWASYSVNAKFQT-QGZVFWFLSA-N 1 1 405.340 3.539 40 0 HHABMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000101507177 569014047 /nfs/dbraw/zinc/01/40/47/569014047.db2.gz HAHFVBKIQQOUAT-TYKWCNGQSA-N 1 1 415.578 3.662 40 0 HHABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000248099217 569316159 /nfs/dbraw/zinc/31/61/59/569316159.db2.gz ORMQXLNTCVDJJK-NTKDMRAZSA-N 1 1 412.530 3.874 40 0 HHABMO COc1ncc([C@]2(O)CCC[C@H]3C[N@@H+](Cc4ccc(C(C)C)cc4)C[C@H]32)c(OC)n1 ZINC000253608429 569318442 /nfs/dbraw/zinc/31/84/42/569318442.db2.gz NDYQBMVSSLLTOF-XZDHIHRUSA-N 1 1 411.546 3.737 40 0 HHABMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702137 569347428 /nfs/dbraw/zinc/34/74/28/569347428.db2.gz AWVAZPUOXFFXHA-FLXZHSAZSA-N 1 1 421.566 3.911 40 0 HHABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000019690459 569428365 /nfs/dbraw/zinc/42/83/65/569428365.db2.gz CKLPYLHFSIQRKL-OAQYLSRUSA-N 1 1 401.514 3.646 40 0 HHABMO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@H+](CCc3ccccc3)CCO2)cc1 ZINC000019694898 569428575 /nfs/dbraw/zinc/42/85/75/569428575.db2.gz PNLXRSZBMURYCM-QHCPKHFHSA-N 1 1 418.541 3.834 40 0 HHABMO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1 ZINC000019694898 569428576 /nfs/dbraw/zinc/42/85/76/569428576.db2.gz PNLXRSZBMURYCM-QHCPKHFHSA-N 1 1 418.541 3.834 40 0 HHABMO COc1ccc(CC2=C[N@@H+](C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000020459281 571314677 /nfs/dbraw/zinc/31/46/77/571314677.db2.gz VQUIKZIRRSKCMH-QHCPKHFHSA-N 1 1 415.493 3.838 40 0 HHABMO COc1ccc(CN2C[C@H]3C[N@H+](Cc4ccc(C(F)(F)F)cc4)CCN3C2=O)cc1 ZINC000096269129 291254981 /nfs/dbraw/zinc/25/49/81/291254981.db2.gz FQYRHMQGMGNAEY-LJQANCHMSA-N 1 1 419.447 3.836 40 0 biogenic,in-vitro HHABMO COc1ccc(CN2C[C@H]3C[N@@H+](Cc4ccc(C(F)(F)F)cc4)CCN3C2=O)cc1 ZINC000096269129 291254984 /nfs/dbraw/zinc/25/49/84/291254984.db2.gz FQYRHMQGMGNAEY-LJQANCHMSA-N 1 1 419.447 3.836 40 0 biogenic,in-vitro HHABMO Cc1cc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1Cl ZINC000042143137 525378565 /nfs/dbraw/zinc/37/85/65/525378565.db2.gz KIKLKTWLDYVNHU-KRWDZBQOSA-N 1 1 402.922 3.564 40 0 HHABMO NC(=O)c1cc([C@@H]2CC[N@@H+](Cc3cncn3Cc3ccccc3)C2)nc2ccccc21 ZINC000019761908 558276943 /nfs/dbraw/zinc/27/69/43/558276943.db2.gz CJIOAVPYCLDAOF-LJQANCHMSA-N 1 1 411.509 3.568 40 0 HHABMO COc1ccc(NC(=O)COc2ccc(/C=C/C3=CC[N@@H+](C)CC3)cc2OC)cc1 ZINC000012154289 558339594 /nfs/dbraw/zinc/33/95/94/558339594.db2.gz URMFKTTTWSQBST-SNAWJCMRSA-N 1 1 408.498 3.996 40 0 HHABMO C[C@@H]1C[N@@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000012182152 558343126 /nfs/dbraw/zinc/34/31/26/558343126.db2.gz VVOUDYGERREZBV-QUCCMNQESA-N 1 1 418.541 3.556 40 0 HHABMO O=C(COc1ccc(Br)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020512054 558382406 /nfs/dbraw/zinc/38/24/06/558382406.db2.gz KKEDAMDESGVARM-UHFFFAOYSA-N 1 1 423.738 3.826 40 0 HHABMO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000021936305 558456119 /nfs/dbraw/zinc/45/61/19/558456119.db2.gz OUYLUYYXXKOTOQ-MRXNPFEDSA-N 1 1 404.963 3.969 40 0 HHABMO O=C(COc1ccc(Cl)cc1Br)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014831552 558674522 /nfs/dbraw/zinc/67/45/22/558674522.db2.gz YJIWNRQTIMTCBU-UHFFFAOYSA-N 1 1 423.738 3.826 40 0 HHABMO COc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000038848973 558818511 /nfs/dbraw/zinc/81/85/11/558818511.db2.gz BNMDRQRVHVRAHO-LJQANCHMSA-N 1 1 416.949 3.928 40 0 HHABMO O=C(CSCc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047277169 558841949 /nfs/dbraw/zinc/84/19/49/558841949.db2.gz BTMLBUAAMRKXQM-UHFFFAOYSA-N 1 1 404.963 3.722 40 0 HHABMO Cc1[nH+]ccn1CCC(=O)N1CCCC[C@H]1c1cc2nc(C)cc(C(F)(F)F)n2n1 ZINC000019116678 558842079 /nfs/dbraw/zinc/84/20/79/558842079.db2.gz FMDNWWVLPKYLBL-INIZCTEOSA-N 1 1 420.439 3.705 40 0 HHABMO Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)on1 ZINC000019122235 558843561 /nfs/dbraw/zinc/84/35/61/558843561.db2.gz VAWHDFKYAKGKSH-LJQANCHMSA-N 1 1 404.518 3.815 40 0 HHABMO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4cccc(OC[C@H]5CCCO5)c4)C[C@@H]32)nc1 ZINC000019216136 558850236 /nfs/dbraw/zinc/85/02/36/558850236.db2.gz NYLABVKBHLPRLJ-BQXRJHOYSA-N 1 1 408.542 3.677 40 0 HHABMO CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCC[N@@H+](CCC(=O)c3ccc(F)cc3)C2)C1 ZINC000019219467 558851340 /nfs/dbraw/zinc/85/13/40/558851340.db2.gz PTTRLEAFMGIMJA-VWLOTQADSA-N 1 1 424.516 3.983 40 0 HHABMO Cc1cccc(OCCC[N@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019235177 558854364 /nfs/dbraw/zinc/85/43/64/558854364.db2.gz GYUFOJBAJNZGQW-NZSAHSFTSA-N 1 1 405.493 3.758 40 0 HHABMO Cc1ccccc1OC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccn3)C2)C1 ZINC000019237333 558856457 /nfs/dbraw/zinc/85/64/57/558856457.db2.gz KVWQKKCKLKMUGY-DHIUTWEWSA-N 1 1 421.585 3.962 40 0 HHABMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cc(C(F)(F)F)[nH]n3)ccc21 ZINC000019289828 558862386 /nfs/dbraw/zinc/86/23/86/558862386.db2.gz XNVXEQCGUBFOQR-UHFFFAOYSA-N 1 1 406.412 3.553 40 0 HHABMO Fc1cccc(Nc2nc(-c3ccncc3)nc3c2C[N@@H+](C[C@H]2CCOC2)CC3)c1 ZINC000019294022 558865714 /nfs/dbraw/zinc/86/57/14/558865714.db2.gz GEXGWXZQMAYABJ-MRXNPFEDSA-N 1 1 405.477 3.816 40 0 HHABMO NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000019348345 558874134 /nfs/dbraw/zinc/87/41/34/558874134.db2.gz XGVUPVARFJGLOY-XMMPIXPASA-N 1 1 404.489 3.593 40 0 HHABMO c1[nH]nc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1-c1ccnc(N2CCCC2)n1 ZINC000019371262 558879171 /nfs/dbraw/zinc/87/91/71/558879171.db2.gz PTVZJRWWIAZWCX-HXUWFJFHSA-N 1 1 402.546 3.889 40 0 HHABMO CCc1[nH+]ccn1[C@H](C)C(=O)N1CC[C@H](c2nc(C(C)C)cc(C(F)(F)F)n2)C1 ZINC000019523484 558904754 /nfs/dbraw/zinc/90/47/54/558904754.db2.gz VTIZASSUUBXPSE-KGLIPLIRSA-N 1 1 409.456 3.955 40 0 HHABMO CCc1[nH+]ccn1CCC(=O)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000019523649 558904859 /nfs/dbraw/zinc/90/48/59/558904859.db2.gz PLOWIXFIWUSPOP-VBVDBJQASA-N 1 1 411.546 3.941 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@](Cc3ccccc3-c3cccnc3)(C(=O)NC)C2)cn1 ZINC000019524905 558906333 /nfs/dbraw/zinc/90/63/33/558906333.db2.gz NIIKLIXVLTWDNR-RUZDIDTESA-N 1 1 417.557 3.536 40 0 HHABMO CCCSc1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 ZINC000019525210 558906581 /nfs/dbraw/zinc/90/65/81/558906581.db2.gz WCGFWQJEJMEXRF-QGZVFWFLSA-N 1 1 422.558 3.504 40 0 HHABMO CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)cc1OC ZINC000019533779 558913221 /nfs/dbraw/zinc/91/32/21/558913221.db2.gz LPOKZOMLXCDXNE-IXDOHACOSA-N 1 1 421.492 3.588 40 0 HHABMO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1CO ZINC000019533660 558913315 /nfs/dbraw/zinc/91/33/15/558913315.db2.gz IRVQCTFRAQSZNP-OAQYLSRUSA-N 1 1 420.513 3.862 40 0 HHABMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1CO ZINC000019533660 558913317 /nfs/dbraw/zinc/91/33/17/558913317.db2.gz IRVQCTFRAQSZNP-OAQYLSRUSA-N 1 1 420.513 3.862 40 0 HHABMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1OC ZINC000019561037 558921967 /nfs/dbraw/zinc/92/19/67/558921967.db2.gz BAAAUMJTOXQSSL-IBGZPJMESA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1OC ZINC000019561037 558921969 /nfs/dbraw/zinc/92/19/69/558921969.db2.gz BAAAUMJTOXQSSL-IBGZPJMESA-N 1 1 406.486 3.989 40 0 HHABMO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000019568944 558928088 /nfs/dbraw/zinc/92/80/88/558928088.db2.gz KMKKTGZJLXUWPQ-CQSZACIVSA-N 1 1 420.439 3.786 40 0 HHABMO Cc1c(Cl)cc(C[N@H+]2C[C@H]3CCc4nnc(-c5ccncc5)n4[C@H]3C2)c(N)c1C ZINC000019577225 558933111 /nfs/dbraw/zinc/93/31/11/558933111.db2.gz SPWRPGBPVLASAA-APWZRJJASA-N 1 1 408.937 3.812 40 0 HHABMO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000072330389 558934480 /nfs/dbraw/zinc/93/44/80/558934480.db2.gz OHARHGKLGGCDRI-AOUJKTHWSA-N 1 1 423.557 3.511 40 0 HHABMO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000072330772 558935164 /nfs/dbraw/zinc/93/51/64/558935164.db2.gz WRCBTIFPQOLMCF-DVECYGJZSA-N 1 1 411.546 3.505 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 ZINC000019584445 558938417 /nfs/dbraw/zinc/93/84/17/558938417.db2.gz UBJRTOBSXXYWCO-HXUWFJFHSA-N 1 1 403.530 3.993 40 0 HHABMO COc1cccc(-c2cccc(C[C@@H]3C[N@@H+](Cc4ccncc4)CCN(C)C3=O)c2)c1 ZINC000019589529 558940344 /nfs/dbraw/zinc/94/03/44/558940344.db2.gz VRZJUFUYLDPRTC-XMMPIXPASA-N 1 1 415.537 3.890 40 0 HHABMO COc1cccc(-c2cccc(C[C@@H]3C[N@@H+](Cc4ccccn4)CCN(C)C3=O)c2)c1 ZINC000019589525 558940399 /nfs/dbraw/zinc/94/03/99/558940399.db2.gz QPTOLQOGADEFDQ-HSZRJFAPSA-N 1 1 415.537 3.890 40 0 HHABMO CN(C(=O)c1ccnn1C(F)F)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019590890 558940950 /nfs/dbraw/zinc/94/09/50/558940950.db2.gz DDFQIFMXNCUHRQ-UHFFFAOYSA-N 1 1 404.461 3.556 40 0 HHABMO COCCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019593720 558944818 /nfs/dbraw/zinc/94/48/18/558944818.db2.gz BSHRAHJMSWBMBK-QFIPXVFZSA-N 1 1 420.513 3.584 40 0 HHABMO Cc1nccn1C[C@@H]1CCC[N@@H+](Cc2c(-c3ccc(F)cc3)nc3ncccn23)C1 ZINC000019656965 558949635 /nfs/dbraw/zinc/94/96/35/558949635.db2.gz VTMIBDFSEDRLKO-GOSISDBHSA-N 1 1 404.493 3.953 40 0 HHABMO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Nc2ncccn2)cn1)N1CCCc2ccccc21 ZINC000072353015 558949751 /nfs/dbraw/zinc/94/97/51/558949751.db2.gz SSZRFDDFBAFHSO-QFIPXVFZSA-N 1 1 414.513 3.732 40 0 HHABMO O=C(C[N@H+]1CCC[C@H]1c1ccc(Nc2ncccn2)cn1)N1CCCc2ccccc21 ZINC000072353015 558949752 /nfs/dbraw/zinc/94/97/52/558949752.db2.gz SSZRFDDFBAFHSO-QFIPXVFZSA-N 1 1 414.513 3.732 40 0 HHABMO Cc1nccn1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000019658113 558949946 /nfs/dbraw/zinc/94/99/46/558949946.db2.gz AEKPHHNYPVFFGY-IBGZPJMESA-N 1 1 405.502 3.730 40 0 HHABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(Nc3ncccc3C)cn2)cn1 ZINC000072353191 558949983 /nfs/dbraw/zinc/94/99/83/558949983.db2.gz MEZLUCFNTPIQRW-OAQYLSRUSA-N 1 1 404.518 3.845 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2ccc(Nc3ncccc3C)cn2)cn1 ZINC000072353191 558949986 /nfs/dbraw/zinc/94/99/86/558949986.db2.gz MEZLUCFNTPIQRW-OAQYLSRUSA-N 1 1 404.518 3.845 40 0 HHABMO O=C(N1CCC[N@H+](Cc2ccccn2)CC1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000019659893 558951162 /nfs/dbraw/zinc/95/11/62/558951162.db2.gz VAKPSEORRKYSQF-UHFFFAOYSA-N 1 1 413.949 3.518 40 0 HHABMO O=C(N1CCC[N@@H+](Cc2ccccn2)CC1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000019659893 558951165 /nfs/dbraw/zinc/95/11/65/558951165.db2.gz VAKPSEORRKYSQF-UHFFFAOYSA-N 1 1 413.949 3.518 40 0 HHABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2cc(Cc3ccc(C)cc3)cc(C)n2)CC1 ZINC000019687089 558957114 /nfs/dbraw/zinc/95/71/14/558957114.db2.gz IMVKIHITLGRXGG-HXUWFJFHSA-N 1 1 409.574 3.620 40 0 HHABMO Nc1ccc(-c2ccc(C3CC[NH+](CC(=O)Nc4ccc(F)cc4)CC3)nc2)cn1 ZINC000019689032 558958608 /nfs/dbraw/zinc/95/86/08/558958608.db2.gz BDOSJVGAVOPQGP-UHFFFAOYSA-N 1 1 405.477 3.683 40 0 HHABMO Cn1nccc1C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371594 558958687 /nfs/dbraw/zinc/95/86/87/558958687.db2.gz VSUFZGGQZAYUMK-OAHLLOKOSA-N 1 1 419.451 3.773 40 0 HHABMO Cn1nccc1C[N@@H+]1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371594 558958689 /nfs/dbraw/zinc/95/86/89/558958689.db2.gz VSUFZGGQZAYUMK-OAHLLOKOSA-N 1 1 419.451 3.773 40 0 HHABMO Cn1nccc1C[N@H+]1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371594 558958691 /nfs/dbraw/zinc/95/86/91/558958691.db2.gz VSUFZGGQZAYUMK-OAHLLOKOSA-N 1 1 419.451 3.773 40 0 HHABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cc(-c3cnn(C)c3)cc(C)n2)cc1 ZINC000019690956 558960559 /nfs/dbraw/zinc/96/05/59/558960559.db2.gz YCYZOZIEJNLUNE-JOCHJYFZSA-N 1 1 405.502 3.575 40 0 HHABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cc(-c3cnn(C)c3)cc(C)n2)cc1 ZINC000019690956 558960562 /nfs/dbraw/zinc/96/05/62/558960562.db2.gz YCYZOZIEJNLUNE-JOCHJYFZSA-N 1 1 405.502 3.575 40 0 HHABMO CC(C)Nc1n[nH]c2nc([C@@H]3CCC[N@@H+]3CC(=O)N3CCCc4ccccc43)ccc12 ZINC000072374501 558962300 /nfs/dbraw/zinc/96/23/00/558962300.db2.gz QKWVAUUUNBHJAE-NRFANRHFSA-N 1 1 418.545 3.895 40 0 HHABMO CC(C)Nc1n[nH]c2nc([C@@H]3CCC[N@H+]3CC(=O)N3CCCc4ccccc43)ccc12 ZINC000072374501 558962303 /nfs/dbraw/zinc/96/23/03/558962303.db2.gz QKWVAUUUNBHJAE-NRFANRHFSA-N 1 1 418.545 3.895 40 0 HHABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019694077 558962267 /nfs/dbraw/zinc/96/22/67/558962267.db2.gz JIZIBNLRUVLXHX-GOSISDBHSA-N 1 1 408.525 3.770 40 0 HHABMO CCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000072376830 558966201 /nfs/dbraw/zinc/96/62/01/558966201.db2.gz DMRKIVWLWQLHNC-SFHVURJKSA-N 1 1 401.942 3.775 40 0 HHABMO CCN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000072376830 558966203 /nfs/dbraw/zinc/96/62/03/558966203.db2.gz DMRKIVWLWQLHNC-SFHVURJKSA-N 1 1 401.942 3.775 40 0 HHABMO Cc1nc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cc(C)ccc2C)sc1C(=O)N(C)C ZINC000072391773 558971506 /nfs/dbraw/zinc/97/15/06/558971506.db2.gz YTKGHDPIVXNJGE-QGZVFWFLSA-N 1 1 400.548 3.546 40 0 HHABMO Cc1nc(NC(=O)C[N@H+]2CCC[C@@H]2c2cc(C)ccc2C)sc1C(=O)N(C)C ZINC000072391773 558971509 /nfs/dbraw/zinc/97/15/09/558971509.db2.gz YTKGHDPIVXNJGE-QGZVFWFLSA-N 1 1 400.548 3.546 40 0 HHABMO O=C(COc1cccc(Cl)c1)N1CCC[C@@]2(CCC[N@H+]2C[C@H]2CCCO2)CC1 ZINC000585100718 559024249 /nfs/dbraw/zinc/02/42/49/559024249.db2.gz URFGISSVDRWIDQ-IFMALSPDSA-N 1 1 406.954 3.745 40 0 HHABMO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)c2ccnc(C(F)(F)F)c2)C3)s1 ZINC000585101881 559024898 /nfs/dbraw/zinc/02/48/98/559024898.db2.gz JYWHGNADMNQGLX-GOSISDBHSA-N 1 1 410.465 3.746 40 0 HHABMO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)c2ccnc(C(F)(F)F)c2)C3)s1 ZINC000585101881 559024900 /nfs/dbraw/zinc/02/49/00/559024900.db2.gz JYWHGNADMNQGLX-GOSISDBHSA-N 1 1 410.465 3.746 40 0 HHABMO Cc1noc(C)c1C[N@@H+]1CC[C@]12CCCN(C(=O)CCOc1ccccc1Cl)C2 ZINC000585102042 559025204 /nfs/dbraw/zinc/02/52/04/559025204.db2.gz ONWWDRJXAKZSPX-QFIPXVFZSA-N 1 1 417.937 3.981 40 0 HHABMO Cc1noc(C)c1C[N@H+]1CC[C@]12CCCN(C(=O)CCOc1ccccc1Cl)C2 ZINC000585102042 559025206 /nfs/dbraw/zinc/02/52/06/559025206.db2.gz ONWWDRJXAKZSPX-QFIPXVFZSA-N 1 1 417.937 3.981 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCCN3C(=O)c3snnc3C)CC2)cc1 ZINC000585100807 559025544 /nfs/dbraw/zinc/02/55/44/559025544.db2.gz XGISQILWQVUFEW-OAQYLSRUSA-N 1 1 400.548 3.516 40 0 HHABMO O=S1(=O)c2ccccc2[C@]2(CC[N@H+](Cc3cccnc3)C2)N1Cc1ccc(F)cc1 ZINC000096143152 559095730 /nfs/dbraw/zinc/09/57/30/559095730.db2.gz CLZVOTQXYKGNBL-HSZRJFAPSA-N 1 1 423.513 3.526 40 0 HHABMO O=S1(=O)c2ccccc2[C@]2(CC[N@@H+](Cc3cccnc3)C2)N1Cc1ccc(F)cc1 ZINC000096143152 559095731 /nfs/dbraw/zinc/09/57/31/559095731.db2.gz CLZVOTQXYKGNBL-HSZRJFAPSA-N 1 1 423.513 3.526 40 0 HHABMO O=S(=O)(Cc1ccccc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccccc2F)C1 ZINC000096214619 559101724 /nfs/dbraw/zinc/10/17/24/559101724.db2.gz WZDXZVNGDAHXAB-QFIPXVFZSA-N 1 1 402.535 3.786 40 0 HHABMO COC1(COc2cccc(Cl)c2)CC[NH+](CC(=O)NCc2cccc(F)c2)CC1 ZINC000585271853 559117882 /nfs/dbraw/zinc/11/78/82/559117882.db2.gz DOEQWCPDBZCWSN-UHFFFAOYSA-N 1 1 420.912 3.655 40 0 HHABMO CC(=O)N1CC[N@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585287813 559123163 /nfs/dbraw/zinc/12/31/63/559123163.db2.gz SKJPRTLAPGBYKZ-PTLVVNQVSA-N 1 1 420.569 3.705 40 0 HHABMO CC(C)(C)[C@H]1CC[C@H]([N@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)CC1 ZINC000585288273 559123319 /nfs/dbraw/zinc/12/33/19/559123319.db2.gz ZWHYLOANGHSYDP-STAGFUQPSA-N 1 1 415.496 3.885 40 0 HHABMO [NH3+][C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)s1 ZINC000072227283 559170214 /nfs/dbraw/zinc/17/02/14/559170214.db2.gz KBTGOGISGUYLEB-RYUDHWBXSA-N 1 1 402.111 3.688 40 0 HHABMO COCCNC(=O)c1sc2ccccc2c1[C@H]1C[N@H+](CCc2ccccc2)CCO1 ZINC000072352513 559185779 /nfs/dbraw/zinc/18/57/79/559185779.db2.gz ZEAMUQJQEUPTQH-HXUWFJFHSA-N 1 1 424.566 3.894 40 0 HHABMO COCCNC(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC000072352513 559185781 /nfs/dbraw/zinc/18/57/81/559185781.db2.gz ZEAMUQJQEUPTQH-HXUWFJFHSA-N 1 1 424.566 3.894 40 0 HHABMO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CCOc3ccccc3)C2)c1 ZINC000072358893 559186095 /nfs/dbraw/zinc/18/60/95/559186095.db2.gz NCNIJLRRLICVKC-FQEVSTJZSA-N 1 1 402.498 3.501 40 0 HHABMO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000004212438 560603717 /nfs/dbraw/zinc/60/37/17/560603717.db2.gz RPBVJVPIQLTYSU-VBKZILBWSA-N 1 1 408.550 3.708 40 0 HHABMO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000004212438 560603718 /nfs/dbraw/zinc/60/37/18/560603718.db2.gz RPBVJVPIQLTYSU-VBKZILBWSA-N 1 1 408.550 3.708 40 0 HHABMO O=C(C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)OC1CCCCC1 ZINC000004968184 560622392 /nfs/dbraw/zinc/62/23/92/560622392.db2.gz ZJCBBSVEXUWXHJ-UHFFFAOYSA-N 1 1 410.440 3.963 40 0 HHABMO Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(=S)N2CC[NH+](C)CC2)cc1 ZINC000409246065 560701381 /nfs/dbraw/zinc/70/13/81/560701381.db2.gz DKCAXANUOZSAPS-UHFFFAOYSA-N 1 1 417.962 3.589 40 0 HHABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000010544244 560770396 /nfs/dbraw/zinc/77/03/96/560770396.db2.gz GHOLGJYYUCVBPS-QGZVFWFLSA-N 1 1 403.386 3.523 40 0 HHABMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000005185578 568442624 /nfs/dbraw/zinc/44/26/24/568442624.db2.gz KHSPNQFTGFMJJP-IEXUWNMDSA-N 1 1 414.546 3.532 40 0 HHABMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)NC1CCCCC1 ZINC000005185578 568442626 /nfs/dbraw/zinc/44/26/26/568442626.db2.gz KHSPNQFTGFMJJP-IEXUWNMDSA-N 1 1 414.546 3.532 40 0 HHABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000055146140 568456870 /nfs/dbraw/zinc/45/68/70/568456870.db2.gz GKSKIJYHTJYXAE-MDNUFGMLSA-N 1 1 419.569 3.936 40 0 HHABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2ccncc2)CC[C@@]1(C)O ZINC000604383120 568489708 /nfs/dbraw/zinc/48/97/08/568489708.db2.gz MVFWAGRBDOANMU-JAXLGGSGSA-N 1 1 401.576 3.762 40 0 biogenic,in-vitro HHABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2ccncc2)CC[C@@]1(C)O ZINC000604383120 568489709 /nfs/dbraw/zinc/48/97/09/568489709.db2.gz MVFWAGRBDOANMU-JAXLGGSGSA-N 1 1 401.576 3.762 40 0 biogenic,in-vitro HHABMO COc1ccc(S(=O)(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1C ZINC000222995144 568533631 /nfs/dbraw/zinc/53/36/31/568533631.db2.gz NTDGOQCPVZHEAA-UHFFFAOYSA-N 1 1 405.907 3.596 40 0 HHABMO O=C(NC[C@H]1COc2ccccc2O1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000225237484 568624952 /nfs/dbraw/zinc/62/49/52/568624952.db2.gz UEAJFDAGHUQASI-QHCPKHFHSA-N 1 1 414.505 3.815 40 0 HHABMO O=C(CCc1nc(-c2ccccc2Cl)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225811347 568676752 /nfs/dbraw/zinc/67/67/52/568676752.db2.gz RPLZJSXMKAPQKY-UHFFFAOYSA-N 1 1 410.905 3.667 40 0 HHABMO COc1cccc(OC)c1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000225903794 568684732 /nfs/dbraw/zinc/68/47/32/568684732.db2.gz PWJNIKHYOYMALU-QGZVFWFLSA-N 1 1 402.922 3.886 40 0 HHABMO CCOc1ccc([C@H](c2nnnn2C(C)C)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000096299529 568721724 /nfs/dbraw/zinc/72/17/24/568721724.db2.gz XPILTQDRKPZSTL-HSZRJFAPSA-N 1 1 420.561 3.560 40 0 HHABMO Nc1nc2c(c(N)n1)C[C@]1(CCC[N@@H+](CC(c3ccccc3)c3ccccc3)CC1)O2 ZINC000257208579 568778708 /nfs/dbraw/zinc/77/87/08/568778708.db2.gz BMTCMCHDWULQHG-RUZDIDTESA-N 1 1 415.541 3.633 40 0 HHABMO COc1ccc([C@H]2C[N@H+](Cc3cccc(Oc4ncccn4)c3)CCN2C(C)=O)cc1 ZINC000257214822 568780319 /nfs/dbraw/zinc/78/03/19/568780319.db2.gz CNNZRTMYZCHBNL-HSZRJFAPSA-N 1 1 418.497 3.683 40 0 HHABMO COc1ccc([C@H]2C[N@@H+](Cc3cccc(Oc4ncccn4)c3)CCN2C(C)=O)cc1 ZINC000257214822 568780320 /nfs/dbraw/zinc/78/03/20/568780320.db2.gz CNNZRTMYZCHBNL-HSZRJFAPSA-N 1 1 418.497 3.683 40 0 HHABMO CC[N@H+]1CC[C@H](CNC(=O)C2(Cc3ccc(-c4ccncc4)cc3)CCOCC2)C1 ZINC000257233604 568785675 /nfs/dbraw/zinc/78/56/75/568785675.db2.gz GPXDCHWRIBFLMH-OAQYLSRUSA-N 1 1 407.558 3.546 40 0 HHABMO Cc1cc(Nc2ccccn2)nc(C2CC[NH+](CC(=O)Nc3ccccc3)CC2)n1 ZINC000257249913 568790281 /nfs/dbraw/zinc/79/02/81/568790281.db2.gz JKFUREPDTIDXIH-UHFFFAOYSA-N 1 1 402.502 3.742 40 0 HHABMO NC(=O)c1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)cc1 ZINC000257260784 568793143 /nfs/dbraw/zinc/79/31/43/568793143.db2.gz LEIARNKXSXVOGD-VWLOTQADSA-N 1 1 424.504 3.969 40 0 HHABMO CNc1cc(C(=O)N2CCO[C@@H](c3cc(Nc4ncc(C)s4)cc(C)[nH+]3)C2)ccn1 ZINC000257277477 568797831 /nfs/dbraw/zinc/79/78/31/568797831.db2.gz NYDAXRVQPQPVLD-GOSISDBHSA-N 1 1 424.530 3.549 40 0 HHABMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1F ZINC000257280427 568798472 /nfs/dbraw/zinc/79/84/72/568798472.db2.gz OKUOPJVNSATUFE-UPVQGACJSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1F ZINC000257280427 568798474 /nfs/dbraw/zinc/79/84/74/568798474.db2.gz OKUOPJVNSATUFE-UPVQGACJSA-N 1 1 412.505 3.913 40 0 HHABMO c1c([C@H]2C[N@@H+](Cc3ccccn3)CCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306125161 568887933 /nfs/dbraw/zinc/88/79/33/568887933.db2.gz CIDXZGVWBQOGDK-HSZRJFAPSA-N 1 1 416.573 3.598 40 0 HHABMO c1c([C@H]2C[N@H+](Cc3ccccn3)CCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306125161 568887935 /nfs/dbraw/zinc/88/79/35/568887935.db2.gz CIDXZGVWBQOGDK-HSZRJFAPSA-N 1 1 416.573 3.598 40 0 HHABMO Cc1cc(C)cc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306126521 568889276 /nfs/dbraw/zinc/88/92/76/568889276.db2.gz DYHOOFSIIXGVKI-NRFANRHFSA-N 1 1 405.546 3.562 40 0 HHABMO COCCN1CC[C@@]2(C[N@@H+](Cc3cc(C)cc(C)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130467 568893013 /nfs/dbraw/zinc/89/30/13/568893013.db2.gz JHJDGWCBPRRDAH-DHLKQENFSA-N 1 1 424.589 3.545 40 0 HHABMO COc1ccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306131788 568894226 /nfs/dbraw/zinc/89/42/26/568894226.db2.gz KPTGHWJOPKTPSZ-RCZVLFRGSA-N 1 1 422.573 3.701 40 0 HHABMO Clc1ccccc1C[N@H+]1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306140398 568902379 /nfs/dbraw/zinc/90/23/79/568902379.db2.gz USGZPIWYKQYZGW-GOSISDBHSA-N 1 1 411.937 3.599 40 0 HHABMO O=C1CCC[C@]2(C[N@@H+](Cc3cccc(Oc4ncccn4)c3)C[C@H]2c2ccccc2)N1 ZINC000019373758 569124759 /nfs/dbraw/zinc/12/47/59/569124759.db2.gz JIAPSXVQHLSKMU-WIOPSUGQSA-N 1 1 414.509 3.907 40 0 HHABMO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3C)no2)CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000248099214 569316196 /nfs/dbraw/zinc/31/61/96/569316196.db2.gz ORMQXLNTCVDJJK-DVECYGJZSA-N 1 1 412.530 3.874 40 0 HHABMO CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000248265746 569316771 /nfs/dbraw/zinc/31/67/71/569316771.db2.gz DUFAETVUVTZTPF-UZUQRXQVSA-N 1 1 416.493 3.705 40 0 HHABMO COc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044908582 569352112 /nfs/dbraw/zinc/35/21/12/569352112.db2.gz VOONAAFNEOAFQK-MJGOQNOKSA-N 1 1 400.494 3.630 40 0 HHABMO COc1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(OC)c1OC ZINC000044882879 524066419 /nfs/dbraw/zinc/06/64/19/524066419.db2.gz XQJOWYNARHYRON-KRWDZBQOSA-N 1 1 412.530 3.874 40 0 HHABMO COc1ccc(C(=O)N2CC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc1Br ZINC000408603191 557523668 /nfs/dbraw/zinc/52/36/68/557523668.db2.gz BHXRKIJXXLVJIK-GOSISDBHSA-N 1 1 415.331 3.731 40 0 HHABMO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1CCC(O)(Cn2cnc3ccccc32)CC1 ZINC000012234531 558358577 /nfs/dbraw/zinc/35/85/77/558358577.db2.gz ZWJBDKOQGGXCFG-UHFFFAOYSA-N 1 1 416.525 3.844 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)cc1Cn1cccn1 ZINC000012251853 558362475 /nfs/dbraw/zinc/36/24/75/558362475.db2.gz IXPSJKBAGQGLFI-DEOSSOPVSA-N 1 1 409.505 3.953 40 0 HHABMO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000012330694 558385474 /nfs/dbraw/zinc/38/54/74/558385474.db2.gz CHMGVUKVCBUDGE-UHFFFAOYSA-N 1 1 410.468 3.778 40 0 HHABMO CC(=O)N1Cc2ccccc2O[C@]2(CCC[N@@H+](CCC(=O)c3ccccc3)CC2)C1 ZINC000012366023 558388291 /nfs/dbraw/zinc/38/82/91/558388291.db2.gz GAXPLFXYLKUGRH-VWLOTQADSA-N 1 1 406.526 3.925 40 0 HHABMO Cc1cc(C)n(-c2cccc(C[N@@H+](CCCN3CCOCC3)Cc3cccnc3)c2)n1 ZINC000036740087 558801580 /nfs/dbraw/zinc/80/15/80/558801580.db2.gz YFTPCOSCHDNGLW-UHFFFAOYSA-N 1 1 419.573 3.609 40 0 HHABMO COc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038848839 558818258 /nfs/dbraw/zinc/81/82/58/558818258.db2.gz WHMZXHJNNILWLM-UHFFFAOYSA-N 1 1 417.347 3.986 40 0 HHABMO O=C(CSCc1cccc(Cl)c1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276403 558841889 /nfs/dbraw/zinc/84/18/89/558841889.db2.gz YVPXCVOVTOXXOY-UHFFFAOYSA-N 1 1 404.963 3.722 40 0 HHABMO O=C(CCSc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047227874 558842030 /nfs/dbraw/zinc/84/20/30/558842030.db2.gz NCWOUFHYSMKLCR-UHFFFAOYSA-N 1 1 404.963 3.971 40 0 HHABMO Cc1cccc(C[N@@H+]2CCCN(C(=O)c3n[nH]c4c3C[C@H](C(C)(C)C)CC4)CC2)n1 ZINC000019236275 558855345 /nfs/dbraw/zinc/85/53/45/558855345.db2.gz GLLJRJIUBCRVQZ-GOSISDBHSA-N 1 1 409.578 3.612 40 0 HHABMO Cc1cccc(C[N@H+]2CCCN(C(=O)c3n[nH]c4c3C[C@H](C(C)(C)C)CC4)CC2)n1 ZINC000019236275 558855348 /nfs/dbraw/zinc/85/53/48/558855348.db2.gz GLLJRJIUBCRVQZ-GOSISDBHSA-N 1 1 409.578 3.612 40 0 HHABMO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@@H+](Cc3cccc(OC[C@H]4CCCO4)c3)C[C@@H]21 ZINC000019237871 558856906 /nfs/dbraw/zinc/85/69/06/558856906.db2.gz YOPIMSVARWYOCN-BQXRJHOYSA-N 1 1 408.542 3.677 40 0 HHABMO COc1ccccc1C[NH+]1CCN(c2c(F)cccc2[C@H](O)c2ncccc2C)CC1 ZINC000019237686 558856917 /nfs/dbraw/zinc/85/69/17/558856917.db2.gz XKGNVZIXYCBZEB-VWLOTQADSA-N 1 1 421.516 3.942 40 0 HHABMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019454406 558891302 /nfs/dbraw/zinc/89/13/02/558891302.db2.gz HWLZUNWQHQMKAN-FQEVSTJZSA-N 1 1 405.498 3.878 40 0 HHABMO C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019496467 558895399 /nfs/dbraw/zinc/89/53/99/558895399.db2.gz JZHKIHJEYCITOI-QGTPRVQTSA-N 1 1 404.967 3.633 40 0 HHABMO C[C@H]1CCCN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019496467 558895401 /nfs/dbraw/zinc/89/54/01/558895401.db2.gz JZHKIHJEYCITOI-QGTPRVQTSA-N 1 1 404.967 3.633 40 0 HHABMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000019500957 558898762 /nfs/dbraw/zinc/89/87/62/558898762.db2.gz MOCJEIJGQSQJSH-CEXWTWQISA-N 1 1 402.539 3.651 40 0 HHABMO CCCN1CC[N@@H+](CC2=CCCOC2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503258 558900394 /nfs/dbraw/zinc/90/03/94/558900394.db2.gz XTLXJQFAZNSOPN-XMMPIXPASA-N 1 1 419.569 3.808 40 0 HHABMO CCn1cc(C[N@H+]2C[C@@H](c3cc(F)cc(F)c3)[C@]3(C2)CCCCC(=O)N3)c(C)n1 ZINC000019524607 558905634 /nfs/dbraw/zinc/90/56/34/558905634.db2.gz WIOJPTFJCQYMRX-RBBKRZOGSA-N 1 1 402.489 3.518 40 0 HHABMO CCN1CC[N@@H+](Cc2cccnc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527451 558908811 /nfs/dbraw/zinc/90/88/11/558908811.db2.gz NCAMEOAJQGRLBC-DEOSSOPVSA-N 1 1 400.526 3.667 40 0 HHABMO CCOc1cc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)ccc1OC ZINC000019532023 558912301 /nfs/dbraw/zinc/91/23/01/558912301.db2.gz IUTBAPCAMNIWQK-FQEVSTJZSA-N 1 1 420.513 3.966 40 0 HHABMO CCOc1cc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)ccc1OC ZINC000019532023 558912306 /nfs/dbraw/zinc/91/23/06/558912306.db2.gz IUTBAPCAMNIWQK-FQEVSTJZSA-N 1 1 420.513 3.966 40 0 HHABMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c(OC)c1 ZINC000019552335 558915786 /nfs/dbraw/zinc/91/57/86/558915786.db2.gz XIXJJEIVVPDBGG-FQEVSTJZSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c(OC)c1 ZINC000019552335 558915788 /nfs/dbraw/zinc/91/57/88/558915788.db2.gz XIXJJEIVVPDBGG-FQEVSTJZSA-N 1 1 406.486 3.989 40 0 HHABMO COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000019553976 558916963 /nfs/dbraw/zinc/91/69/63/558916963.db2.gz JAKOLGSQPJGUKP-DNQXCXABSA-N 1 1 416.525 3.730 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019579614 558935302 /nfs/dbraw/zinc/93/53/02/558935302.db2.gz ISVYJMHVJDOTIN-DEOSSOPVSA-N 1 1 404.514 3.650 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)cc1 ZINC000072337785 558938096 /nfs/dbraw/zinc/93/80/96/558938096.db2.gz NEVQXBZFGBLFPC-NQIIRXRSSA-N 1 1 422.554 3.930 40 0 HHABMO COc1cccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3cccnc3)CC2)c1 ZINC000072340664 558939321 /nfs/dbraw/zinc/93/93/21/558939321.db2.gz SJTBEHFDMDRYLY-DEOSSOPVSA-N 1 1 407.489 3.633 40 0 HHABMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000072352360 558948772 /nfs/dbraw/zinc/94/87/72/558948772.db2.gz JMQRRDQQQOCUPI-INIZCTEOSA-N 1 1 401.576 3.697 40 0 HHABMO CCN(CC)C(=O)C[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000072352360 558948776 /nfs/dbraw/zinc/94/87/76/558948776.db2.gz JMQRRDQQQOCUPI-INIZCTEOSA-N 1 1 401.576 3.697 40 0 HHABMO COc1ccccc1C[C@@H](C)Nc1cc(Cn2c(C)nc3ccccc32)[nH+]c(N)n1 ZINC000019655491 558948853 /nfs/dbraw/zinc/94/88/53/558948853.db2.gz QPMPLVHIPWTPSI-OAHLLOKOSA-N 1 1 402.502 3.817 40 0 HHABMO Cc1nc2cc(NC(=O)C[N@H+]3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)ccc2n1C ZINC000019658017 558949836 /nfs/dbraw/zinc/94/98/36/558949836.db2.gz KGGILXOIUZSRCA-QGZVFWFLSA-N 1 1 416.529 3.651 40 0 HHABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 ZINC000072354653 558951754 /nfs/dbraw/zinc/95/17/54/558951754.db2.gz MYUDINJAYWLLEX-FQEVSTJZSA-N 1 1 421.476 3.649 40 0 HHABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 ZINC000072354653 558951757 /nfs/dbraw/zinc/95/17/57/558951757.db2.gz MYUDINJAYWLLEX-FQEVSTJZSA-N 1 1 421.476 3.649 40 0 HHABMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Nc2ncccn2)n1)N1CCCc2ccccc21 ZINC000072375149 558963606 /nfs/dbraw/zinc/96/36/06/558963606.db2.gz DLWIQHWJJIDNHU-OAQYLSRUSA-N 1 1 414.513 3.732 40 0 HHABMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Nc2ncccn2)n1)N1CCCc2ccccc21 ZINC000072375149 558963607 /nfs/dbraw/zinc/96/36/07/558963607.db2.gz DLWIQHWJJIDNHU-OAQYLSRUSA-N 1 1 414.513 3.732 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cn1 ZINC000072376097 558965061 /nfs/dbraw/zinc/96/50/61/558965061.db2.gz VHFBKYBVJRECQE-HXUWFJFHSA-N 1 1 418.545 3.887 40 0 HHABMO COc1ccc2c(c1)c([C@@H]1C[N@H+](Cc3ccc(OC)c(OC)c3)C[C@H]1N(C)C)cn2C ZINC000072395502 558974266 /nfs/dbraw/zinc/97/42/66/558974266.db2.gz ICBHZAXHJJECDR-JTHBVZDNSA-N 1 1 423.557 3.734 40 0 HHABMO COc1ccc2c(c1)c([C@@H]1C[N@@H+](Cc3ccc(OC)c(OC)c3)C[C@H]1N(C)C)cn2C ZINC000072395502 558974268 /nfs/dbraw/zinc/97/42/68/558974268.db2.gz ICBHZAXHJJECDR-JTHBVZDNSA-N 1 1 423.557 3.734 40 0 HHABMO Cc1nc(C)c(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)s1 ZINC000585099819 559024478 /nfs/dbraw/zinc/02/44/78/559024478.db2.gz CWGVABKPIOYAMF-NRFANRHFSA-N 1 1 402.564 3.912 40 0 HHABMO COc1ccc(F)c(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccncc4)[C@H]3C2)c1 ZINC000585109514 559029341 /nfs/dbraw/zinc/02/93/41/559029341.db2.gz ANJYFLHCSXXERP-WPFOTENUSA-N 1 1 417.484 3.930 40 0 HHABMO CC(C)[NH+]1CCN(C(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn43)n2)CC1 ZINC000096038086 559091765 /nfs/dbraw/zinc/09/17/65/559091765.db2.gz XVJHHFZPGNIMIU-UHFFFAOYSA-N 1 1 413.525 3.958 40 0 HHABMO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000096080568 559094885 /nfs/dbraw/zinc/09/48/85/559094885.db2.gz GVMAZDHTCQVSIT-JWQCQUIFSA-N 1 1 418.562 4.000 40 0 HHABMO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000096080568 559094887 /nfs/dbraw/zinc/09/48/87/559094887.db2.gz GVMAZDHTCQVSIT-JWQCQUIFSA-N 1 1 418.562 4.000 40 0 HHABMO CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2c(C)noc2C)C3)cc1 ZINC000096216058 559101824 /nfs/dbraw/zinc/10/18/24/559101824.db2.gz DMPLMIWQRQXVBH-JOCHJYFZSA-N 1 1 417.575 3.531 40 0 HHABMO CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2c(C)noc2C)C3)cc1 ZINC000096216058 559101825 /nfs/dbraw/zinc/10/18/25/559101825.db2.gz DMPLMIWQRQXVBH-JOCHJYFZSA-N 1 1 417.575 3.531 40 0 HHABMO COc1cccc(CC(=O)N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC000096221028 559101987 /nfs/dbraw/zinc/10/19/87/559101987.db2.gz YCNXFWRTTVANLL-QFIPXVFZSA-N 1 1 408.542 3.520 40 0 HHABMO O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCCn3cccn3)c2)C1 ZINC000585272878 559117145 /nfs/dbraw/zinc/11/71/45/559117145.db2.gz KDXYGZVSLGMWDX-RUZDIDTESA-N 1 1 421.541 3.758 40 0 HHABMO CO[C@@]1(COc2ccc(C)cc2)CCC[N@@H+](CC(=O)NCc2cccc(F)c2)CC1 ZINC000585274149 559118514 /nfs/dbraw/zinc/11/85/14/559118514.db2.gz SPJVIOVOVCZZKJ-DEOSSOPVSA-N 1 1 414.521 3.700 40 0 HHABMO CC(=O)N1CC[N@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585287814 559123183 /nfs/dbraw/zinc/12/31/83/559123183.db2.gz SKJPRTLAPGBYKZ-ZILOHOTNSA-N 1 1 420.569 3.705 40 0 HHABMO COC(=O)c1ccccc1NC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000098063903 559126344 /nfs/dbraw/zinc/12/63/44/559126344.db2.gz BHLCSNOXDNLSFX-XHIHJMKYSA-N 1 1 409.530 3.900 40 0 HHABMO CCc1[nH+]ccn1CC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2ccccn2)CC1 ZINC000100148357 559130584 /nfs/dbraw/zinc/13/05/84/559130584.db2.gz NSCIZBBXSCWBCC-KDURUIRLSA-N 1 1 418.545 3.696 40 0 HHABMO COc1cc(C[N@H+](Cc2ccc(OC)c(OC)c2)C[C@@H]2CCCO2)cc2c1OCO2 ZINC000013994238 560831757 /nfs/dbraw/zinc/83/17/57/560831757.db2.gz ONUJRQYWLJMLET-SFHVURJKSA-N 1 1 415.486 3.622 40 0 HHABMO CC(C)C[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020140916 560881465 /nfs/dbraw/zinc/88/14/65/560881465.db2.gz KZURTPCOFOLUPT-HSZRJFAPSA-N 1 1 404.562 3.626 40 0 HHABMO C[C@@]1(O)CC[N@H+](Cc2ccncc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383097 568489598 /nfs/dbraw/zinc/48/95/98/568489598.db2.gz IKFYJZJOCLACAH-SONWIMMPSA-N 1 1 419.500 3.717 40 0 biogenic,in-vitro HHABMO C[C@@]1(O)CC[N@@H+](Cc2ccncc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000604383097 568489600 /nfs/dbraw/zinc/48/96/00/568489600.db2.gz IKFYJZJOCLACAH-SONWIMMPSA-N 1 1 419.500 3.717 40 0 biogenic,in-vitro HHABMO c1ccc(COc2cccc(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)c2)cc1 ZINC000022931433 568500838 /nfs/dbraw/zinc/50/08/38/568500838.db2.gz SFORFYNROXYHBS-UHFFFAOYSA-N 1 1 417.553 3.995 40 0 HHABMO c1ccc(COc2cccc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)c2)cc1 ZINC000022931433 568500839 /nfs/dbraw/zinc/50/08/39/568500839.db2.gz SFORFYNROXYHBS-UHFFFAOYSA-N 1 1 417.553 3.995 40 0 HHABMO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224567211 568585499 /nfs/dbraw/zinc/58/54/99/568585499.db2.gz XYLAETVFXJAJJQ-LJQANCHMSA-N 1 1 404.510 3.756 40 0 HHABMO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224752112 568595074 /nfs/dbraw/zinc/59/50/74/568595074.db2.gz XYDYPYVWUZBLNC-JOCHJYFZSA-N 1 1 416.949 3.954 40 0 HHABMO O=C(NC[C@@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225284055 568627700 /nfs/dbraw/zinc/62/77/00/568627700.db2.gz DOCKCFJWKHGUKH-GOSISDBHSA-N 1 1 418.896 3.647 40 0 HHABMO COC(=O)c1cc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)ccc1Cl ZINC000225743399 568670598 /nfs/dbraw/zinc/67/05/98/568670598.db2.gz KMVOEJAXQSOFAH-UHFFFAOYSA-N 1 1 417.962 3.861 40 0 HHABMO COc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000225900901 568684462 /nfs/dbraw/zinc/68/44/62/568684462.db2.gz NYFMIXVIFJCCGE-HXUWFJFHSA-N 1 1 412.530 3.583 40 0 HHABMO C[N@@H+]1CCN(C(=O)C2(C)CCN(C(=O)c3ccccc3F)CC2)C[C@@H]1c1ccccc1 ZINC000257229424 568784648 /nfs/dbraw/zinc/78/46/48/568784648.db2.gz FYCDYUZWRDTAHX-JOCHJYFZSA-N 1 1 423.532 3.583 40 0 HHABMO C[N@H+]1CCN(C(=O)C2(C)CCN(C(=O)c3ccccc3F)CC2)C[C@@H]1c1ccccc1 ZINC000257229424 568784650 /nfs/dbraw/zinc/78/46/50/568784650.db2.gz FYCDYUZWRDTAHX-JOCHJYFZSA-N 1 1 423.532 3.583 40 0 HHABMO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000257254443 568791611 /nfs/dbraw/zinc/79/16/11/568791611.db2.gz KDCGAAVWUGXBEL-RUZDIDTESA-N 1 1 416.525 3.635 40 0 HHABMO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000257254443 568791612 /nfs/dbraw/zinc/79/16/12/568791612.db2.gz KDCGAAVWUGXBEL-RUZDIDTESA-N 1 1 416.525 3.635 40 0 HHABMO Cn1nc([C@@H]2C[N@H+](CC3CC3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 ZINC000257288069 568800947 /nfs/dbraw/zinc/80/09/47/568800947.db2.gz PSQYUEFHPRBKGA-FQEVSTJZSA-N 1 1 409.452 3.844 40 0 HHABMO Cn1nc([C@@H]2C[N@@H+](CC3CC3)CCO2)cc1CCOc1cccc(C(F)(F)F)c1 ZINC000257288069 568800950 /nfs/dbraw/zinc/80/09/50/568800950.db2.gz PSQYUEFHPRBKGA-FQEVSTJZSA-N 1 1 409.452 3.844 40 0 HHABMO CCc1ccccc1NC(=O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCCC(=O)N2 ZINC000257292198 568802247 /nfs/dbraw/zinc/80/22/47/568802247.db2.gz QKLDSXMASHNTTN-SQJMNOBHSA-N 1 1 423.532 3.855 40 0 HHABMO CCc1ccccc1NC(=O)C[N@H+]1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCCC(=O)N2 ZINC000257292198 568802248 /nfs/dbraw/zinc/80/22/48/568802248.db2.gz QKLDSXMASHNTTN-SQJMNOBHSA-N 1 1 423.532 3.855 40 0 HHABMO COCCN1CC=CC[C@@]2(CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)C1=O ZINC000257324997 568811904 /nfs/dbraw/zinc/81/19/04/568811904.db2.gz WRAMUZBZUMKKBB-DEOSSOPVSA-N 1 1 410.562 3.634 40 0 HHABMO COCCN1CC=CC[C@@]2(CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)C1=O ZINC000257324997 568811906 /nfs/dbraw/zinc/81/19/06/568811906.db2.gz WRAMUZBZUMKKBB-DEOSSOPVSA-N 1 1 410.562 3.634 40 0 HHABMO Cc1nc([C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257344330 568817376 /nfs/dbraw/zinc/81/73/76/568817376.db2.gz ZWSPQNYWXBQBRE-KRWDZBQOSA-N 1 1 418.944 3.943 40 0 HHABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257344330 568817378 /nfs/dbraw/zinc/81/73/78/568817378.db2.gz ZWSPQNYWXBQBRE-KRWDZBQOSA-N 1 1 418.944 3.943 40 0 HHABMO COc1ccccc1-c1ccc2c([C@@H]3C[N@H+](Cc4cccs4)CCN3C)nnn2c1 ZINC000306127938 568890714 /nfs/dbraw/zinc/89/07/14/568890714.db2.gz GLGRYZCFNYYMSO-NRFANRHFSA-N 1 1 419.554 3.955 40 0 HHABMO COc1ccccc1-c1ccc2c([C@@H]3C[N@@H+](Cc4cccs4)CCN3C)nnn2c1 ZINC000306127938 568890715 /nfs/dbraw/zinc/89/07/15/568890715.db2.gz GLGRYZCFNYYMSO-NRFANRHFSA-N 1 1 419.554 3.955 40 0 HHABMO Clc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306129931 568892330 /nfs/dbraw/zinc/89/23/30/568892330.db2.gz IRCYABBMVSIKGV-GOSISDBHSA-N 1 1 411.937 3.599 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccc(F)c4)C[C@H]32)cc1 ZINC000306134831 568896734 /nfs/dbraw/zinc/89/67/34/568896734.db2.gz NZFNHQRYYVTVMS-XZOQPEGZSA-N 1 1 405.473 3.717 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccc(OC)cc4)C[C@@H]32)cc1 ZINC000306135214 568897124 /nfs/dbraw/zinc/89/71/24/568897124.db2.gz OLCAVNMLPFVOLQ-RPWUZVMVSA-N 1 1 417.509 3.587 40 0 HHABMO COc1ccc(CC(=O)N2CCC[C@@]3(C[N@H+](Cc4cccs4)CCO3)CC2)cc1 ZINC000306137441 568899426 /nfs/dbraw/zinc/89/94/26/568899426.db2.gz QWGZAVZOLIFYFM-QHCPKHFHSA-N 1 1 414.571 3.583 40 0 HHABMO COc1ccc(CC(=O)N2CCC[C@@]3(C[N@@H+](Cc4cccs4)CCO3)CC2)cc1 ZINC000306137441 568899427 /nfs/dbraw/zinc/89/94/27/568899427.db2.gz QWGZAVZOLIFYFM-QHCPKHFHSA-N 1 1 414.571 3.583 40 0 HHABMO Cn1nccc1[C@@H]1C[N@@H+](Cc2cccs2)C[C@]12CCCN(Cc1ccccc1)C2=O ZINC000306138403 568900395 /nfs/dbraw/zinc/90/03/95/568900395.db2.gz RWWTWDHKETULFX-XUZZJYLKSA-N 1 1 420.582 3.890 40 0 HHABMO O=C(c1ccsc1)N1C[C@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)c2ncccc21 ZINC000306141764 568903313 /nfs/dbraw/zinc/90/33/13/568903313.db2.gz WFRFINUVBPHIHR-HSZRJFAPSA-N 1 1 419.506 3.676 40 0 HHABMO CC(C)[C@H](CO)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C2CC2)[nH+]1 ZINC000328985667 568971297 /nfs/dbraw/zinc/97/12/97/568971297.db2.gz HTYOOEOKHUAXFP-FQEVSTJZSA-N 1 1 410.562 3.573 40 0 HHABMO CC(C)[C@H](CO)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C2CC2)n1 ZINC000328985667 568971299 /nfs/dbraw/zinc/97/12/99/568971299.db2.gz HTYOOEOKHUAXFP-FQEVSTJZSA-N 1 1 410.562 3.573 40 0 HHABMO O=C(CCc1ccc2c(c1)CCO2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199323 569059046 /nfs/dbraw/zinc/05/90/46/569059046.db2.gz ZRBXXIDEDYNXKB-LNEBKTTKSA-N 1 1 406.570 3.976 40 0 HHABMO C[C@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 ZINC000253602496 569318468 /nfs/dbraw/zinc/31/84/68/569318468.db2.gz PASOMSLWCUNAGA-PKOBYXMFSA-N 1 1 418.541 3.625 40 0 HHABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)CC1 ZINC000006953496 569335608 /nfs/dbraw/zinc/33/56/08/569335608.db2.gz CXORNJFBSAGGNW-UHFFFAOYSA-N 1 1 417.962 3.671 40 0 HHABMO COc1ccc(-n2ncc(CNC(C)=O)c2[C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000019707859 569348109 /nfs/dbraw/zinc/34/81/09/569348109.db2.gz IDKHFSWGXKIFFL-IBGZPJMESA-N 1 1 422.504 3.646 40 0 HHABMO Fc1ccc(-c2cncc(C[NH+]3CCN(c4cccc5c4OCCO5)CC3)c2)cc1 ZINC000052634547 571314454 /nfs/dbraw/zinc/31/44/54/571314454.db2.gz IUVSEUFHPNITEQ-UHFFFAOYSA-N 1 1 405.473 3.981 40 0 investigational HHABMO Cc1nc(-c2ccc(F)cc2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3COC(=O)NC(C)C)n1 ZINC000008622900 291257552 /nfs/dbraw/zinc/25/75/52/291257552.db2.gz YHDPFZJFCYHTBP-SXLOBPIMSA-N 1 1 412.509 3.904 40 0 biogenic,in-vitro HHABMO CCCCNC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@@H]2[N@@H+](C)C1 ZINC000005179327 557638968 /nfs/dbraw/zinc/63/89/68/557638968.db2.gz LTNOUVDGXDBIHL-MRRJBJDNSA-N 1 1 404.352 3.807 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cc1 ZINC000019741478 558262069 /nfs/dbraw/zinc/26/20/69/558262069.db2.gz ARAYZCKCSXBHNE-FQEVSTJZSA-N 1 1 420.557 3.862 40 0 HHABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752936 558272298 /nfs/dbraw/zinc/27/22/98/558272298.db2.gz GTFOFVZTLGHMQL-NRFANRHFSA-N 1 1 414.557 3.907 40 0 HHABMO CCOc1ccc(NC(=O)OCCN2CC[N@@H+](CCc3ccccc3)[C@H](C)C2)cc1 ZINC000022584227 558500000 /nfs/dbraw/zinc/50/00/00/558500000.db2.gz HQNZUJSOBUCFOS-HXUWFJFHSA-N 1 1 411.546 3.883 40 0 HHABMO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@@H+](Cc3cccc(OC[C@@H]4CCCO4)c3)C[C@@H]21 ZINC000019237869 558856954 /nfs/dbraw/zinc/85/69/54/558856954.db2.gz YOPIMSVARWYOCN-KUVYTWDVSA-N 1 1 408.542 3.677 40 0 HHABMO COc1ccccc1OCC[NH2+]Cc1nc(-c2ccc(-c3ccnc(C)n3)cc2)no1 ZINC000019287571 558861011 /nfs/dbraw/zinc/86/10/11/558861011.db2.gz GZRTXFXPHPAXKV-UHFFFAOYSA-N 1 1 417.469 3.679 40 0 HHABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019333959 558869122 /nfs/dbraw/zinc/86/91/22/558869122.db2.gz APDWSLHLGXIDTD-GOSISDBHSA-N 1 1 406.509 3.986 40 0 HHABMO CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CCCC4)[nH]c(=O)c3C2)CC1 ZINC000019495981 558894771 /nfs/dbraw/zinc/89/47/71/558894771.db2.gz LAELFFWKGYWQAK-QYGXFBIXSA-N 1 1 412.578 3.973 40 0 HHABMO CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCC(C)CC1)CC2 ZINC000019499871 558898158 /nfs/dbraw/zinc/89/81/58/558898158.db2.gz IISGUXOPNHOGQP-UGZUTAHUSA-N 1 1 400.567 3.829 40 0 HHABMO CCc1[nH+]ccn1CCC(=O)Nc1nc2ccc(C(=O)N3CCCCC3)cc2s1 ZINC000019523662 558904849 /nfs/dbraw/zinc/90/48/49/558904849.db2.gz NKUVBEMSPTVOJK-UHFFFAOYSA-N 1 1 411.531 3.710 40 0 HHABMO COc1ccc(CC(=O)N2C[C@@H]3CCCC[N@@H+](CCc4ccccc4)[C@@H]3C2)cc1OC ZINC000019560549 558921500 /nfs/dbraw/zinc/92/15/00/558921500.db2.gz MYAKPRJNSMKWAN-XZOQPEGZSA-N 1 1 422.569 3.802 40 0 HHABMO COc1cccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1OC ZINC000019567886 558926971 /nfs/dbraw/zinc/92/69/71/558926971.db2.gz MLQJGEGIRTTZBV-IBGZPJMESA-N 1 1 406.486 3.989 40 0 HHABMO COc1cccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)c1OC ZINC000019567886 558926974 /nfs/dbraw/zinc/92/69/74/558926974.db2.gz MLQJGEGIRTTZBV-IBGZPJMESA-N 1 1 406.486 3.989 40 0 HHABMO COc1cccc(C[N@H+]2CCCC[C@H]3CN(C(=O)c4cccc(OC)c4OC)C[C@H]32)c1 ZINC000072330687 558935073 /nfs/dbraw/zinc/93/50/73/558935073.db2.gz OATGKBZYMLUBFK-SIKLNZKXSA-N 1 1 424.541 3.839 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)C[N@H+](Cc2ccncc2)CCO1 ZINC000019580916 558936431 /nfs/dbraw/zinc/93/64/31/558936431.db2.gz YJROCYZFPDQPOJ-AREMUKBSSA-N 1 1 415.537 3.651 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)C[N@@H+](Cc2ccncc2)CCO1 ZINC000019580916 558936434 /nfs/dbraw/zinc/93/64/34/558936434.db2.gz YJROCYZFPDQPOJ-AREMUKBSSA-N 1 1 415.537 3.651 40 0 HHABMO COc1cccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)c1 ZINC000072340707 558939338 /nfs/dbraw/zinc/93/93/38/558939338.db2.gz SMJQPTXGDVQNQU-DEOSSOPVSA-N 1 1 407.489 3.633 40 0 HHABMO COc1cccc(-c2cccc(C[C@@H]3C[N@@H+](Cc4cccnc4)CCN(C)C3=O)c2)c1 ZINC000019589527 558940415 /nfs/dbraw/zinc/94/04/15/558940415.db2.gz KJMKAEMRRGUZGW-XMMPIXPASA-N 1 1 415.537 3.890 40 0 HHABMO COc1ncc([C@@]2(O)CCC[C@@H]3C[N@@H+](Cc4ccc(C(C)C)cc4)C[C@H]32)c(OC)n1 ZINC000072343003 558940629 /nfs/dbraw/zinc/94/06/29/558940629.db2.gz NDYQBMVSSLLTOF-ZYKOEDHHSA-N 1 1 411.546 3.737 40 0 HHABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000072345942 558942403 /nfs/dbraw/zinc/94/24/03/558942403.db2.gz MQZSXQHLXKXXQN-SFHVURJKSA-N 1 1 421.932 3.858 40 0 HHABMO CC[NH+](CC)[C@H]1Oc2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]1C)OCO3 ZINC000061887400 558947291 /nfs/dbraw/zinc/94/72/91/558947291.db2.gz OMMBEWHNDYJBLZ-ZGWOSQSPSA-N 1 1 415.486 3.966 40 0 HHABMO CN(C)C(=O)c1cn(C)nc1CC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000072352144 558948300 /nfs/dbraw/zinc/94/83/00/558948300.db2.gz SHNIXOZCXBLQJD-UHFFFAOYSA-N 1 1 409.361 3.883 40 0 HHABMO COc1ccc(C[N@H+]2CCCN(c3ccccn3)CC2)cc1Cc1c(C)n[nH]c1C ZINC000019658397 558950497 /nfs/dbraw/zinc/95/04/97/558950497.db2.gz LMYIIGPLMWHDRR-UHFFFAOYSA-N 1 1 405.546 3.733 40 0 HHABMO O=C(C[N@H+]1CCC[C@H](COc2ccc(F)cc2)C1)Nc1ccnn1C1CCCC1 ZINC000019659233 558950737 /nfs/dbraw/zinc/95/07/37/558950737.db2.gz FVGWFMWYQHZTBG-KRWDZBQOSA-N 1 1 400.498 3.867 40 0 HHABMO O=C(C[N@@H+]1CCC[C@H](COc2ccc(F)cc2)C1)Nc1ccnn1C1CCCC1 ZINC000019659233 558950739 /nfs/dbraw/zinc/95/07/39/558950739.db2.gz FVGWFMWYQHZTBG-KRWDZBQOSA-N 1 1 400.498 3.867 40 0 HHABMO C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019661565 558952772 /nfs/dbraw/zinc/95/27/72/558952772.db2.gz AVKDKVMVGYIELU-INIZCTEOSA-N 1 1 407.436 3.602 40 0 HHABMO C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019661565 558952775 /nfs/dbraw/zinc/95/27/75/558952775.db2.gz AVKDKVMVGYIELU-INIZCTEOSA-N 1 1 407.436 3.602 40 0 HHABMO O=C(c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1ncc[nH]1)N1CCOCC1 ZINC000072370426 558956807 /nfs/dbraw/zinc/95/68/07/558956807.db2.gz GMFVSSNMMDWZHS-QGZVFWFLSA-N 1 1 424.570 3.694 40 0 HHABMO O=C(c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1ncc[nH]1)N1CCOCC1 ZINC000072370426 558956810 /nfs/dbraw/zinc/95/68/10/558956810.db2.gz GMFVSSNMMDWZHS-QGZVFWFLSA-N 1 1 424.570 3.694 40 0 HHABMO FC(F)(F)c1cccc(OCCc2cc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)[nH]n2)c1 ZINC000072371676 558958860 /nfs/dbraw/zinc/95/88/60/558958860.db2.gz UURVOAMNGWIXOS-AWEZNQCLSA-N 1 1 405.424 3.763 40 0 HHABMO FC(F)(F)c1cccc(OCCc2cc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)[nH]n2)c1 ZINC000072371676 558958864 /nfs/dbraw/zinc/95/88/64/558958864.db2.gz UURVOAMNGWIXOS-AWEZNQCLSA-N 1 1 405.424 3.763 40 0 HHABMO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2)cn1 ZINC000019689774 558959196 /nfs/dbraw/zinc/95/91/96/558959196.db2.gz TVVRQULSLNCLNI-NRFANRHFSA-N 1 1 418.545 3.526 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2)cn1 ZINC000019689774 558959198 /nfs/dbraw/zinc/95/91/98/558959198.db2.gz TVVRQULSLNCLNI-NRFANRHFSA-N 1 1 418.545 3.526 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cn1 ZINC000019694183 558962561 /nfs/dbraw/zinc/96/25/61/558962561.db2.gz AGZWOUUGVQGDPB-LJQANCHMSA-N 1 1 408.525 3.945 40 0 HHABMO Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000072374851 558962867 /nfs/dbraw/zinc/96/28/67/558962867.db2.gz SPVSLIQGBBWRLI-QGZVFWFLSA-N 1 1 420.492 3.881 40 0 HHABMO Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@@H+](CC(=O)N(C)C3CCCCC3)C2)n1 ZINC000072374858 558963014 /nfs/dbraw/zinc/96/30/14/558963014.db2.gz WHDISMRIMGVCFG-IBGZPJMESA-N 1 1 422.577 3.894 40 0 HHABMO Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@H+](CC(=O)N(C)C3CCCCC3)C2)n1 ZINC000072374858 558963015 /nfs/dbraw/zinc/96/30/15/558963015.db2.gz WHDISMRIMGVCFG-IBGZPJMESA-N 1 1 422.577 3.894 40 0 HHABMO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ncc(C)s3)n2)cn1 ZINC000072375775 558964625 /nfs/dbraw/zinc/96/46/25/558964625.db2.gz SNOZXTDPUWMCJI-SFHVURJKSA-N 1 1 410.547 3.906 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2cccc(Nc3ncc(C)s3)n2)cn1 ZINC000072375775 558964626 /nfs/dbraw/zinc/96/46/26/558964626.db2.gz SNOZXTDPUWMCJI-SFHVURJKSA-N 1 1 410.547 3.906 40 0 HHABMO Cc1nc([C@H]2CCC[N@H+](C3CCOCC3)C2)nc2c1CCCN2CCc1ccccn1 ZINC000019706626 558968973 /nfs/dbraw/zinc/96/89/73/558968973.db2.gz VCTGOWXLGHTHOE-FQEVSTJZSA-N 1 1 421.589 3.534 40 0 HHABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cccc(Oc5ncccn5)c4)C[C@H]32)nc1 ZINC000072392569 558972464 /nfs/dbraw/zinc/97/24/64/558972464.db2.gz LYNGVJMJSWPJFI-LEEZEASISA-N 1 1 402.498 3.702 40 0 HHABMO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]12 ZINC000072395833 558974741 /nfs/dbraw/zinc/97/47/41/558974741.db2.gz QTDLWBGOUDNPMP-BWKNWUBXSA-N 1 1 414.509 3.626 40 0 HHABMO c1csc(-c2cnc(N3CC[NH+](Cc4ccncc4)CC3)nc2-c2cccnc2)c1 ZINC000072396547 558975361 /nfs/dbraw/zinc/97/53/61/558975361.db2.gz IMHOIBARBAHOKU-UHFFFAOYSA-N 1 1 414.538 3.984 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccn1 ZINC000072398627 558976228 /nfs/dbraw/zinc/97/62/28/558976228.db2.gz HOILGRASXBMNSQ-CVDCTZTESA-N 1 1 404.489 3.999 40 0 HHABMO COc1cc2[nH+]c(C)n(CC(=O)Nc3cc(-c4csnn4)ccc3C)c2cc1OC ZINC000019718838 558982296 /nfs/dbraw/zinc/98/22/96/558982296.db2.gz CDCAFQOYKZYBMY-UHFFFAOYSA-N 1 1 423.498 3.828 40 0 HHABMO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@@H+](Cc1nc3ccccn3c1C)CC2 ZINC000585099832 559024511 /nfs/dbraw/zinc/02/45/11/559024511.db2.gz DHYXWACPCZUWHZ-XMMPIXPASA-N 1 1 421.545 3.795 40 0 HHABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)c2ccc(NC(=O)C4CC4)cc2)C3)s1 ZINC000585101926 559025011 /nfs/dbraw/zinc/02/50/11/559025011.db2.gz LRWIPURUICPMSW-QHCPKHFHSA-N 1 1 424.570 3.681 40 0 HHABMO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)c2ccc(NC(=O)C4CC4)cc2)C3)s1 ZINC000585101926 559025013 /nfs/dbraw/zinc/02/50/13/559025013.db2.gz LRWIPURUICPMSW-QHCPKHFHSA-N 1 1 424.570 3.681 40 0 HHABMO Cc1ccc(CC(=O)N2CCC[C@@]3(C2)C[N@@H+](C)Cc2c(-c4ccccc4)ncn23)cc1 ZINC000585107267 559027780 /nfs/dbraw/zinc/02/77/80/559027780.db2.gz RZPKXUVAJBLQCA-SANMLTNESA-N 1 1 414.553 3.864 40 0 HHABMO C[N@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC000585106945 559029235 /nfs/dbraw/zinc/02/92/35/559029235.db2.gz LUWQZGIVBJAULU-RUZDIDTESA-N 1 1 418.516 3.695 40 0 HHABMO O=C(NCc1cc(F)cc(F)c1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000585108735 559030137 /nfs/dbraw/zinc/03/01/37/559030137.db2.gz OXVYXOUUNZXKQK-IWMITWMQSA-N 1 1 422.422 3.539 40 0 HHABMO O=C(NCc1cc(F)cc(F)c1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000585108735 559030140 /nfs/dbraw/zinc/03/01/40/559030140.db2.gz OXVYXOUUNZXKQK-IWMITWMQSA-N 1 1 422.422 3.539 40 0 HHABMO CC(C)n1c2cc(C(=O)N3CC[NH+](C(C)C)CC3)n(C(=O)N(C)C)c2c2ccccc21 ZINC000096037393 559091168 /nfs/dbraw/zinc/09/11/68/559091168.db2.gz CWGXMLJNXGKFLS-UHFFFAOYSA-N 1 1 423.561 3.873 40 0 HHABMO O=S1(=O)c2ccccc2[C@]2(CC[N@H+](Cc3ccncc3)C2)N1Cc1ccc(F)cc1 ZINC000096143155 559095749 /nfs/dbraw/zinc/09/57/49/559095749.db2.gz HASRKQHGNPZAGV-HSZRJFAPSA-N 1 1 423.513 3.526 40 0 HHABMO O=S1(=O)c2ccccc2[C@]2(CC[N@@H+](Cc3ccncc3)C2)N1Cc1ccc(F)cc1 ZINC000096143155 559095750 /nfs/dbraw/zinc/09/57/50/559095750.db2.gz HASRKQHGNPZAGV-HSZRJFAPSA-N 1 1 423.513 3.526 40 0 HHABMO C[N@H+]1CCCN(C(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn43)n2)CC1 ZINC000096155406 559099670 /nfs/dbraw/zinc/09/96/70/559099670.db2.gz RGATYOLZSVFJND-UHFFFAOYSA-N 1 1 417.488 3.709 40 0 HHABMO CN(C)c1cccc(C(=O)N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC000096220998 559101974 /nfs/dbraw/zinc/10/19/74/559101974.db2.gz YFDXUBDBONWDTJ-HSZRJFAPSA-N 1 1 407.558 3.648 40 0 HHABMO Cc1cc(COc2ccc(C[N@H+]3C[C@H](O)[C@@H](Oc4cccc(Cl)c4)C3)cc2)no1 ZINC000585269192 559115218 /nfs/dbraw/zinc/11/52/18/559115218.db2.gz ZYMCUALUESJGTM-VXKWHMMOSA-N 1 1 414.889 3.840 40 0 HHABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272316 559118102 /nfs/dbraw/zinc/11/81/02/559118102.db2.gz HQBPUSULHDCPRS-QHCPKHFHSA-N 1 1 418.484 3.531 40 0 HHABMO Cc1ccn(CCOc2ccc(C[N@H+]3CCC[C@@](O)(COc4ccccc4)C3)cc2)n1 ZINC000585273668 559118415 /nfs/dbraw/zinc/11/84/15/559118415.db2.gz QIRVOMFMNLRHPE-VWLOTQADSA-N 1 1 421.541 3.676 40 0 HHABMO Cc1ccn(CCOc2ccc(C[N@H+]3CCC[C@](O)(COc4ccccc4)C3)cc2)n1 ZINC000585273665 559118421 /nfs/dbraw/zinc/11/84/21/559118421.db2.gz QIRVOMFMNLRHPE-RUZDIDTESA-N 1 1 421.541 3.676 40 0 HHABMO CC(=O)N1CC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@](O)(COc2ccccc2)C1 ZINC000585282366 559120078 /nfs/dbraw/zinc/12/00/78/559120078.db2.gz IIMQOIWBJQLPKL-GNKBHMEESA-N 1 1 422.569 3.687 40 0 HHABMO O[C@H]1CC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cccc(F)c1F ZINC000585287251 559122321 /nfs/dbraw/zinc/12/23/21/559122321.db2.gz LMZYDLLUAVKEGB-MWYJAUPDSA-N 1 1 417.496 3.868 40 0 HHABMO CCN1CC[NH+](C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000226070462 559272805 /nfs/dbraw/zinc/27/28/05/559272805.db2.gz HKADMSCDXVRMBS-OAQYLSRUSA-N 1 1 420.638 3.675 40 0 HHABMO O=C1CO[C@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1ccc3[nH]ccc3c1)CC2 ZINC000257339497 559283469 /nfs/dbraw/zinc/28/34/69/559283469.db2.gz ZBZOQHDWLRMMFT-AREMUKBSSA-N 1 1 417.553 3.994 40 0 HHABMO COc1ccccc1-c1cccc(CC2(C(=O)N[C@H]3CCC[N@@H+](C)C3)CCOCC2)c1 ZINC000257235468 559284094 /nfs/dbraw/zinc/28/40/94/559284094.db2.gz GXZJPQSYUKUDAT-QFIPXVFZSA-N 1 1 422.569 3.912 40 0 HHABMO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@@H+](Cc3ccc4[nH]ccc4c3)CC[C@@H]2O)c1 ZINC000257251945 559284493 /nfs/dbraw/zinc/28/44/93/559284493.db2.gz JSYHWKAXYWUHGF-VXKWHMMOSA-N 1 1 400.906 3.506 40 0 HHABMO COc1ccccc1-c1cccc(C[C@@]2(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CCCO2)c1 ZINC000257262818 559284875 /nfs/dbraw/zinc/28/48/75/559284875.db2.gz LNBGYRWAOPEASZ-PXDATVDWSA-N 1 1 408.542 3.664 40 0 HHABMO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257273018 559285066 /nfs/dbraw/zinc/28/50/66/559285066.db2.gz NEXIUHNZIOUSFS-VWNXMTODSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1ccc(F)cc1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000257273018 559285068 /nfs/dbraw/zinc/28/50/68/559285068.db2.gz NEXIUHNZIOUSFS-VWNXMTODSA-N 1 1 412.505 3.913 40 0 HHABMO COc1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)c1 ZINC000257292533 559285786 /nfs/dbraw/zinc/28/57/86/559285786.db2.gz QLYZHJMZBNLHAZ-OAQYLSRUSA-N 1 1 408.498 3.541 40 0 HHABMO COc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)c1 ZINC000257292532 559285793 /nfs/dbraw/zinc/28/57/93/559285793.db2.gz QLYZHJMZBNLHAZ-NRFANRHFSA-N 1 1 408.498 3.541 40 0 HHABMO CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(F)cc2)nc(C)n1 ZINC000008622896 560209749 /nfs/dbraw/zinc/20/97/49/560209749.db2.gz LHHHBJAEAHNAFH-SXLOBPIMSA-N 1 1 412.509 3.905 40 0 biogenic,in-vitro HHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[NH+]1CCCCCC1 ZINC000000907715 560545777 /nfs/dbraw/zinc/54/57/77/560545777.db2.gz ADTOLSRRVCHVEG-HXUWFJFHSA-N 1 1 408.550 3.934 40 0 HHABMO C=C1[NH+]=C(SCCC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408990099 560662103 /nfs/dbraw/zinc/66/21/03/560662103.db2.gz MMFKZVSISUIJOX-KRWDZBQOSA-N 1 1 408.520 3.693 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000005444251 560737681 /nfs/dbraw/zinc/73/76/81/560737681.db2.gz IBCHGPAGYKXNSJ-OXQOHEQNSA-N 1 1 408.550 3.789 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000005444251 560737682 /nfs/dbraw/zinc/73/76/82/560737682.db2.gz IBCHGPAGYKXNSJ-OXQOHEQNSA-N 1 1 408.550 3.789 40 0 HHABMO COc1cc(C[N@H+](Cc2ccc(OC)c(OC)c2)C[C@H]2CCCO2)cc2c1OCO2 ZINC000013994240 560831748 /nfs/dbraw/zinc/83/17/48/560831748.db2.gz ONUJRQYWLJMLET-GOSISDBHSA-N 1 1 415.486 3.622 40 0 HHABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2Cl)CC1 ZINC000017090172 560864929 /nfs/dbraw/zinc/86/49/29/560864929.db2.gz CUISEBTTXKLHSQ-JXMROGBWSA-N 1 1 414.962 3.618 40 0 HHABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2Cl)CC1 ZINC000017090939 560865668 /nfs/dbraw/zinc/86/56/68/560865668.db2.gz WEHBEFXQZRXSNM-UHFFFAOYSA-N 1 1 416.978 3.538 40 0 HHABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000005164253 568441906 /nfs/dbraw/zinc/44/19/06/568441906.db2.gz ZVKBSENSURYYII-NHTMILBNSA-N 1 1 400.563 3.812 40 0 HHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccc(Br)c(C)c1 ZINC000216187786 568463573 /nfs/dbraw/zinc/46/35/73/568463573.db2.gz YAMZPINMYNLRCV-UHFFFAOYSA-N 1 1 414.303 3.947 40 0 HHABMO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2OC)C1 ZINC000057774147 568497282 /nfs/dbraw/zinc/49/72/82/568497282.db2.gz KWNXCXWEGLHDPT-XXBNENTESA-N 1 1 411.546 3.505 40 0 HHABMO Cc1ccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1N1CCCC1=O ZINC000225731146 568668770 /nfs/dbraw/zinc/66/87/70/568668770.db2.gz PPYSPQAHGNOGBU-CALCHBBNSA-N 1 1 402.608 3.776 40 0 HHABMO CCOC(=O)c1cccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c1C ZINC000225743580 568670526 /nfs/dbraw/zinc/67/05/26/568670526.db2.gz HHOUOIUOWBBJBS-UHFFFAOYSA-N 1 1 411.571 3.907 40 0 HHABMO O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225901330 568684454 /nfs/dbraw/zinc/68/44/54/568684454.db2.gz FVJPFWLLWVUKIF-HXUWFJFHSA-N 1 1 421.570 3.592 40 0 HHABMO O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225901330 568684457 /nfs/dbraw/zinc/68/44/57/568684457.db2.gz FVJPFWLLWVUKIF-HXUWFJFHSA-N 1 1 421.570 3.592 40 0 HHABMO O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225901330 568684458 /nfs/dbraw/zinc/68/44/58/568684458.db2.gz FVJPFWLLWVUKIF-HXUWFJFHSA-N 1 1 421.570 3.592 40 0 HHABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000260953211 568745503 /nfs/dbraw/zinc/74/55/03/568745503.db2.gz ZGWDCUDXENNKEL-ZWKOTPCHSA-N 1 1 414.571 3.813 40 0 HHABMO Cc1cc(Nc2cccc([C@@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)nn1C ZINC000257242621 568788257 /nfs/dbraw/zinc/78/82/57/568788257.db2.gz IDISHWMADSCKIS-QFIPXVFZSA-N 1 1 414.513 3.989 40 0 HHABMO Cc1cc(Nc2cccc([C@@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)nn1C ZINC000257242621 568788258 /nfs/dbraw/zinc/78/82/58/568788258.db2.gz IDISHWMADSCKIS-QFIPXVFZSA-N 1 1 414.513 3.989 40 0 HHABMO NC(=O)c1ccc(-c2cccc([C@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)cc1 ZINC000257260783 568793029 /nfs/dbraw/zinc/79/30/29/568793029.db2.gz LEIARNKXSXVOGD-RUZDIDTESA-N 1 1 424.504 3.969 40 0 HHABMO Cc1cc(C[N@@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c(C)s1 ZINC000257275764 568797352 /nfs/dbraw/zinc/79/73/52/568797352.db2.gz NQTZMFXGMQHXAK-HXUWFJFHSA-N 1 1 408.951 3.544 40 0 HHABMO Cc1cc(C[N@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c(C)s1 ZINC000257275764 568797355 /nfs/dbraw/zinc/79/73/55/568797355.db2.gz NQTZMFXGMQHXAK-HXUWFJFHSA-N 1 1 408.951 3.544 40 0 HHABMO CNc1cc(C(=O)N2CCO[C@H](c3cc(Nc4ncc(C)s4)cc(C)[nH+]3)C2)ccn1 ZINC000257277478 568797648 /nfs/dbraw/zinc/79/76/48/568797648.db2.gz NYDAXRVQPQPVLD-SFHVURJKSA-N 1 1 424.530 3.549 40 0 HHABMO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1[nH]nc2ccccc21 ZINC000257296949 568803631 /nfs/dbraw/zinc/80/36/31/568803631.db2.gz RFDKSDYLWLCHJC-CZLVRFMKSA-N 1 1 400.526 3.919 40 0 HHABMO Cc1nc(CN2CC[C@]3(C[N@@H+](C4CCC4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cs1 ZINC000306123802 568886875 /nfs/dbraw/zinc/88/68/75/568886875.db2.gz AXHTXKOQMZEGPT-DENIHFKCSA-N 1 1 413.591 3.600 40 0 HHABMO CN(C)c1cccc(C(=O)N2CCC[C@]3(C[N@H+](Cc4cccs4)CCO3)CC2)c1 ZINC000306124959 568888020 /nfs/dbraw/zinc/88/80/20/568888020.db2.gz CDGMBOQUIYVHNY-HSZRJFAPSA-N 1 1 413.587 3.711 40 0 HHABMO CN(C)c1cccc(C(=O)N2CCC[C@]3(C[N@@H+](Cc4cccs4)CCO3)CC2)c1 ZINC000306124959 568888023 /nfs/dbraw/zinc/88/80/23/568888023.db2.gz CDGMBOQUIYVHNY-HSZRJFAPSA-N 1 1 413.587 3.711 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306126386 568889112 /nfs/dbraw/zinc/88/91/12/568889112.db2.gz DUISSIXGEJATBU-OAQYLSRUSA-N 1 1 415.545 3.937 40 0 HHABMO Cc1cc(C(=O)N2CCN(C)[C@H](c3[nH+]cn4cc(-c5cccnc5)ccc34)C2)c(C)o1 ZINC000306128045 568891021 /nfs/dbraw/zinc/89/10/21/568891021.db2.gz GOPGDCCKOBTFOQ-QFIPXVFZSA-N 1 1 415.497 3.735 40 0 HHABMO Fc1cccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306129222 568891801 /nfs/dbraw/zinc/89/18/01/568891801.db2.gz HXUPPDKZTIXUNO-QHCPKHFHSA-N 1 1 407.445 3.593 40 0 HHABMO CC(C)n1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cn1 ZINC000306129506 568891970 /nfs/dbraw/zinc/89/19/70/568891970.db2.gz IFMHYCHXZFJFJT-OAQYLSRUSA-N 1 1 401.518 3.948 40 0 HHABMO COCCN1CC[C@]2(C[N@@H+](Cc3cc(C)cc(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130468 568892941 /nfs/dbraw/zinc/89/29/41/568892941.db2.gz JHJDGWCBPRRDAH-RCZVLFRGSA-N 1 1 424.589 3.545 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccc(Cl)cc4)C[C@H]32)cs1 ZINC000306132395 568894660 /nfs/dbraw/zinc/89/46/60/568894660.db2.gz LHJBXLIJPHENTM-WOJBJXKFSA-N 1 1 412.946 3.988 40 0 HHABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccc(Cl)cc4)C[C@H]32)cs1 ZINC000306132395 568894663 /nfs/dbraw/zinc/89/46/63/568894663.db2.gz LHJBXLIJPHENTM-WOJBJXKFSA-N 1 1 412.946 3.988 40 0 HHABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(-c4ccc(OC)cc4)cnc2CO3)cc1 ZINC000306134184 568896121 /nfs/dbraw/zinc/89/61/21/568896121.db2.gz NFHLWUGJROZSOP-XMMPIXPASA-N 1 1 405.498 3.742 40 0 HHABMO C[N@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000306134478 568896538 /nfs/dbraw/zinc/89/65/38/568896538.db2.gz NOYODNDISOLXIU-RRVLBIQBSA-N 1 1 423.601 3.737 40 0 HHABMO COc1ccccc1C[N@H+]1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306136583 568898488 /nfs/dbraw/zinc/89/84/88/568898488.db2.gz PXNVXXBFUVDWLA-BWKNWUBXSA-N 1 1 422.573 3.701 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccc(F)cc4)C[C@@H]32)cc1 ZINC000306142641 568904191 /nfs/dbraw/zinc/90/41/91/568904191.db2.gz XFKHANSNBGKSCT-GOTSBHOMSA-N 1 1 405.473 3.717 40 0 HHABMO COc1ccccc1C[N@H+]1C[C@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306144037 568905301 /nfs/dbraw/zinc/90/53/01/568905301.db2.gz YTZGROZNZXNVHI-VXKWHMMOSA-N 1 1 405.473 3.717 40 0 HHABMO COc1cc2c(cc1OC)CN(c1cc(N[C@@H](CO)C(C)C)nc(C(C)C)[nH+]1)CC2 ZINC000329023881 568973333 /nfs/dbraw/zinc/97/33/33/568973333.db2.gz OVUDABGGMAOSOO-SFHVURJKSA-N 1 1 414.550 3.609 40 0 HHABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)CC1 ZINC000006953579 569335726 /nfs/dbraw/zinc/33/57/26/569335726.db2.gz OOPSPIKIPOBUSR-UHFFFAOYSA-N 1 1 411.571 3.634 40 0 HHABMO CCOc1cc2c(cc1C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ccccn1)O[C@@H](C)C2 ZINC000012135200 569344630 /nfs/dbraw/zinc/34/46/30/569344630.db2.gz SLQLSONPABPDES-UOJYLLJXSA-N 1 1 408.542 3.923 40 0 HHABMO CC(=O)N1CCCc2cc([C@H](O)C[N@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)ccc21 ZINC000019235127 569345271 /nfs/dbraw/zinc/34/52/71/569345271.db2.gz OWRKYZZCMGGWSI-KBMIEXCESA-N 1 1 407.558 3.538 40 0 HHABMO CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](c2ccccc2)[N@H+]2CCCC[C@@H]2C)n1C ZINC000019496312 569345535 /nfs/dbraw/zinc/34/55/35/569345535.db2.gz HBZOVRZEMGDEEB-YTQUADARSA-N 1 1 413.591 3.816 40 0 HHABMO O=C(c1sc2ncccc2c1[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000019702036 569347341 /nfs/dbraw/zinc/34/73/41/569347341.db2.gz KHFFRJUUVAWDFB-IBGZPJMESA-N 1 1 421.566 3.801 40 0 HHABMO CNC(=O)[C@@]1(Cc2cc(-c3ccccc3C)no2)CC[N@@H+](Cc2cnc(C)s2)C1 ZINC000019703582 569347582 /nfs/dbraw/zinc/34/75/82/569347582.db2.gz ADNVGRIJMORDNE-JOCHJYFZSA-N 1 1 410.543 3.596 40 0 HHABMO CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3C)cc1Cn1cccn1 ZINC000019713161 569348401 /nfs/dbraw/zinc/34/84/01/569348401.db2.gz RQDMYQDXTOOXRY-FCHUYYIVSA-N 1 1 410.562 3.694 40 0 HHABMO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000020503647 575370181 /nfs/dbraw/zinc/37/01/81/575370181.db2.gz RMMYDTWSPAFUIM-AZUAARDMSA-N 1 1 417.484 3.859 40 0 biogenic,in-vitro HHABMO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)cc2)n1 ZINC000035424957 291251757 /nfs/dbraw/zinc/25/17/57/291251757.db2.gz NDVUAKQZJYXNOB-IBGZPJMESA-N 1 1 410.474 3.503 40 0 biogenic,in-vitro HHABMO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(OC)cc2)n1 ZINC000035424957 291251759 /nfs/dbraw/zinc/25/17/59/291251759.db2.gz NDVUAKQZJYXNOB-IBGZPJMESA-N 1 1 410.474 3.503 40 0 biogenic,in-vitro HHABMO COc1ccc(Br)cc1C(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034720773 557015910 /nfs/dbraw/zinc/01/59/10/557015910.db2.gz GQMUHOYWQUKHOO-UHFFFAOYSA-N 1 1 405.361 3.951 40 0 HHABMO Cc1nc([C@@H]2CC[N@H+](C3CCOCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753168 558272310 /nfs/dbraw/zinc/27/23/10/558272310.db2.gz ZLNNJQQCWMSVBA-OAHLLOKOSA-N 1 1 400.910 3.659 40 0 HHABMO Cc1ccc(-n2c(=O)[nH]c3sc4c(c3c2=O)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000019819686 558290124 /nfs/dbraw/zinc/29/01/24/558290124.db2.gz QRQLLYJWWTVJOW-UHFFFAOYSA-N 1 1 403.507 3.607 40 0 HHABMO Cc1ccc(-n2c(=O)[nH]c3sc4c(c3c2=O)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000019819686 558290127 /nfs/dbraw/zinc/29/01/27/558290127.db2.gz QRQLLYJWWTVJOW-UHFFFAOYSA-N 1 1 403.507 3.607 40 0 HHABMO COc1ccc2cnc(C3CC[NH+](CC(=O)Cn4nc(C)cc4C)CC3)cc2c1C ZINC000012144159 558335819 /nfs/dbraw/zinc/33/58/19/558335819.db2.gz BCNZMYAHPICBJL-UHFFFAOYSA-N 1 1 406.530 3.814 40 0 HHABMO COc1ccc(C[N@@H+](Cc2coc3ccccc3c2=O)C[C@H]2CCCO2)cc1OC ZINC000012187328 558346290 /nfs/dbraw/zinc/34/62/90/558346290.db2.gz CEOLJFZBFBISBT-LJQANCHMSA-N 1 1 409.482 3.991 40 0 HHABMO COc1ccc(C[N@H+](Cc2coc3ccccc3c2=O)C[C@H]2CCCO2)cc1OC ZINC000012187328 558346293 /nfs/dbraw/zinc/34/62/93/558346293.db2.gz CEOLJFZBFBISBT-LJQANCHMSA-N 1 1 409.482 3.991 40 0 HHABMO COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000020451514 558365813 /nfs/dbraw/zinc/36/58/13/558365813.db2.gz QZYSBXJYAWYHHH-INIZCTEOSA-N 1 1 424.497 3.744 40 0 HHABMO O=C(NC(=S)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)c1ccccc1F ZINC000034387048 558773703 /nfs/dbraw/zinc/77/37/03/558773703.db2.gz YONBWECGLWKSGA-XWDORNJCSA-N 1 1 413.562 3.735 40 0 HHABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850741 558818848 /nfs/dbraw/zinc/81/88/48/558818848.db2.gz ZHGOXBOKEJTHOV-QFIPXVFZSA-N 1 1 411.977 3.896 40 0 HHABMO Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCC[N@@H+](Cc3ccccn3)C2)on1 ZINC000019122222 558843588 /nfs/dbraw/zinc/84/35/88/558843588.db2.gz XBJVCRVYOSMYPP-SFHVURJKSA-N 1 1 404.518 3.815 40 0 HHABMO Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCC[N@@H+](Cc4ccccn4)C3)on2)cc1 ZINC000019212270 558848750 /nfs/dbraw/zinc/84/87/50/558848750.db2.gz GKPRDTWFISOCDG-VWLOTQADSA-N 1 1 418.541 3.958 40 0 HHABMO Cc1cccc(OCCC[N@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1 ZINC000019235179 558854298 /nfs/dbraw/zinc/85/42/98/558854298.db2.gz GYUFOJBAJNZGQW-YTQUADARSA-N 1 1 405.493 3.758 40 0 HHABMO Cc1cccc(C[N@@H+]2CCCN(C(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)CC2)n1 ZINC000019236277 558855414 /nfs/dbraw/zinc/85/54/14/558855414.db2.gz HQPNHHBKIFRDJY-GOSISDBHSA-N 1 1 410.562 3.877 40 0 HHABMO Cc1cccc(C[N@H+]2CCCN(C(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)CC2)n1 ZINC000019236277 558855417 /nfs/dbraw/zinc/85/54/17/558855417.db2.gz HQPNHHBKIFRDJY-GOSISDBHSA-N 1 1 410.562 3.877 40 0 HHABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000019236851 558856047 /nfs/dbraw/zinc/85/60/47/558856047.db2.gz AHTVFMABRZJUCG-REWPJTCUSA-N 1 1 403.530 3.507 40 0 HHABMO Fc1ccc(Oc2nc(N3CCCC3)nc3c2C[N@H+](Cc2ccncc2)CC3)cc1 ZINC000019336057 558869961 /nfs/dbraw/zinc/86/99/61/558869961.db2.gz UJEDRIINRSOLMY-UHFFFAOYSA-N 1 1 405.477 3.962 40 0 HHABMO Fc1ccc(Oc2nc(N3CCCC3)nc3c2C[N@@H+](Cc2ccncc2)CC3)cc1 ZINC000019336057 558869963 /nfs/dbraw/zinc/86/99/63/558869963.db2.gz UJEDRIINRSOLMY-UHFFFAOYSA-N 1 1 405.477 3.962 40 0 HHABMO O=C(c1ccncc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]21 ZINC000019336206 558870005 /nfs/dbraw/zinc/87/00/05/558870005.db2.gz ZKSKQFRUWCVVTC-HJOGWXRNSA-N 1 1 416.500 3.746 40 0 HHABMO FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3CCN3CCOCC3)n2)cc1 ZINC000019336962 558870423 /nfs/dbraw/zinc/87/04/23/558870423.db2.gz HVUSYOZBKLKNTM-GOSISDBHSA-N 1 1 424.467 3.832 40 0 HHABMO Fc1ccc(Oc2nc(N3CCCC3)nc3c2C[N@H+](Cc2cccnc2)CC3)cc1 ZINC000019339413 558871057 /nfs/dbraw/zinc/87/10/57/558871057.db2.gz YJMXOHXVRAQNKM-UHFFFAOYSA-N 1 1 405.477 3.962 40 0 HHABMO Fc1ccc(Oc2nc(N3CCCC3)nc3c2C[N@@H+](Cc2cccnc2)CC3)cc1 ZINC000019339413 558871058 /nfs/dbraw/zinc/87/10/58/558871058.db2.gz YJMXOHXVRAQNKM-UHFFFAOYSA-N 1 1 405.477 3.962 40 0 HHABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019370396 558878696 /nfs/dbraw/zinc/87/86/96/558878696.db2.gz IKGONPDUUWLZKG-WIOPSUGQSA-N 1 1 400.526 3.789 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccn1 ZINC000019371254 558879202 /nfs/dbraw/zinc/87/92/02/558879202.db2.gz LUHUQWDWAAADJF-URXFXBBRSA-N 1 1 400.526 3.902 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](CC2=CCCOC2)C1)c1cccc(F)c1 ZINC000019400436 558883092 /nfs/dbraw/zinc/88/30/92/558883092.db2.gz KJUIGHUOUUAGGZ-REWPJTCUSA-N 1 1 409.505 3.751 40 0 HHABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccc4cc(OC)ccc4n3)C2)no1 ZINC000019503695 558900856 /nfs/dbraw/zinc/90/08/56/558900856.db2.gz NYORPSPDYAFIJV-QGZVFWFLSA-N 1 1 408.502 3.751 40 0 HHABMO CCN1CC[N@@H+](Cc2ccncc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527404 558908568 /nfs/dbraw/zinc/90/85/68/558908568.db2.gz UHOJVXILSZSOQW-XMMPIXPASA-N 1 1 400.526 3.667 40 0 HHABMO CCOc1cc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)ccc1OC ZINC000019532025 558912429 /nfs/dbraw/zinc/91/24/29/558912429.db2.gz WDBXHVDMYZWNIK-HXUWFJFHSA-N 1 1 420.513 3.966 40 0 HHABMO CCOc1cc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)ccc1OC ZINC000019532025 558912432 /nfs/dbraw/zinc/91/24/32/558912432.db2.gz WDBXHVDMYZWNIK-HXUWFJFHSA-N 1 1 420.513 3.966 40 0 HHABMO COc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CC[C@H]3CCCO3)CC2)cc1 ZINC000019553318 558916569 /nfs/dbraw/zinc/91/65/69/558916569.db2.gz JVWGYKZATULCHZ-ILBGXUMGSA-N 1 1 408.542 3.888 40 0 HHABMO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000072330771 558935181 /nfs/dbraw/zinc/93/51/81/558935181.db2.gz WRCBTIFPQOLMCF-CYFREDJKSA-N 1 1 411.546 3.505 40 0 HHABMO CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019580452 558936064 /nfs/dbraw/zinc/93/60/64/558936064.db2.gz ZUZBIIKNSPISHP-RUZDIDTESA-N 1 1 400.526 3.667 40 0 HHABMO COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000019581512 558936909 /nfs/dbraw/zinc/93/69/09/558936909.db2.gz SOYWDOWPVDQDAR-VXKWHMMOSA-N 1 1 424.932 3.849 40 0 HHABMO Cc1c(C)n(C2CCCC2)c2ncnc(OC3CC[NH+](Cc4ccnn4C)CC3)c12 ZINC000072336043 558937235 /nfs/dbraw/zinc/93/72/35/558937235.db2.gz ZVGPNLQYYIOQEL-UHFFFAOYSA-N 1 1 408.550 3.940 40 0 HHABMO COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2cc(C[NH+]3CCCC3)c(C)o2)cc1 ZINC000019582505 558937648 /nfs/dbraw/zinc/93/76/48/558937648.db2.gz BKBHCZNNTXCDJL-QHCPKHFHSA-N 1 1 420.513 3.703 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)c1 ZINC000019584447 558938393 /nfs/dbraw/zinc/93/83/93/558938393.db2.gz UBJRTOBSXXYWCO-FQEVSTJZSA-N 1 1 403.530 3.993 40 0 HHABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1 ZINC000072346069 558942619 /nfs/dbraw/zinc/94/26/19/558942619.db2.gz LXKGIXYLTGEDRT-OAQYLSRUSA-N 1 1 415.541 3.637 40 0 HHABMO COc1cc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc(OC)c1 ZINC000019595112 558945846 /nfs/dbraw/zinc/94/58/46/558945846.db2.gz ZGNKBNHSRXZXBF-OAQYLSRUSA-N 1 1 406.486 3.989 40 0 HHABMO COc1cc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc(OC)c1 ZINC000019595112 558945849 /nfs/dbraw/zinc/94/58/49/558945849.db2.gz ZGNKBNHSRXZXBF-OAQYLSRUSA-N 1 1 406.486 3.989 40 0 HHABMO CCn1cc(C[N@H+]2CC[C@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)cn1 ZINC000072352192 558948305 /nfs/dbraw/zinc/94/83/05/558948305.db2.gz XEPNYYFFYDMPDB-SFHVURJKSA-N 1 1 424.570 3.580 40 0 HHABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+]2CCc2ccc(Cl)cc2)c1 ZINC000072354736 558952038 /nfs/dbraw/zinc/95/20/38/558952038.db2.gz JWIDEADLAICFLD-FQEVSTJZSA-N 1 1 421.932 3.858 40 0 HHABMO COc1ccc(C2=NO[C@](C)(C(=O)Nc3ccccc3Cn3cc[nH+]c3C)C2)cc1 ZINC000019661090 558952144 /nfs/dbraw/zinc/95/21/44/558952144.db2.gz WUEUNFBDYGYYDP-QHCPKHFHSA-N 1 1 404.470 3.770 40 0 HHABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@H+]1Cc1cccnc1N(C)C ZINC000072370313 558956789 /nfs/dbraw/zinc/95/67/89/558956789.db2.gz ZKXNQXKSIKYVLJ-KRWDZBQOSA-N 1 1 408.571 3.929 40 0 HHABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 ZINC000019688561 558958100 /nfs/dbraw/zinc/95/81/00/558958100.db2.gz FSBHEUQYLAWZEW-GOSISDBHSA-N 1 1 401.501 3.998 40 0 HHABMO CC(C)N(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(-c2cnc(N)nc2)cn1)C1CCCCC1 ZINC000019688906 558958408 /nfs/dbraw/zinc/95/84/08/558958408.db2.gz HUUYSNHMBGHUQQ-QFIPXVFZSA-N 1 1 422.577 3.827 40 0 HHABMO CC(C)N(C(=O)C[N@H+]1CCC[C@H]1c1ccc(-c2cnc(N)nc2)cn1)C1CCCCC1 ZINC000019688906 558958409 /nfs/dbraw/zinc/95/84/09/558958409.db2.gz HUUYSNHMBGHUQQ-QFIPXVFZSA-N 1 1 422.577 3.827 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)cn1 ZINC000019689802 558959182 /nfs/dbraw/zinc/95/91/82/558959182.db2.gz GQASPPLMWUNYNO-NRFANRHFSA-N 1 1 406.534 3.772 40 0 HHABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCC[N@H+]2CCc2ccccc2)n1 ZINC000019690431 558959838 /nfs/dbraw/zinc/95/98/38/558959838.db2.gz UUHLLZXUBNMONU-JOCHJYFZSA-N 1 1 415.541 3.688 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cc1 ZINC000072373012 558960790 /nfs/dbraw/zinc/96/07/90/558960790.db2.gz QUCPNANEXSEAES-NBGIEHNGSA-N 1 1 424.541 3.726 40 0 HHABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(NC(C)C)n[nH]c3n2)cc1 ZINC000072374500 558962139 /nfs/dbraw/zinc/96/21/39/558962139.db2.gz RGPVCQDCWWXTOT-LJQANCHMSA-N 1 1 408.506 3.562 40 0 HHABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(NC(C)C)n[nH]c3n2)cc1 ZINC000072374500 558962141 /nfs/dbraw/zinc/96/21/41/558962141.db2.gz RGPVCQDCWWXTOT-LJQANCHMSA-N 1 1 408.506 3.562 40 0 HHABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019694104 558962321 /nfs/dbraw/zinc/96/23/21/558962321.db2.gz DVUFJNSSIARYGF-SFHVURJKSA-N 1 1 408.525 3.770 40 0 HHABMO Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000072374777 558962748 /nfs/dbraw/zinc/96/27/48/558962748.db2.gz HNFGVJWSKXISCV-OAQYLSRUSA-N 1 1 405.521 3.965 40 0 HHABMO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@@H](c2nc(C)c3c(n2)N(C)CCC3)C1 ZINC000019707034 558969224 /nfs/dbraw/zinc/96/92/24/558969224.db2.gz PCRVWICQLBLPKI-LJQANCHMSA-N 1 1 404.562 3.812 40 0 HHABMO CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@@H+](C)CCc2ccccn2)C1 ZINC000072389824 558970261 /nfs/dbraw/zinc/97/02/61/558970261.db2.gz MKJCXKUZHXLBPW-GOSISDBHSA-N 1 1 405.546 3.748 40 0 HHABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@H]3c3ccc(C(=O)N4CCOCC4)cn3)ccc2O1 ZINC000019708754 558971192 /nfs/dbraw/zinc/97/11/92/558971192.db2.gz QOUJKLDDNDZBTG-QFIPXVFZSA-N 1 1 421.541 3.605 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1 ZINC000072391332 558971374 /nfs/dbraw/zinc/97/13/74/558971374.db2.gz RKPXXPBKAUEWLC-FQEVSTJZSA-N 1 1 403.530 3.993 40 0 HHABMO COc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)c1 ZINC000072395308 558974070 /nfs/dbraw/zinc/97/40/70/558974070.db2.gz QVTINLBUXJPXET-UTSGNWPNSA-N 1 1 404.514 3.518 40 0 HHABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)Nc1ccccc1)CC3 ZINC000096143897 559096257 /nfs/dbraw/zinc/09/62/57/559096257.db2.gz QKBDIVXFJZCOLQ-SQJMNOBHSA-N 1 1 424.589 3.655 40 0 HHABMO O=S(=O)(Cc1ccccc1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccccc2F)C1 ZINC000096214617 559101684 /nfs/dbraw/zinc/10/16/84/559101684.db2.gz WZDXZVNGDAHXAB-JOCHJYFZSA-N 1 1 402.535 3.786 40 0 HHABMO COc1cccc(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)c1 ZINC000096215644 559101785 /nfs/dbraw/zinc/10/17/85/559101785.db2.gz SUSOXKBMULWELJ-VWLOTQADSA-N 1 1 408.542 3.761 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1 ZINC000096215615 559101865 /nfs/dbraw/zinc/10/18/65/559101865.db2.gz HRZDHQNJUVTHHY-JOCHJYFZSA-N 1 1 418.534 3.511 40 0 HHABMO Cc1ccc(NC(=O)c2ccc3nnc([C@@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)cn1 ZINC000096267530 559108203 /nfs/dbraw/zinc/10/82/03/559108203.db2.gz SKEQOPSNJNNDDP-LJQANCHMSA-N 1 1 412.497 3.675 40 0 HHABMO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](CC(=O)Nc3ccc(F)cc3)[C@H]1CCCC(=O)N2 ZINC000585261723 559109324 /nfs/dbraw/zinc/10/93/24/559109324.db2.gz BUAIMCSWWCQBFK-DPLHUUCSSA-N 1 1 409.505 3.509 40 0 HHABMO O=C1CO[C@]2(CN1CCc1ccccc1)CCC[N@@H+](Cc1cccc3[nH]ccc31)CC2 ZINC000585261806 559109475 /nfs/dbraw/zinc/10/94/75/559109475.db2.gz PRNUHGOBHXHCBV-AREMUKBSSA-N 1 1 417.553 3.994 40 0 HHABMO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107798276 559166033 /nfs/dbraw/zinc/16/60/33/559166033.db2.gz PJEDUDSGQOSVRV-XUZZJYLKSA-N 1 1 423.988 3.690 40 0 HHABMO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2CN(C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107798276 559166035 /nfs/dbraw/zinc/16/60/35/559166035.db2.gz PJEDUDSGQOSVRV-XUZZJYLKSA-N 1 1 423.988 3.690 40 0 HHABMO O=C(C[NH+]1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccccc1C(F)(F)F ZINC000001380810 560582970 /nfs/dbraw/zinc/58/29/70/560582970.db2.gz GJDSSZOMZJPMHP-UHFFFAOYSA-N 1 1 421.398 3.865 40 0 HHABMO CCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCC[N@H+]1CC ZINC000004217027 560604104 /nfs/dbraw/zinc/60/41/04/560604104.db2.gz QWEDBBDPBOVKBG-FQEVSTJZSA-N 1 1 414.619 3.716 40 0 HHABMO O=C(C[NH+]1CCC(n2nnc3ccccc32)CC1)Nc1ccccc1C(F)(F)F ZINC000004895129 560610939 /nfs/dbraw/zinc/61/09/39/560610939.db2.gz NUWOJBJLHFYOPB-UHFFFAOYSA-N 1 1 403.408 3.726 40 0 HHABMO O=C(C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1CCCCC1)C2)NCc1ccc(F)cc1 ZINC000004908199 560617849 /nfs/dbraw/zinc/61/78/49/560617849.db2.gz UHJHLZCARMDRLI-FRIKZZABSA-N 1 1 415.553 3.524 40 0 HHABMO C=C1[NH+]=C(SCCC)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408990100 560662081 /nfs/dbraw/zinc/66/20/81/560662081.db2.gz MMFKZVSISUIJOX-QGZVFWFLSA-N 1 1 408.520 3.693 40 0 HHABMO CC(C)C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000017090053 560864841 /nfs/dbraw/zinc/86/48/41/560864841.db2.gz NFVAHULCSIDQSQ-UHFFFAOYSA-N 1 1 414.550 3.617 40 0 HHABMO COc1ccc(C[N@@H+]2CCN(Cc3ccccc3F)C[C@H]2C)c(Cn2cccn2)c1 ZINC000057731476 568496509 /nfs/dbraw/zinc/49/65/09/568496509.db2.gz CXLRIDZGJWUJRF-LJQANCHMSA-N 1 1 408.521 3.785 40 0 HHABMO COc1ccc(C[N@H+]2CCN(Cc3ccccc3F)C[C@H]2C)c(Cn2cccn2)c1 ZINC000057731476 568496511 /nfs/dbraw/zinc/49/65/11/568496511.db2.gz CXLRIDZGJWUJRF-LJQANCHMSA-N 1 1 408.521 3.785 40 0 HHABMO CCOc1ccc(S(=O)(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1C ZINC000222997477 568533725 /nfs/dbraw/zinc/53/37/25/568533725.db2.gz HKJFSJXHBSCPJB-UHFFFAOYSA-N 1 1 419.934 3.986 40 0 HHABMO O=C(CSCc1c(F)cccc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224541992 568584410 /nfs/dbraw/zinc/58/44/10/568584410.db2.gz STRYZKVUXYQPJX-UHFFFAOYSA-N 1 1 422.953 3.861 40 0 HHABMO S=C(NCCC[NH+]1CCOCC1)Nc1cccnc1Sc1ccc(Cl)cc1 ZINC000225192222 568621609 /nfs/dbraw/zinc/62/16/09/568621609.db2.gz KOVOSUYJNYHGNW-UHFFFAOYSA-N 1 1 423.007 3.895 40 0 HHABMO COc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cn4cc[nH+]c4C)cc3)n2)cc1 ZINC000225300355 568628503 /nfs/dbraw/zinc/62/85/03/568628503.db2.gz MMVLACMJVWQCRC-UHFFFAOYSA-N 1 1 417.469 3.571 40 0 HHABMO CCOc1ccc(-c2nnc([C@H]([NH3+])c3ccc(OCC)c(OCC)c3)[nH]2)cc1OC ZINC000095534632 568635868 /nfs/dbraw/zinc/63/58/68/568635868.db2.gz SOPQWLBIDDLGIM-HXUWFJFHSA-N 1 1 412.490 3.725 40 0 HHABMO O=C(Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1)N1CCCC1 ZINC000225901764 568684740 /nfs/dbraw/zinc/68/47/40/568684740.db2.gz MPOKYSZYCIWTNQ-QFIPXVFZSA-N 1 1 405.542 3.702 40 0 HHABMO Cc1cccnc1Nc1cncc(C2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)n1 ZINC000257204169 568777345 /nfs/dbraw/zinc/77/73/45/568777345.db2.gz ATIFQPPSLMQVNG-UHFFFAOYSA-N 1 1 422.577 3.894 40 0 HHABMO Cn1nc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)cc1CCOc1ccccc1F ZINC000257224040 568783172 /nfs/dbraw/zinc/78/31/72/568783172.db2.gz FABFMGHCMAJQHK-DEOSSOPVSA-N 1 1 409.505 3.797 40 0 HHABMO Cn1nc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1CCOc1ccccc1F ZINC000257224040 568783175 /nfs/dbraw/zinc/78/31/75/568783175.db2.gz FABFMGHCMAJQHK-DEOSSOPVSA-N 1 1 409.505 3.797 40 0 HHABMO COc1ccc(C[N@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c(C)c1C ZINC000257264311 568794059 /nfs/dbraw/zinc/79/40/59/568794059.db2.gz LTVNMNRMLSCTGJ-OAQYLSRUSA-N 1 1 424.589 3.775 40 0 HHABMO Cn1nc([C@H]2C[N@H+](CC3CC3)CCO2)cc1CCOc1ccc(C(F)(F)F)cc1 ZINC000257284138 568799724 /nfs/dbraw/zinc/79/97/24/568799724.db2.gz PBJCQKCRSSUCAO-HXUWFJFHSA-N 1 1 409.452 3.844 40 0 HHABMO Cn1nc([C@H]2C[N@@H+](CC3CC3)CCO2)cc1CCOc1ccc(C(F)(F)F)cc1 ZINC000257284138 568799727 /nfs/dbraw/zinc/79/97/27/568799727.db2.gz PBJCQKCRSSUCAO-HXUWFJFHSA-N 1 1 409.452 3.844 40 0 HHABMO Cc1noc(CCC(=O)N2[C@H](Cc3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)n1 ZINC000257304527 568805971 /nfs/dbraw/zinc/80/59/71/568805971.db2.gz SMBIUYZYLYDNRD-DPLHUUCSSA-N 1 1 410.562 3.787 40 0 HHABMO CC[N@H+]1CC[C@H](CNC(=O)C2(Cc3cccc(-c4cccnc4)c3)CCOCC2)C1 ZINC000257305985 568806311 /nfs/dbraw/zinc/80/63/11/568806311.db2.gz SSJAJUCTPUDIMH-OAQYLSRUSA-N 1 1 407.558 3.546 40 0 HHABMO c1cc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccc6c(c5)OCO6)C4)nn3c2)ccn1 ZINC000306125660 568888406 /nfs/dbraw/zinc/88/84/06/568888406.db2.gz CXFGWGXFCBCPDN-FQEVSTJZSA-N 1 1 413.481 3.900 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4sccc4C)C[C@@H]32)cc1 ZINC000306126313 568889199 /nfs/dbraw/zinc/88/91/99/568889199.db2.gz DSHYZWBZAJXILH-RTWAWAEBSA-N 1 1 407.539 3.948 40 0 HHABMO Cc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)cc1 ZINC000306128336 568891120 /nfs/dbraw/zinc/89/11/20/568891120.db2.gz GXOXYEBFXGKTGK-DEOSSOPVSA-N 1 1 403.482 3.762 40 0 HHABMO COCCN1CC[C@@]2(C[N@@H+](Cc3cc(C)cc(C)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306130469 568892851 /nfs/dbraw/zinc/89/28/51/568892851.db2.gz JHJDGWCBPRRDAH-RDGATRHJSA-N 1 1 424.589 3.545 40 0 HHABMO COc1ccccc1C[N@@H+]1CCO[C@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306130701 568893075 /nfs/dbraw/zinc/89/30/75/568893075.db2.gz JNDDXIPSAOGKLB-JTHBVZDNSA-N 1 1 414.571 3.629 40 0 HHABMO COc1ccccc1C[N@H+]1CCO[C@]2(CCCC[C@@H]2NC(=O)Cc2cccs2)C1 ZINC000306130701 568893076 /nfs/dbraw/zinc/89/30/76/568893076.db2.gz JNDDXIPSAOGKLB-JTHBVZDNSA-N 1 1 414.571 3.629 40 0 HHABMO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1ccccc1F)CCO2 ZINC000306131431 568893547 /nfs/dbraw/zinc/89/35/47/568893547.db2.gz KECAKDXFGWVTMC-WIYYLYMNSA-N 1 1 403.523 3.534 40 0 HHABMO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1ccccc1F)CCO2 ZINC000306131431 568893550 /nfs/dbraw/zinc/89/35/50/568893550.db2.gz KECAKDXFGWVTMC-WIYYLYMNSA-N 1 1 403.523 3.534 40 0 HHABMO COc1ncccc1C[N@H+]1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306131515 568893556 /nfs/dbraw/zinc/89/35/56/568893556.db2.gz KHFBAYRNLYXHHV-LJQANCHMSA-N 1 1 400.486 3.575 40 0 HHABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3ccccc3F)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306131373 568893648 /nfs/dbraw/zinc/89/36/48/568893648.db2.gz KCUFCLVHQPOPAK-GBXCKJPGSA-N 1 1 410.537 3.831 40 0 HHABMO c1cncc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccc6c(c5)OCO6)C4)nn3c2)c1 ZINC000306134612 568896607 /nfs/dbraw/zinc/89/66/07/568896607.db2.gz NTMPLAMSDFSABU-HXUWFJFHSA-N 1 1 413.481 3.900 40 0 HHABMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccnc4c(C(=O)N5CCCC5)ncn43)C2)cc1C ZINC000306136107 568898007 /nfs/dbraw/zinc/89/80/07/568898007.db2.gz PJMXFDBVLDAKRF-HXUWFJFHSA-N 1 1 403.530 3.572 40 0 HHABMO CN1CCN(C(=O)c2ccsc2)C[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306137683 568899641 /nfs/dbraw/zinc/89/96/41/568899641.db2.gz RDBNUIPDSLVGEZ-HXUWFJFHSA-N 1 1 403.511 3.587 40 0 HHABMO Cc1cnc(C(=O)N[C@@H]2CCCC[C@]23C[N@@H+](C[C@@H]2CCC(C)=C[C@@H]2C)CCO3)cn1 ZINC000306139182 568900766 /nfs/dbraw/zinc/90/07/66/568900766.db2.gz SRMVJUOZJKXZBS-UXEORXRVSA-N 1 1 412.578 3.521 40 0 HHABMO CC(C)c1nc(N[C@@H](C)CO)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329057226 568974971 /nfs/dbraw/zinc/97/49/71/568974971.db2.gz VWDOHPDNTWJBNM-ZDUSSCGKSA-N 1 1 405.340 3.718 40 0 HHABMO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000035075018 569027781 /nfs/dbraw/zinc/02/77/81/569027781.db2.gz QGLFZRGNXFHVJW-QENXHYHDSA-N 1 1 400.607 3.787 40 0 HHABMO O=C(CCc1ccc2c(c1)CCO2)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199321 569059036 /nfs/dbraw/zinc/05/90/36/569059036.db2.gz ZRBXXIDEDYNXKB-DUOVIKOCSA-N 1 1 406.570 3.976 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CC3)c3ccccn3)C2)c1OC ZINC000019567729 569345641 /nfs/dbraw/zinc/34/56/41/569345641.db2.gz QUDIYISPMHIWQV-PGRDOPGGSA-N 1 1 409.530 3.578 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)c1OC ZINC000019567741 569345716 /nfs/dbraw/zinc/34/57/16/569345716.db2.gz NYOKLTCMXIMYEY-QFBILLFUSA-N 1 1 415.559 3.640 40 0 HHABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000019570232 569345780 /nfs/dbraw/zinc/34/57/80/569345780.db2.gz AUUQDGNDGZBZLJ-HYBUGGRVSA-N 1 1 416.525 3.869 40 0 HHABMO CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000019695999 569428599 /nfs/dbraw/zinc/42/85/99/569428599.db2.gz NWTOHWSGRNQTCM-DEOSSOPVSA-N 1 1 423.488 3.540 40 0 HHABMO COCCOc1cccc(C[N@H+]2[C@@H]3CCCC(=O)N[C@H]3C[C@H]2c2ccccc2F)c1 ZINC000019711741 569428935 /nfs/dbraw/zinc/42/89/35/569428935.db2.gz NCZRDAOUVDWMQT-ZRBLBEILSA-N 1 1 412.505 3.835 40 0 HHABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(OC)cc3)n2)cn1 ZINC000035425151 291251302 /nfs/dbraw/zinc/25/13/02/291251302.db2.gz XBRIMMOLZYYZOO-IBGZPJMESA-N 1 1 409.490 3.536 40 0 biogenic,in-vitro HHABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(OC)cc3)n2)cn1 ZINC000035425151 291251303 /nfs/dbraw/zinc/25/13/03/291251303.db2.gz XBRIMMOLZYYZOO-IBGZPJMESA-N 1 1 409.490 3.536 40 0 biogenic,in-vitro HHABMO COc1ccc(-c2cc(CC3([NH2+]Cc4cnc5ccccc5c4)COC3)no2)cc1 ZINC000067898339 291253802 /nfs/dbraw/zinc/25/38/02/291253802.db2.gz VQPSSZKQPHIQRH-UHFFFAOYSA-N 1 1 401.466 4.000 40 0 biogenic,in-vitro HHABMO CCCCNC(=O)[C@H]1C[C@H]2c3cccc4[nH]c(Br)c(c43)C[C@@H]2[N@@H+](C)C1 ZINC000005179329 557638954 /nfs/dbraw/zinc/63/89/54/557638954.db2.gz LTNOUVDGXDBIHL-JDFRZJQESA-N 1 1 404.352 3.807 40 0 HHABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752934 558272181 /nfs/dbraw/zinc/27/21/81/558272181.db2.gz GTFOFVZTLGHMQL-OAQYLSRUSA-N 1 1 414.557 3.907 40 0 HHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2I)cc1 ZINC000019934031 558311426 /nfs/dbraw/zinc/31/14/26/558311426.db2.gz GMHPKEVOUFTPAD-UHFFFAOYSA-N 1 1 417.250 3.715 40 0 HHABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000020104224 558332805 /nfs/dbraw/zinc/33/28/05/558332805.db2.gz NNVWIWUPZRBJQJ-UHFFFAOYSA-N 1 1 420.332 3.563 40 0 HHABMO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000012147604 558338432 /nfs/dbraw/zinc/33/84/32/558338432.db2.gz RWKSJONSABLDMA-UHFFFAOYSA-N 1 1 406.505 3.698 40 0 HHABMO CCOc1ccc(C[N@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cc1 ZINC000012275828 558364228 /nfs/dbraw/zinc/36/42/28/558364228.db2.gz QEMLNAZXIZMGIR-UHFFFAOYSA-N 1 1 404.470 3.960 40 0 HHABMO CCC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000012365816 558388102 /nfs/dbraw/zinc/38/81/02/558388102.db2.gz HGXGWBLBQOCZFZ-JXFKEZNVSA-N 1 1 403.548 3.640 40 0 HHABMO CC[NH+](CC)[C@@H]1Oc2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@@H]1C)OCO3 ZINC000031861719 558753247 /nfs/dbraw/zinc/75/32/47/558753247.db2.gz OMMBEWHNDYJBLZ-VKCVVMHYSA-N 1 1 415.486 3.966 40 0 HHABMO COc1cc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@H]2C)OCO4)cc(OC)c1O ZINC000031861712 558753276 /nfs/dbraw/zinc/75/32/76/558753276.db2.gz MPDXBMJHDYBXLL-PWJBXEHMSA-N 1 1 413.470 3.720 40 0 HHABMO O=C(C1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014675 558836755 /nfs/dbraw/zinc/83/67/55/558836755.db2.gz IDCANCLTPTXLHW-GOSISDBHSA-N 1 1 412.578 3.769 40 0 HHABMO Cc1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1c1cc2nc(C)cc(C(F)(F)F)n2n1 ZINC000019116681 558842075 /nfs/dbraw/zinc/84/20/75/558842075.db2.gz FMDNWWVLPKYLBL-MRXNPFEDSA-N 1 1 420.439 3.705 40 0 HHABMO COCC[N@H+]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)Cc3ccccc3C)CC2)C1 ZINC000019237049 558856278 /nfs/dbraw/zinc/85/62/78/558856278.db2.gz ONNKHJKXPBHYLP-DEOSSOPVSA-N 1 1 422.569 3.619 40 0 HHABMO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@H+](Cc1cccc(OCc3ccccn3)c1)C2 ZINC000019291401 558863769 /nfs/dbraw/zinc/86/37/69/558863769.db2.gz ZXQOVDKEGLVHFZ-KEVCNVLYSA-N 1 1 418.541 3.514 40 0 HHABMO c1[nH]nc([C@H]2CCC[N@H+](CCc3ccccc3)C2)c1-c1ccnc(N2CCCC2)n1 ZINC000019371264 558879238 /nfs/dbraw/zinc/87/92/38/558879238.db2.gz PTVZJRWWIAZWCX-FQEVSTJZSA-N 1 1 402.546 3.889 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](CC2=CCCOC2)C1)c1cccc(F)c1 ZINC000019400439 558883122 /nfs/dbraw/zinc/88/31/22/558883122.db2.gz KJUIGHUOUUAGGZ-NZQKXSOJSA-N 1 1 409.505 3.751 40 0 HHABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)[C@@H]1CCCO1 ZINC000019400691 558883366 /nfs/dbraw/zinc/88/33/66/558883366.db2.gz FCJWSRJSGDQLJE-PIPMEXSNSA-N 1 1 415.484 3.608 40 0 HHABMO CC(C)Cc1cc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)n(C)n1 ZINC000019447467 558886475 /nfs/dbraw/zinc/88/64/75/558886475.db2.gz DLHSGZCLGQZTQU-UHFFFAOYSA-N 1 1 408.550 3.744 40 0 HHABMO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019462461 558894133 /nfs/dbraw/zinc/89/41/33/558894133.db2.gz WFBBSBFCSMPOSS-RGCFKVTRSA-N 1 1 418.994 3.879 40 0 HHABMO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000019462461 558894134 /nfs/dbraw/zinc/89/41/34/558894134.db2.gz WFBBSBFCSMPOSS-RGCFKVTRSA-N 1 1 418.994 3.879 40 0 HHABMO CCN1CC[N@@H+](Cc2ccccn2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527401 558908562 /nfs/dbraw/zinc/90/85/62/558908562.db2.gz VRIVPEXPINBKHM-QHCPKHFHSA-N 1 1 400.526 3.667 40 0 HHABMO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019528748 558910045 /nfs/dbraw/zinc/91/00/45/558910045.db2.gz CIEDHDASILZBFN-XMMPIXPASA-N 1 1 404.514 3.698 40 0 HHABMO CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000019530047 558911257 /nfs/dbraw/zinc/91/12/57/558911257.db2.gz DUFAETVUVTZTPF-SBUREZEXSA-N 1 1 416.493 3.705 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019555125 558917910 /nfs/dbraw/zinc/91/79/10/558917910.db2.gz UKUDXBZGSLXTIS-LJQANCHMSA-N 1 1 418.545 3.855 40 0 HHABMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](c2cc(C(=O)N3CCC(C)CC3)on2)C1 ZINC000019554940 558917937 /nfs/dbraw/zinc/91/79/37/558917937.db2.gz GTAWQKXIXHSXNX-LJQANCHMSA-N 1 1 421.545 3.882 40 0 HHABMO Cc1cc(NC(=O)[C@H](C)Cn2cc(Cl)cn2)ccc1NC(=O)C[NH+]1CCCCC1 ZINC000019570953 558929676 /nfs/dbraw/zinc/92/96/76/558929676.db2.gz YWQLTYKICXAPKE-MRXNPFEDSA-N 1 1 417.941 3.544 40 0 HHABMO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@H+](CC(=O)N3CCc4ccccc43)C2)n1 ZINC000072334717 558935913 /nfs/dbraw/zinc/93/59/13/558935913.db2.gz HYYCISZZUWYNCT-NRFANRHFSA-N 1 1 413.525 3.616 40 0 HHABMO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@@H+](CC(=O)N3CCc4ccccc43)C2)n1 ZINC000072334717 558935915 /nfs/dbraw/zinc/93/59/15/558935915.db2.gz HYYCISZZUWYNCT-NRFANRHFSA-N 1 1 413.525 3.616 40 0 HHABMO CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019591322 558941649 /nfs/dbraw/zinc/94/16/49/558941649.db2.gz LXFWPVDHPDVZRO-RUZDIDTESA-N 1 1 400.526 3.715 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000019591720 558942404 /nfs/dbraw/zinc/94/24/04/558942404.db2.gz IJKMWFVYSOHXAA-AREMUKBSSA-N 1 1 415.537 3.938 40 0 HHABMO COc1ncc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc3ccccc32)c(OC)n1 ZINC000019594793 558945592 /nfs/dbraw/zinc/94/55/92/558945592.db2.gz NJZIJYGSBYXWQH-QRQCMCJISA-N 1 1 405.498 3.662 40 0 HHABMO Cc1cc(C)nc(Nc2ccc([C@@H]3CCC[N@H+](CC(=O)N4CCC(C)CC4)C3)nc2)n1 ZINC000072353276 558950158 /nfs/dbraw/zinc/95/01/58/558950158.db2.gz GMEGZTCTFXQYND-HXUWFJFHSA-N 1 1 422.577 3.670 40 0 HHABMO C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019661563 558952711 /nfs/dbraw/zinc/95/27/11/558952711.db2.gz AVKDKVMVGYIELU-MRXNPFEDSA-N 1 1 407.436 3.602 40 0 HHABMO C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019661563 558952714 /nfs/dbraw/zinc/95/27/14/558952714.db2.gz AVKDKVMVGYIELU-MRXNPFEDSA-N 1 1 407.436 3.602 40 0 HHABMO CNC(=O)c1cc([C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)nc2ccccc21 ZINC000072356246 558953146 /nfs/dbraw/zinc/95/31/46/558953146.db2.gz JCGDOYGOXWDYPH-QHCPKHFHSA-N 1 1 400.482 3.649 40 0 HHABMO CNC(=O)c1cc([C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)nc2ccccc21 ZINC000072356246 558953147 /nfs/dbraw/zinc/95/31/47/558953147.db2.gz JCGDOYGOXWDYPH-QHCPKHFHSA-N 1 1 400.482 3.649 40 0 HHABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000072370564 558957033 /nfs/dbraw/zinc/95/70/33/558957033.db2.gz RYUFKVHHBVGREJ-QGZVFWFLSA-N 1 1 423.586 3.714 40 0 HHABMO Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(C[N@@H+](C)C3CCCC3)nc21 ZINC000072371044 558957416 /nfs/dbraw/zinc/95/74/16/558957416.db2.gz PZRIZFYYYQFPTH-UHFFFAOYSA-N 1 1 408.546 3.826 40 0 HHABMO Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(C[N@H+](C)C3CCCC3)nc21 ZINC000072371044 558957418 /nfs/dbraw/zinc/95/74/18/558957418.db2.gz PZRIZFYYYQFPTH-UHFFFAOYSA-N 1 1 408.546 3.826 40 0 HHABMO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCC[N@H+]2Cc2ccccc2F)n1 ZINC000019690454 558960018 /nfs/dbraw/zinc/96/00/18/558960018.db2.gz BBFABOFZGNTHHK-NRFANRHFSA-N 1 1 419.504 3.785 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@H]2c2cc(-c3ccc(C(=O)NC)nc3)cc(C)n2)c(C)n1 ZINC000019691025 558960666 /nfs/dbraw/zinc/96/06/66/558960666.db2.gz TUXVDXRCCZCRMD-QHCPKHFHSA-N 1 1 418.545 3.674 40 0 HHABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 ZINC000019694078 558962278 /nfs/dbraw/zinc/96/22/78/558962278.db2.gz JIZIBNLRUVLXHX-SFHVURJKSA-N 1 1 408.525 3.770 40 0 HHABMO CNc1cc(Nc2nccc([C@@H]3CCC[N@@H+](CCCc4ccccc4)C3)n2)ncn1 ZINC000072377918 558967168 /nfs/dbraw/zinc/96/71/68/558967168.db2.gz NLUNTYHGDMLKFW-LJQANCHMSA-N 1 1 403.534 3.864 40 0 HHABMO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072395946 558974950 /nfs/dbraw/zinc/97/49/50/558974950.db2.gz HHRUONSWPKAVKU-DEOSSOPVSA-N 1 1 404.514 3.698 40 0 HHABMO Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCC[N@H+](C4CCOCC4)C3)on2)cc1 ZINC000072396049 558975029 /nfs/dbraw/zinc/97/50/29/558975029.db2.gz JXBAXCXZVUZFGM-DEOSSOPVSA-N 1 1 411.546 3.542 40 0 HHABMO C[NH+](C)[C@@H](C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000019716706 558978873 /nfs/dbraw/zinc/97/88/73/558978873.db2.gz QABZJXUFLUCZDI-GOSISDBHSA-N 1 1 409.313 3.726 40 0 HHABMO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@@H+](Cc1nc3ccccn3c1C)CC2 ZINC000585099831 559024542 /nfs/dbraw/zinc/02/45/42/559024542.db2.gz DHYXWACPCZUWHZ-DEOSSOPVSA-N 1 1 421.545 3.795 40 0 HHABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)c2ccnc(C(F)(F)F)c2)C3)s1 ZINC000585101884 559024926 /nfs/dbraw/zinc/02/49/26/559024926.db2.gz JYWHGNADMNQGLX-SFHVURJKSA-N 1 1 410.465 3.746 40 0 HHABMO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)c2ccnc(C(F)(F)F)c2)C3)s1 ZINC000585101884 559024927 /nfs/dbraw/zinc/02/49/27/559024927.db2.gz JYWHGNADMNQGLX-SFHVURJKSA-N 1 1 410.465 3.746 40 0 HHABMO Cc1noc(C)c1C[N@@H+]1CC[C@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102097 559025279 /nfs/dbraw/zinc/02/52/79/559025279.db2.gz RGSNJZLQSQGENQ-IBGZPJMESA-N 1 1 408.424 3.586 40 0 HHABMO Cc1noc(C)c1C[N@H+]1CC[C@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102097 559025281 /nfs/dbraw/zinc/02/52/81/559025281.db2.gz RGSNJZLQSQGENQ-IBGZPJMESA-N 1 1 408.424 3.586 40 0 HHABMO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000585102973 559026342 /nfs/dbraw/zinc/02/63/42/559026342.db2.gz ADQTUKQBTYWPNM-QFIPXVFZSA-N 1 1 407.558 3.787 40 0 HHABMO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[N@@H+](CCOC)C(C)C)C2)CC1 ZINC000585104534 559027034 /nfs/dbraw/zinc/02/70/34/559027034.db2.gz QACFOQDSAWMNKG-NRFANRHFSA-N 1 1 402.579 3.617 40 0 HHABMO COCC[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(C)c(F)c1)CC2)C(C)C ZINC000585104812 559027342 /nfs/dbraw/zinc/02/73/42/559027342.db2.gz SZGCQKVYPWQGAI-HXUWFJFHSA-N 1 1 406.542 3.502 40 0 HHABMO C[N@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)c3cccc(Cl)c3)CC[C@@H]12 ZINC000096145274 559097204 /nfs/dbraw/zinc/09/72/04/559097204.db2.gz KSJVLSMECNSOHG-NFBKMPQASA-N 1 1 411.933 3.905 40 0 HHABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](CC(=O)NC(C)(C)Cc3ccccc3)CC2)cc1 ZINC000585274360 559118649 /nfs/dbraw/zinc/11/86/49/559118649.db2.gz WECMHZVHCKXGFM-AREMUKBSSA-N 1 1 424.585 3.728 40 0 HHABMO COc1ccc(CCC2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000104127601 559158288 /nfs/dbraw/zinc/15/82/88/559158288.db2.gz VQDFGASYISOMOX-QFIPXVFZSA-N 1 1 410.489 3.811 40 0 HHABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCCCCC3)cc2c1 ZINC000000782704 559279311 /nfs/dbraw/zinc/27/93/11/559279311.db2.gz IHTNMLSZBWUQFW-HXUWFJFHSA-N 1 1 424.549 3.634 40 0 HHABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2OCc2cccc(F)c2)C1 ZINC000257283051 559285360 /nfs/dbraw/zinc/28/53/60/559285360.db2.gz OWOVCPGJLULNDQ-RUZDIDTESA-N 1 1 419.500 3.819 40 0 HHABMO CCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCC[N@H+]1CC ZINC000004217032 560604088 /nfs/dbraw/zinc/60/40/88/560604088.db2.gz QWEDBBDPBOVKBG-HXUWFJFHSA-N 1 1 414.619 3.716 40 0 HHABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1I ZINC000010543045 560770217 /nfs/dbraw/zinc/77/02/17/560770217.db2.gz MWUXEYKLEZNDTA-CQSZACIVSA-N 1 1 400.304 3.676 40 0 HHABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000010544197 560770375 /nfs/dbraw/zinc/77/03/75/560770375.db2.gz GXQKMVHBMNIMIU-ZDUSSCGKSA-N 1 1 409.379 3.935 40 0 HHABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2Cl)CC1 ZINC000017093500 560868144 /nfs/dbraw/zinc/86/81/44/560868144.db2.gz HQIBPUNTPRNFIO-UHFFFAOYSA-N 1 1 423.369 3.872 40 0 HHABMO c1ccc(C[NH+]2CCN([C@@H](c3nnnn3C3CCCC3)c3ccccc3)CC2)cc1 ZINC000019372126 560872888 /nfs/dbraw/zinc/87/28/88/560872888.db2.gz HWKXWVOBVCWCPG-HSZRJFAPSA-N 1 1 402.546 3.695 40 0 HHABMO COc1ccc(C)cc1S(=O)(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222982948 568533109 /nfs/dbraw/zinc/53/31/09/568533109.db2.gz KVDKBVBLUKNOTQ-UHFFFAOYSA-N 1 1 405.907 3.596 40 0 HHABMO CCOc1ccc(S(=O)(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000223002674 568534015 /nfs/dbraw/zinc/53/40/15/568534015.db2.gz UDEUCKWRYYOFBG-UHFFFAOYSA-N 1 1 405.907 3.677 40 0 HHABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000224541551 568584251 /nfs/dbraw/zinc/58/42/51/568584251.db2.gz VBEFVJBERGLUAG-JJIBRWJFSA-N 1 1 402.494 3.969 40 0 HHABMO COc1ccc(-c2cnc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000224853291 568600446 /nfs/dbraw/zinc/60/04/46/568600446.db2.gz WIDPCEBKEVBIJF-UHFFFAOYSA-N 1 1 405.498 3.627 40 0 HHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1 ZINC000225300718 568628619 /nfs/dbraw/zinc/62/86/19/568628619.db2.gz TXBYBSBTNJHSLB-UHFFFAOYSA-N 1 1 401.470 3.870 40 0 HHABMO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(OCC)c(OCC)c3)[nH]2)cc1OC ZINC000095534633 568635638 /nfs/dbraw/zinc/63/56/38/568635638.db2.gz SOPQWLBIDDLGIM-FQEVSTJZSA-N 1 1 412.490 3.725 40 0 HHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(N2CCCC2=O)cc1 ZINC000225450916 568639085 /nfs/dbraw/zinc/63/90/85/568639085.db2.gz FXCBRNJHCVMVMC-UHFFFAOYSA-N 1 1 405.527 3.794 40 0 HHABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)C1 ZINC000225588088 568655041 /nfs/dbraw/zinc/65/50/41/568655041.db2.gz GEDYOODNJVDOHK-QGZVFWFLSA-N 1 1 409.977 3.929 40 0 HHABMO COc1ccc2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4C)cc3)ccc2c1 ZINC000225722874 568667987 /nfs/dbraw/zinc/66/79/87/568667987.db2.gz FHVLNLFFWUKRST-UHFFFAOYSA-N 1 1 407.495 3.821 40 0 HHABMO O=C(c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1)N1CCCCC1 ZINC000257204127 568777371 /nfs/dbraw/zinc/77/73/71/568777371.db2.gz ATDHUBCHSHJSIP-IBGZPJMESA-N 1 1 403.530 3.964 40 0 HHABMO O=C(C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)NCc1cccs1 ZINC000257268738 568795388 /nfs/dbraw/zinc/79/53/88/568795388.db2.gz MMYNRCHQHKICCY-UHFFFAOYSA-N 1 1 407.543 3.778 40 0 HHABMO CNC(=O)c1sc2nc([C@@H]3CCC[N@@H+]3Cc3cc(F)cc(F)c3)ccc2c1N ZINC000257309251 568807278 /nfs/dbraw/zinc/80/72/78/568807278.db2.gz UAFRXRCNZYVTTO-INIZCTEOSA-N 1 1 402.470 3.853 40 0 HHABMO CNC(=O)c1sc2nc([C@@H]3CCC[N@H+]3Cc3cc(F)cc(F)c3)ccc2c1N ZINC000257309251 568807279 /nfs/dbraw/zinc/80/72/79/568807279.db2.gz UAFRXRCNZYVTTO-INIZCTEOSA-N 1 1 402.470 3.853 40 0 HHABMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(OC)c2)o1 ZINC000257321499 568810896 /nfs/dbraw/zinc/81/08/96/568810896.db2.gz WBXWWWNHNWCCCZ-HXUWFJFHSA-N 1 1 408.502 3.787 40 0 HHABMO CN(C)C(=O)c1sc2nc([C@H]3CCCC[N@@H+]3Cc3cncs3)ccc2c1N ZINC000257334650 568814307 /nfs/dbraw/zinc/81/43/07/568814307.db2.gz YGUYTMFNXGTVNT-OAHLLOKOSA-N 1 1 401.561 3.764 40 0 HHABMO CN(C)C(=O)c1sc2nc([C@H]3CCCC[N@H+]3Cc3cncs3)ccc2c1N ZINC000257334650 568814310 /nfs/dbraw/zinc/81/43/10/568814310.db2.gz YGUYTMFNXGTVNT-OAHLLOKOSA-N 1 1 401.561 3.764 40 0 HHABMO FC(F)(F)c1ccc(-n2ncc3c2COC[C@@H]3[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000306125708 568888398 /nfs/dbraw/zinc/88/83/98/568888398.db2.gz CZBPIFWMNXUDNY-KRWDZBQOSA-N 1 1 417.387 3.981 40 0 HHABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306126135 568888795 /nfs/dbraw/zinc/88/87/95/568888795.db2.gz DOANAYSLPFOABI-URXFXBBRSA-N 1 1 410.537 3.831 40 0 HHABMO CC(C)n1cc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cn1 ZINC000306126132 568888803 /nfs/dbraw/zinc/88/88/03/568888803.db2.gz DOAAEQCEJFVTAA-NRFANRHFSA-N 1 1 401.518 3.948 40 0 HHABMO Cc1cccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccc5c(c4)OCO5)C2)OC3)c1 ZINC000306130877 568893414 /nfs/dbraw/zinc/89/34/14/568893414.db2.gz JRTDMISHIWPRKC-DEOSSOPVSA-N 1 1 403.482 3.762 40 0 HHABMO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1ccccc1F)CCO2 ZINC000306131429 568893709 /nfs/dbraw/zinc/89/37/09/568893709.db2.gz KECAKDXFGWVTMC-NQIIRXRSSA-N 1 1 403.523 3.534 40 0 HHABMO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1ccccc1F)CCO2 ZINC000306131429 568893710 /nfs/dbraw/zinc/89/37/10/568893710.db2.gz KECAKDXFGWVTMC-NQIIRXRSSA-N 1 1 403.523 3.534 40 0 HHABMO CCc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306137668 568899520 /nfs/dbraw/zinc/89/95/20/568899520.db2.gz RCTCCDNDTHMQGQ-YADHBBJMSA-N 1 1 406.555 3.897 40 0 HHABMO COc1ccccc1-c1cnc2n1C[C@]1(CC[N@@H+](Cc3ccc4c(c3)OCO4)C1)C2 ZINC000306139768 568901548 /nfs/dbraw/zinc/90/15/48/568901548.db2.gz UABCKKAEWHTUOW-XMMPIXPASA-N 1 1 403.482 3.736 40 0 HHABMO CCC[N@@H+](CCN1CCN(c2ccccc2OC)CC1)[C@@H]1CCc2ncsc2C1 ZINC000095641926 568936325 /nfs/dbraw/zinc/93/63/25/568936325.db2.gz RSWFSOOHVWOZQI-LJQANCHMSA-N 1 1 414.619 3.543 40 0 HHABMO COc1cc2c(cc1OC)CN(c1cc(C(C)C)[nH+]c(N[C@@H](CO)C(C)C)n1)CC2 ZINC000328967558 568970224 /nfs/dbraw/zinc/97/02/24/568970224.db2.gz CVGYZTOULFCOTE-IBGZPJMESA-N 1 1 414.550 3.609 40 0 HHABMO OCCCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C2CC2)n1 ZINC000328993774 568971738 /nfs/dbraw/zinc/97/17/38/568971738.db2.gz JBPAHJHFRAYRQR-UHFFFAOYSA-N 1 1 408.424 3.610 40 0 HHABMO Cc1nc(N[C@@H](CO)C(C)C)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000329013996 568972612 /nfs/dbraw/zinc/97/26/12/568972612.db2.gz MTIKVFJBWDRHDD-KRWDZBQOSA-N 1 1 410.440 3.675 40 0 HHABMO C[C@H](CO)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)[nH+]1 ZINC000329039115 568974117 /nfs/dbraw/zinc/97/41/17/568974117.db2.gz RVLYMKMVHLADDU-GFCCVEGCSA-N 1 1 408.424 3.608 40 0 HHABMO C[C@H](CO)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C2CC2)n1 ZINC000329039115 568974120 /nfs/dbraw/zinc/97/41/20/568974120.db2.gz RVLYMKMVHLADDU-GFCCVEGCSA-N 1 1 408.424 3.608 40 0 HHABMO C=C1[NH+]=C(SC(C)C)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000033785015 569351376 /nfs/dbraw/zinc/35/13/76/569351376.db2.gz ROUUXRFTISVOAO-QGZVFWFLSA-N 1 1 408.520 3.691 40 0 HHABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000072345941 527073553 /nfs/dbraw/zinc/07/35/53/527073553.db2.gz MJRWIJIBBXWLRO-SFHVURJKSA-N 1 1 421.932 3.858 40 0 HHABMO COc1cccc(C(=S)N2CC[NH+](C)CC2)c1OCc1c(F)cccc1Cl ZINC000408572246 557469510 /nfs/dbraw/zinc/46/95/10/557469510.db2.gz FVKLHJBHEZJJRL-UHFFFAOYSA-N 1 1 408.926 3.990 40 0 HHABMO Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000408628565 557562610 /nfs/dbraw/zinc/56/26/10/557562610.db2.gz UXBWROAIBSCXCT-UHFFFAOYSA-N 1 1 402.951 3.527 40 0 HHABMO Cc1nc(NCc2ccccc2F)cc(CC2CCN(C(=O)COC(C)C)CC2)[nH+]1 ZINC000019758869 558275301 /nfs/dbraw/zinc/27/53/01/558275301.db2.gz OQFHRRGXQHDXIF-UHFFFAOYSA-N 1 1 414.525 3.742 40 0 HHABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766358 558278729 /nfs/dbraw/zinc/27/87/29/558278729.db2.gz WRYPSYLBOWIMRR-HXUWFJFHSA-N 1 1 419.504 3.629 40 0 HHABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccc(Br)cc2)cc1 ZINC000020049672 558328208 /nfs/dbraw/zinc/32/82/08/558328208.db2.gz GHPDOKXLTSSOME-UHFFFAOYSA-N 1 1 400.276 3.638 40 0 HHABMO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000012292867 558365990 /nfs/dbraw/zinc/36/59/90/558365990.db2.gz YSQCHNOXATWYRH-UHFFFAOYSA-N 1 1 404.869 3.835 40 0 HHABMO COC(=O)c1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc(C(=O)OC)c1 ZINC000020494313 558379728 /nfs/dbraw/zinc/37/97/28/558379728.db2.gz HQOIYUDJQQGOLC-INIZCTEOSA-N 1 1 424.497 3.744 40 0 HHABMO O=C(CSCc1cccc(Cl)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217395 558833841 /nfs/dbraw/zinc/83/38/41/558833841.db2.gz VORUWCGRQHZCBH-UHFFFAOYSA-N 1 1 404.963 3.722 40 0 HHABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@@H+](Cc3ccsc3)C1)O2 ZINC000019019609 558837610 /nfs/dbraw/zinc/83/76/10/558837610.db2.gz UDXSLKIBBDLZKJ-AVRDEDQJSA-N 1 1 400.544 3.778 40 0 HHABMO COCC[N@H+]1C[C@H](c2ccccc2)OC2(CCN(C(=O)Cc3ccccc3C)CC2)C1 ZINC000019237050 558856297 /nfs/dbraw/zinc/85/62/97/558856297.db2.gz ONNKHJKXPBHYLP-XMMPIXPASA-N 1 1 422.569 3.619 40 0 HHABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](CC2=CCCOC2)C1 ZINC000019449520 558887992 /nfs/dbraw/zinc/88/79/92/558887992.db2.gz YVORJTYSGSAIEK-SANMLTNESA-N 1 1 419.569 3.855 40 0 HHABMO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC000019498199 558896911 /nfs/dbraw/zinc/89/69/11/558896911.db2.gz OHARHGKLGGCDRI-KHOMTPLRSA-N 1 1 423.557 3.511 40 0 HHABMO CCN1CC[N@@H+](Cc2ccncc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527405 558908538 /nfs/dbraw/zinc/90/85/38/558908538.db2.gz UHOJVXILSZSOQW-DEOSSOPVSA-N 1 1 400.526 3.667 40 0 HHABMO CCN1CC[N@@H+](Cc2cccnc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527719 558908891 /nfs/dbraw/zinc/90/88/91/558908891.db2.gz OEXWWNNEEGQGQR-QHCPKHFHSA-N 1 1 400.526 3.667 40 0 HHABMO COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000019553972 558917036 /nfs/dbraw/zinc/91/70/36/558917036.db2.gz JAKOLGSQPJGUKP-BJKOFHAPSA-N 1 1 416.525 3.730 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019555126 558917978 /nfs/dbraw/zinc/91/79/78/558917978.db2.gz UKUDXBZGSLXTIS-IBGZPJMESA-N 1 1 418.545 3.855 40 0 HHABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](c2cc(=O)[nH]c(N3CCCCC3)n2)C1 ZINC000019577457 558933264 /nfs/dbraw/zinc/93/32/64/558933264.db2.gz VSAROLQMFRJJSR-LJQANCHMSA-N 1 1 412.582 3.534 40 0 HHABMO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019579586 558935163 /nfs/dbraw/zinc/93/51/63/558935163.db2.gz XXOGYSOIYFLBDU-DEOSSOPVSA-N 1 1 404.514 3.650 40 0 HHABMO COc1ccnc(C[N@H+]2CCC[C@H](c3nc(C)ncc3-c3ccncc3)C2)c1OC ZINC000072334719 558935770 /nfs/dbraw/zinc/93/57/70/558935770.db2.gz YWBXXEJLLFHISX-SFHVURJKSA-N 1 1 405.502 3.639 40 0 HHABMO COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000019581517 558937205 /nfs/dbraw/zinc/93/72/05/558937205.db2.gz SOYWDOWPVDQDAR-FCHUYYIVSA-N 1 1 424.932 3.849 40 0 HHABMO c1ccc(C[N@@H+]2CCCN(c3nccc(CN4CCc5ccccc5C4)n3)CC2)cc1 ZINC000072341240 558939474 /nfs/dbraw/zinc/93/94/74/558939474.db2.gz PTPVWMFFRLNDAK-UHFFFAOYSA-N 1 1 413.569 3.747 40 0 HHABMO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000072345936 558942414 /nfs/dbraw/zinc/94/24/14/558942414.db2.gz JMCKIXWWORJAHZ-MRXNPFEDSA-N 1 1 423.467 3.822 40 0 HHABMO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000072345936 558942416 /nfs/dbraw/zinc/94/24/16/558942416.db2.gz JMCKIXWWORJAHZ-MRXNPFEDSA-N 1 1 423.467 3.822 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@H](c3ccc(Nc4cccc(C)n4)cn3)C2)cn1 ZINC000072353455 558950363 /nfs/dbraw/zinc/95/03/63/558950363.db2.gz RSKNVTBZDLTRCB-FQEVSTJZSA-N 1 1 418.545 3.887 40 0 HHABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072354796 558952010 /nfs/dbraw/zinc/95/20/10/558952010.db2.gz KFCFGIOYTMIFIB-QGZVFWFLSA-N 1 1 408.893 3.550 40 0 HHABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072354796 558952011 /nfs/dbraw/zinc/95/20/11/558952011.db2.gz KFCFGIOYTMIFIB-QGZVFWFLSA-N 1 1 408.893 3.550 40 0 HHABMO CNC(=O)c1cc([C@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)nc2ccccc21 ZINC000072356247 558953061 /nfs/dbraw/zinc/95/30/61/558953061.db2.gz JCGDOYGOXWDYPH-HSZRJFAPSA-N 1 1 400.482 3.649 40 0 HHABMO CNC(=O)c1cc([C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)nc2ccccc21 ZINC000072356247 558953065 /nfs/dbraw/zinc/95/30/65/558953065.db2.gz JCGDOYGOXWDYPH-HSZRJFAPSA-N 1 1 400.482 3.649 40 0 HHABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 ZINC000019690029 558959363 /nfs/dbraw/zinc/95/93/63/558959363.db2.gz PEJWTWSITMMWMI-HXUWFJFHSA-N 1 1 422.508 3.607 40 0 HHABMO C[N@H+]1CCC[C@H](c2cccc(CC3(C(=O)NCCc4ccccn4)CCOCC3)c2)C1 ZINC000072372257 558959521 /nfs/dbraw/zinc/95/95/21/558959521.db2.gz XSZATOIGAKBQCZ-QHCPKHFHSA-N 1 1 421.585 3.589 40 0 HHABMO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019694103 558962246 /nfs/dbraw/zinc/96/22/46/558962246.db2.gz DVUFJNSSIARYGF-GOSISDBHSA-N 1 1 408.525 3.770 40 0 HHABMO CCN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 ZINC000019694416 558962895 /nfs/dbraw/zinc/96/28/95/558962895.db2.gz IAAZJMRPTPPVOS-FQEVSTJZSA-N 1 1 413.541 3.744 40 0 HHABMO CCN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 ZINC000019694416 558962897 /nfs/dbraw/zinc/96/28/97/558962897.db2.gz IAAZJMRPTPPVOS-FQEVSTJZSA-N 1 1 413.541 3.744 40 0 HHABMO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3cccc(Oc4ncccn4)c3)C[C@H]21 ZINC000072392540 558972038 /nfs/dbraw/zinc/97/20/38/558972038.db2.gz SQHZRLMAJMQMGE-LEEZEASISA-N 1 1 402.498 3.702 40 0 HHABMO Cc1cc(C)n(-c2cccc(C[N@@H+]3C[C@H]4[C@H](CC[C@]4(O)c4ncccc4C)C3)c2)n1 ZINC000072392528 558972149 /nfs/dbraw/zinc/97/21/49/558972149.db2.gz ZRLRPGXCMAGQAW-NMVJMZGASA-N 1 1 402.542 3.922 40 0 HHABMO COCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1c2cccnc2[nH]c1C(C)C ZINC000072395511 558974231 /nfs/dbraw/zinc/97/42/31/558974231.db2.gz HKYISDKKWGNAGI-NHCUHLMSSA-N 1 1 420.557 3.807 40 0 HHABMO CN(C)c1ncc(C(=O)N2CCC[C@@]3(CCC[N@H+]3Cc3cccc(F)c3)CC2)o1 ZINC000585100428 559023988 /nfs/dbraw/zinc/02/39/88/559023988.db2.gz WNCCVTUTONXRQJ-JOCHJYFZSA-N 1 1 400.498 3.541 40 0 HHABMO COc1cccc2cc(C(=O)N3CCC[C@]4(CC[N@@H+]4Cc4c(C)noc4C)C3)oc21 ZINC000585102249 559026019 /nfs/dbraw/zinc/02/60/19/559026019.db2.gz VGLIKRDKISQPEQ-QHCPKHFHSA-N 1 1 409.486 3.927 40 0 HHABMO COc1cccc2cc(C(=O)N3CCC[C@]4(CC[N@H+]4Cc4c(C)noc4C)C3)oc21 ZINC000585102249 559026020 /nfs/dbraw/zinc/02/60/20/559026020.db2.gz VGLIKRDKISQPEQ-QHCPKHFHSA-N 1 1 409.486 3.927 40 0 HHABMO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1ccc(C)s1)CCC2 ZINC000096056032 559093689 /nfs/dbraw/zinc/09/36/89/559093689.db2.gz XFZINQXEOORSRV-UGKGYDQZSA-N 1 1 402.560 3.927 40 0 HHABMO CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1CN(Cc1ccc(C)s1)CCC2 ZINC000096056032 559093691 /nfs/dbraw/zinc/09/36/91/559093691.db2.gz XFZINQXEOORSRV-UGKGYDQZSA-N 1 1 402.560 3.927 40 0 HHABMO CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1CN(Cc1ccc(C)s1)CCC2 ZINC000096056032 559093693 /nfs/dbraw/zinc/09/36/93/559093693.db2.gz XFZINQXEOORSRV-UGKGYDQZSA-N 1 1 402.560 3.927 40 0 HHABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@H+](Cc3cccnc3)C2)N1Cc1ccc(F)cc1 ZINC000096143151 559095746 /nfs/dbraw/zinc/09/57/46/559095746.db2.gz CLZVOTQXYKGNBL-QHCPKHFHSA-N 1 1 423.513 3.526 40 0 HHABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@@H+](Cc3cccnc3)C2)N1Cc1ccc(F)cc1 ZINC000096143151 559095747 /nfs/dbraw/zinc/09/57/47/559095747.db2.gz CLZVOTQXYKGNBL-QHCPKHFHSA-N 1 1 423.513 3.526 40 0 HHABMO Cc1nccn1CCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585272746 559118174 /nfs/dbraw/zinc/11/81/74/559118174.db2.gz JHSAFSWGHOOBJK-VWLOTQADSA-N 1 1 421.541 3.676 40 0 HHABMO COc1ccc(C[N@@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)c(OC)c1 ZINC000100724309 559138532 /nfs/dbraw/zinc/13/85/32/559138532.db2.gz SKARRUVBMDYWJT-UHFFFAOYSA-N 1 1 420.469 3.579 40 0 HHABMO COc1ccc(C[N@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)c(OC)c1 ZINC000100724309 559138533 /nfs/dbraw/zinc/13/85/33/559138533.db2.gz SKARRUVBMDYWJT-UHFFFAOYSA-N 1 1 420.469 3.579 40 0 HHABMO Cc1[nH+]ccn1CCC(=O)NC[C@@H]1CC[C@@H](c2nc(C)ncc2-c2ccccn2)CC1 ZINC000100728389 559138613 /nfs/dbraw/zinc/13/86/13/559138613.db2.gz HWRMUXIBHFPSDO-BGYRXZFFSA-N 1 1 418.545 3.832 40 0 HHABMO Cc1nc2ccccn2c1-c1nnc2sc(C[N@H+]3CC[C@H](c4ccccc4)C3)nn21 ZINC000227144100 559274244 /nfs/dbraw/zinc/27/42/44/559274244.db2.gz QXKJKGJVBQOFIS-KRWDZBQOSA-N 1 1 415.526 3.798 40 0 HHABMO O=C(C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1ccc(F)cc1 ZINC000001380603 560582821 /nfs/dbraw/zinc/58/28/21/560582821.db2.gz OHPSYVLGGCZHPS-UHFFFAOYSA-N 1 1 421.398 3.865 40 0 HHABMO Cc1cc(C)n(-c2nc(N3CCC[N@@H+](Cc4ccccc4)CC3)nc3c2CCCC3)n1 ZINC000004943227 560616026 /nfs/dbraw/zinc/61/60/26/560616026.db2.gz LTYNEBNQIBXCGO-UHFFFAOYSA-N 1 1 416.573 3.870 40 0 HHABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000010544196 560770327 /nfs/dbraw/zinc/77/03/27/560770327.db2.gz GXQKMVHBMNIMIU-CYBMUJFWSA-N 1 1 409.379 3.935 40 0 HHABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 ZINC000225458728 568639866 /nfs/dbraw/zinc/63/98/66/568639866.db2.gz JXRFANXXAIADEY-UHFFFAOYSA-N 1 1 405.527 3.794 40 0 HHABMO O=C1CCCN1c1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000225743707 568670545 /nfs/dbraw/zinc/67/05/45/568670545.db2.gz VQAMZEBWSZBUKC-UHFFFAOYSA-N 1 1 408.571 3.548 40 0 HHABMO NC(=O)Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000225910492 568685439 /nfs/dbraw/zinc/68/54/39/568685439.db2.gz XKAKDLOCRYVZKS-HNNXBMFYSA-N 1 1 420.340 3.872 40 0 HHABMO NC(=O)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000225910492 568685442 /nfs/dbraw/zinc/68/54/42/568685442.db2.gz XKAKDLOCRYVZKS-HNNXBMFYSA-N 1 1 420.340 3.872 40 0 HHABMO O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000260905702 568743823 /nfs/dbraw/zinc/74/38/23/568743823.db2.gz RSQTYRNRDQDHSS-ROUUACIJSA-N 1 1 400.906 3.508 40 0 HHABMO Cc1cnc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)cn1 ZINC000257235650 568786289 /nfs/dbraw/zinc/78/62/89/568786289.db2.gz GYUAUDPDEVMCBM-LYVDORBWSA-N 1 1 404.558 3.874 40 0 HHABMO Cc1cnn(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)c1 ZINC000257239464 568787328 /nfs/dbraw/zinc/78/73/28/568787328.db2.gz HPIUHWBZZWDICA-LYVDORBWSA-N 1 1 406.574 3.667 40 0 HHABMO Cc1nc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257267286 568794708 /nfs/dbraw/zinc/79/47/08/568794708.db2.gz MGPZKMXPCHIEOA-SFHVURJKSA-N 1 1 400.954 3.803 40 0 HHABMO Cc1nc2cc(NC(=O)C[N@@H+]3CCOC[C@H](Cc4cccc5occc54)C3)ccc2[nH]1 ZINC000257278023 568797920 /nfs/dbraw/zinc/79/79/20/568797920.db2.gz OALILLQHAJPVGZ-QGZVFWFLSA-N 1 1 418.497 3.747 40 0 HHABMO Cc1nc2cc(NC(=O)C[N@H+]3CCOC[C@H](Cc4cccc5occc54)C3)ccc2[nH]1 ZINC000257278023 568797923 /nfs/dbraw/zinc/79/79/23/568797923.db2.gz OALILLQHAJPVGZ-QGZVFWFLSA-N 1 1 418.497 3.747 40 0 HHABMO CN(C)C(=O)c1sc2nc([C@]3(C)CCC[N@@H+](Cc4cncs4)C3)ccc2c1N ZINC000257290677 568801600 /nfs/dbraw/zinc/80/16/00/568801600.db2.gz QDXAKIPAHXNMFM-HXUWFJFHSA-N 1 1 415.588 3.591 40 0 HHABMO O=C1O[C@]2(CC[N@@H+](Cc3cccc(Oc4ncccn4)c3)C2)CN1Cc1ccccc1 ZINC000257322370 568811155 /nfs/dbraw/zinc/81/11/55/568811155.db2.gz WFSGUIWWSPHDRT-DEOSSOPVSA-N 1 1 416.481 3.866 40 0 HHABMO c1c([C@H]2C[N@@H+](Cc3cccnc3)CCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306123181 568886368 /nfs/dbraw/zinc/88/63/68/568886368.db2.gz AGNRYBOSYYVWNB-HSZRJFAPSA-N 1 1 416.573 3.598 40 0 HHABMO c1c([C@H]2C[N@H+](Cc3cccnc3)CCN2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306123181 568886371 /nfs/dbraw/zinc/88/63/71/568886371.db2.gz AGNRYBOSYYVWNB-HSZRJFAPSA-N 1 1 416.573 3.598 40 0 HHABMO COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1 ZINC000306131957 568894242 /nfs/dbraw/zinc/89/42/42/568894242.db2.gz KTWFECDFTPNGDY-RBUKOAKNSA-N 1 1 403.482 3.592 40 0 HHABMO COc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1 ZINC000306131955 568894251 /nfs/dbraw/zinc/89/42/51/568894251.db2.gz KTWFECDFTPNGDY-MOPGFXCFSA-N 1 1 403.482 3.592 40 0 HHABMO O=S1(=O)N(Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1ccccn1)CC2 ZINC000306132654 568894940 /nfs/dbraw/zinc/89/49/40/568894940.db2.gz LONAFMYKZKVVPY-UHFFFAOYSA-N 1 1 419.550 3.923 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccc(C)c4)C[C@@H]32)cc1 ZINC000306135521 568897551 /nfs/dbraw/zinc/89/75/51/568897551.db2.gz OTWKLBWLBVLVFO-ZEQRLZLVSA-N 1 1 401.510 3.887 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccccc4F)C[C@@H]32)cc1 ZINC000306136466 568898116 /nfs/dbraw/zinc/89/81/16/568898116.db2.gz PUHCRIIAMDRBQS-GOTSBHOMSA-N 1 1 405.473 3.717 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccccc4F)C[C@@H]32)cc1 ZINC000306136466 568898118 /nfs/dbraw/zinc/89/81/18/568898118.db2.gz PUHCRIIAMDRBQS-GOTSBHOMSA-N 1 1 405.473 3.717 40 0 HHABMO Cc1ncsc1C[N@H+]1CCN(C)[C@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306137987 568899963 /nfs/dbraw/zinc/89/99/63/568899963.db2.gz RLTMJUZCJDNXHI-FQEVSTJZSA-N 1 1 404.543 3.650 40 0 HHABMO Cc1ncsc1C[N@@H+]1CCN(C)[C@H](c2cn3c(cccc3-c3ccncc3)n2)C1 ZINC000306137987 568899965 /nfs/dbraw/zinc/89/99/65/568899965.db2.gz RLTMJUZCJDNXHI-FQEVSTJZSA-N 1 1 404.543 3.650 40 0 HHABMO CN1CCN(C(=O)c2ccccc2F)C[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306138274 568900061 /nfs/dbraw/zinc/90/00/61/568900061.db2.gz RTYITWDZSNVIRU-JOCHJYFZSA-N 1 1 415.472 3.664 40 0 HHABMO Cc1ccccc1C(=O)N1CCN(C)[C@H](c2[nH+]cn3cc(-c4cccnc4)ccc23)C1 ZINC000306140277 568902038 /nfs/dbraw/zinc/90/20/38/568902038.db2.gz UOQVLHJBYRVTAW-QHCPKHFHSA-N 1 1 411.509 3.834 40 0 HHABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5cnn(C)c5)C4)nn3c2)c1 ZINC000306142229 568903742 /nfs/dbraw/zinc/90/37/42/568903742.db2.gz WUDCRDMDSMIILJ-HXUWFJFHSA-N 1 1 402.502 3.518 40 0 HHABMO O[C@H](COc1ccccc1Cl)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000026919791 569025699 /nfs/dbraw/zinc/02/56/99/569025699.db2.gz NEBKEJQRNSDBIR-KRWDZBQOSA-N 1 1 414.855 3.921 40 0 HHABMO C[C@@H]1C[N@@H+](C)CC[C@H]1CCc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 ZINC000253602493 569318445 /nfs/dbraw/zinc/31/84/45/569318445.db2.gz PASOMSLWCUNAGA-IEBWSBKVSA-N 1 1 418.541 3.625 40 0 HHABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)CC1 ZINC000006953550 569335778 /nfs/dbraw/zinc/33/57/78/569335778.db2.gz MSFRCZCBQNFGJH-UHFFFAOYSA-N 1 1 411.571 3.634 40 0 HHABMO CC(C)c1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4cnc(N(C)C)nc4)C3)n[nH]2)cc1 ZINC000019704498 569347689 /nfs/dbraw/zinc/34/76/89/569347689.db2.gz INXKTKJRFAHERJ-FQEVSTJZSA-N 1 1 420.561 3.958 40 0 HHABMO CC(C)c1ccc(OCc2cc([C@H]3CC[N@H+](Cc4cnc(N(C)C)nc4)C3)[nH]n2)cc1 ZINC000019704498 569347690 /nfs/dbraw/zinc/34/76/90/569347690.db2.gz INXKTKJRFAHERJ-FQEVSTJZSA-N 1 1 420.561 3.958 40 0 HHABMO CC(C)c1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4cnc(N(C)C)nc4)C3)[nH]n2)cc1 ZINC000019704498 569347691 /nfs/dbraw/zinc/34/76/91/569347691.db2.gz INXKTKJRFAHERJ-FQEVSTJZSA-N 1 1 420.561 3.958 40 0 HHABMO O=C(C[N@@H+]1CC[C@@H](c2cc(COc3ccccc3F)[nH]n2)C1)Nc1ccc(F)cc1 ZINC000019738943 569348640 /nfs/dbraw/zinc/34/86/40/569348640.db2.gz LZOXLVYCUZJGJC-OAHLLOKOSA-N 1 1 412.440 3.695 40 0 HHABMO O=C(C[N@H+]1CC[C@@H](c2cc(COc3ccccc3F)[nH]n2)C1)Nc1ccc(F)cc1 ZINC000019738943 569348641 /nfs/dbraw/zinc/34/86/41/569348641.db2.gz LZOXLVYCUZJGJC-OAHLLOKOSA-N 1 1 412.440 3.695 40 0 HHABMO CCOc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C1)O[C@@H](C)C2 ZINC000072392545 520790464 /nfs/dbraw/zinc/79/04/64/520790464.db2.gz RTGNYWGUDRVXII-DHCLVHEYSA-N 1 1 408.542 3.842 40 0 HHABMO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857029 522535016 /nfs/dbraw/zinc/53/50/16/522535016.db2.gz BGDSFKVPGAKYIA-NRFANRHFSA-N 1 1 411.527 3.524 40 0 HHABMO O=c1cc(N2C3=[N+](C[C@@]2(O)c2ccc(Cl)cc2)CCCCC3)[nH]n1-c1ccccc1 ZINC000044033621 526960136 /nfs/dbraw/zinc/96/01/36/526960136.db2.gz CXYRHXUNUCWMLQ-HSZRJFAPSA-N 1 1 423.924 3.536 40 0 HHABMO CNC(=O)c1cc([C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759623 558275842 /nfs/dbraw/zinc/27/58/42/558275842.db2.gz LXGKXPZZHKJYSD-XMMPIXPASA-N 1 1 412.493 3.716 40 0 HHABMO CNC(=O)c1cc([C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)nc2ccccc21 ZINC000019759623 558275845 /nfs/dbraw/zinc/27/58/45/558275845.db2.gz LXGKXPZZHKJYSD-XMMPIXPASA-N 1 1 412.493 3.716 40 0 HHABMO NC(=O)c1cc([C@H]2CC[N@@H+](Cc3cncn3Cc3ccccc3)C2)nc2ccccc21 ZINC000019761911 558276819 /nfs/dbraw/zinc/27/68/19/558276819.db2.gz CJIOAVPYCLDAOF-IBGZPJMESA-N 1 1 411.509 3.568 40 0 HHABMO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2ccc(F)cc2)C3)c(OCC)n1 ZINC000012181040 558342749 /nfs/dbraw/zinc/34/27/49/558342749.db2.gz JRQOWXLXYVJANP-NHJWOMDBSA-N 1 1 415.509 3.533 40 0 HHABMO CN(C(=O)C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)C1CCCCC1 ZINC000012184529 558344271 /nfs/dbraw/zinc/34/42/71/558344271.db2.gz LZAVIBXEBHWDNJ-KRWDZBQOSA-N 1 1 405.926 3.676 40 0 HHABMO CN(C(=O)C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1)C1CCCCC1 ZINC000012184529 558344275 /nfs/dbraw/zinc/34/42/75/558344275.db2.gz LZAVIBXEBHWDNJ-KRWDZBQOSA-N 1 1 405.926 3.676 40 0 HHABMO Cc1sc2nc(C3CC3)n(C3CC[NH+](CC(=O)NC(C)(C)C)CC3)c(=O)c2c1C ZINC000012184962 558344517 /nfs/dbraw/zinc/34/45/17/558344517.db2.gz PCSBZZMXKZBCJS-UHFFFAOYSA-N 1 1 416.591 3.504 40 0 HHABMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](C)O ZINC000012185785 558345201 /nfs/dbraw/zinc/34/52/01/558345201.db2.gz XHABJUQWILDQGN-QGZVFWFLSA-N 1 1 407.514 3.909 40 0 HHABMO COc1ccc(OC)c(C[N@@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)c1 ZINC000012667154 558445334 /nfs/dbraw/zinc/44/53/34/558445334.db2.gz IOMPPRKZWNUNMD-UHFFFAOYSA-N 1 1 420.469 3.579 40 0 HHABMO COc1ccc(OC)c(C[N@H+]2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)c1 ZINC000012667154 558445337 /nfs/dbraw/zinc/44/53/37/558445337.db2.gz IOMPPRKZWNUNMD-UHFFFAOYSA-N 1 1 420.469 3.579 40 0 HHABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2NC(=O)c2c(C)noc2C)cc1 ZINC000036743725 558802498 /nfs/dbraw/zinc/80/24/98/558802498.db2.gz ZOQDXNCYVGMOTR-YADHBBJMSA-N 1 1 405.498 3.698 40 0 HHABMO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000079188753 558824588 /nfs/dbraw/zinc/82/45/88/558824588.db2.gz VWBVBJVQKCKFER-NTKDMRAZSA-N 1 1 401.595 3.868 40 0 HHABMO CC(=O)Oc1ccc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C(C)(C)C)cc4n3)C2)cc1 ZINC000019023058 558838249 /nfs/dbraw/zinc/83/82/49/558838249.db2.gz UHGJHIVQJRAHCO-SFHVURJKSA-N 1 1 421.545 3.914 40 0 HHABMO Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019209720 558847959 /nfs/dbraw/zinc/84/79/59/558847959.db2.gz YWHNCRFMMXMLFY-NRFANRHFSA-N 1 1 408.546 3.553 40 0 HHABMO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000019235045 558854209 /nfs/dbraw/zinc/85/42/09/558854209.db2.gz QCCTZVFHOQVKCB-AREMUKBSSA-N 1 1 415.537 3.617 40 0 HHABMO Cc1cccc(C[N@@H+]2CCN(C)C(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)n1 ZINC000019236288 558855384 /nfs/dbraw/zinc/85/53/84/558855384.db2.gz RJHMSSCWLFLZSO-QHCPKHFHSA-N 1 1 400.526 3.585 40 0 HHABMO COc1ccccc1C[NH+]1CCN(c2c(F)cccc2[C@@H](O)c2ncccc2C)CC1 ZINC000019237685 558856750 /nfs/dbraw/zinc/85/67/50/558856750.db2.gz XKGNVZIXYCBZEB-RUZDIDTESA-N 1 1 421.516 3.942 40 0 HHABMO O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019370217 558878425 /nfs/dbraw/zinc/87/84/25/558878425.db2.gz KMBYROMYCPWRFP-JOCHJYFZSA-N 1 1 420.557 3.779 40 0 HHABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019370394 558878720 /nfs/dbraw/zinc/87/87/20/558878720.db2.gz IKGONPDUUWLZKG-DHLKQENFSA-N 1 1 400.526 3.789 40 0 HHABMO O=C(c1ccccn1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]21 ZINC000019400255 558882861 /nfs/dbraw/zinc/88/28/61/558882861.db2.gz AANAMJSOTCKBGL-CQOQZXRMSA-N 1 1 416.500 3.746 40 0 HHABMO O=C(c1ccncc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@H+](Cc3ccccn3)CC[C@@H]21 ZINC000019401854 558883731 /nfs/dbraw/zinc/88/37/31/558883731.db2.gz STXMSRYLSKHHNB-HJOGWXRNSA-N 1 1 416.500 3.746 40 0 HHABMO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](CC2=CCCOC2)C1 ZINC000019449522 558888039 /nfs/dbraw/zinc/88/80/39/558888039.db2.gz JCYYYGUPUMKCFS-AREMUKBSSA-N 1 1 419.569 3.855 40 0 HHABMO COc1cc(C[N@@H+]2CCc3sccc3[C@@H]2C)ccc1OCCN1CCOCC1 ZINC000019498359 558896944 /nfs/dbraw/zinc/89/69/44/558896944.db2.gz NZVHLCBNGYTHNR-KRWDZBQOSA-N 1 1 402.560 3.587 40 0 HHABMO COc1cc(C[N@H+]2CCc3sccc3[C@@H]2C)ccc1OCCN1CCOCC1 ZINC000019498359 558896947 /nfs/dbraw/zinc/89/69/47/558896947.db2.gz NZVHLCBNGYTHNR-KRWDZBQOSA-N 1 1 402.560 3.587 40 0 HHABMO CC[C@@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019499822 558897738 /nfs/dbraw/zinc/89/77/38/558897738.db2.gz ADSQQGFMIKJEGU-CVEARBPZSA-N 1 1 414.575 3.554 40 0 HHABMO CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019499845 558897836 /nfs/dbraw/zinc/89/78/36/558897836.db2.gz IGIJKYZXMNJXEO-OXJNMPFZSA-N 1 1 400.567 3.830 40 0 HHABMO CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCC(C)CC1)CC2 ZINC000019499870 558898105 /nfs/dbraw/zinc/89/81/05/558898105.db2.gz IISGUXOPNHOGQP-FCULAJGNSA-N 1 1 400.567 3.829 40 0 HHABMO CCCOc1cc2c(cc1C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1cccnc1)OCO2 ZINC000019503825 558900838 /nfs/dbraw/zinc/90/08/38/558900838.db2.gz OPBQUAMMHYIPRV-VXMMSVGHSA-N 1 1 410.514 3.719 40 0 HHABMO CCCOc1cc2c(cc1C[N@@H+]1C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C1)OCO2 ZINC000019503844 558900892 /nfs/dbraw/zinc/90/08/92/558900892.db2.gz SNZXAAOQVQHPTB-YIGJPRQDSA-N 1 1 410.514 3.637 40 0 HHABMO CCn1cc(C[N@H+]2CCC[C@@](Cc3ccccc3-c3cccnc3)(C(=O)NC)C2)cn1 ZINC000019524904 558906155 /nfs/dbraw/zinc/90/61/55/558906155.db2.gz NIIKLIXVLTWDNR-VWLOTQADSA-N 1 1 417.557 3.536 40 0 HHABMO CC[NH+](CC)Cc1cc(CN2CCC(O)(c3cccnc3F)CC2)ccc1OC ZINC000019526444 558907745 /nfs/dbraw/zinc/90/77/45/558907745.db2.gz BXVGPSSUSGVFEA-UHFFFAOYSA-N 1 1 401.526 3.555 40 0 HHABMO CCN1CC[N@@H+](Cc2cccc(C)n2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527399 558908583 /nfs/dbraw/zinc/90/85/83/558908583.db2.gz BWSUURNNFUUOSR-DEOSSOPVSA-N 1 1 414.553 3.975 40 0 HHABMO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019529185 558910817 /nfs/dbraw/zinc/91/08/17/558910817.db2.gz BDPUQGFWWMDDQZ-VWLOTQADSA-N 1 1 400.526 3.715 40 0 HHABMO COc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)CC[C@H]3CCCO3)CC2)cc1 ZINC000019553315 558916518 /nfs/dbraw/zinc/91/65/18/558916518.db2.gz JVWGYKZATULCHZ-NOZRDPDXSA-N 1 1 408.542 3.888 40 0 HHABMO CC[C@@H](C)C[N@H+]1CCC[C@H](C(=O)N2Cc3ccccc3OC3(CCOCC3)C2)C1 ZINC000072334315 558935304 /nfs/dbraw/zinc/93/53/04/558935304.db2.gz ASAWMYHRLAUDGZ-CTNGQTDRSA-N 1 1 400.563 3.715 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)c1 ZINC000072337783 558938088 /nfs/dbraw/zinc/93/80/88/558938088.db2.gz DZBKPGVPPVYZQS-NQIIRXRSSA-N 1 1 422.554 3.930 40 0 HHABMO C[NH+]1CCN(C(=O)C2(Cc3ccccc3-c3ccc(F)c(F)c3)CCOCC2)CC1 ZINC000019589700 558940593 /nfs/dbraw/zinc/94/05/93/558940593.db2.gz XFQDNULKDTZEDO-UHFFFAOYSA-N 1 1 414.496 3.745 40 0 HHABMO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347834 558945034 /nfs/dbraw/zinc/94/50/34/558945034.db2.gz AEZABRKWADYWMI-ZOBUZTSGSA-N 1 1 405.926 3.674 40 0 HHABMO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347834 558945035 /nfs/dbraw/zinc/94/50/35/558945035.db2.gz AEZABRKWADYWMI-ZOBUZTSGSA-N 1 1 405.926 3.674 40 0 HHABMO O=C(c1cc([C@@H]2C[N@@H+](CC3CCCCC3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000072352688 558949252 /nfs/dbraw/zinc/94/92/52/558949252.db2.gz YMKVSWPKJBKKAS-DEOSSOPVSA-N 1 1 423.557 3.661 40 0 HHABMO Cc1nccn1C[C@H]1CCC[N@@H+](Cc2c(-c3ccc(F)cc3)nc3ncccn23)C1 ZINC000019656967 558949739 /nfs/dbraw/zinc/94/97/39/558949739.db2.gz VTMIBDFSEDRLKO-SFHVURJKSA-N 1 1 404.493 3.953 40 0 HHABMO Cc1cc(C)nc(Nc2ccc([C@H]3CCC[N@H+](CC(=O)N4CCC(C)CC4)C3)nc2)n1 ZINC000072353277 558950215 /nfs/dbraw/zinc/95/02/15/558950215.db2.gz GMEGZTCTFXQYND-FQEVSTJZSA-N 1 1 422.577 3.670 40 0 HHABMO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCCN(c4ccccn4)CC3)c2)cs1 ZINC000019659282 558950659 /nfs/dbraw/zinc/95/06/59/558950659.db2.gz DYSLYFFTBMLKRT-UHFFFAOYSA-N 1 1 407.543 3.664 40 0 HHABMO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCCN(c4ccccn4)CC3)c2)cs1 ZINC000019659282 558950661 /nfs/dbraw/zinc/95/06/61/558950661.db2.gz DYSLYFFTBMLKRT-UHFFFAOYSA-N 1 1 407.543 3.664 40 0 HHABMO O=C(c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2ccncc2)C1)N1CCOCC1 ZINC000072356007 558952713 /nfs/dbraw/zinc/95/27/13/558952713.db2.gz BKSBNNTYUGSTKF-GOSISDBHSA-N 1 1 407.539 3.758 40 0 HHABMO O=C(C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCC1 ZINC000072358561 558954035 /nfs/dbraw/zinc/95/40/35/558954035.db2.gz KCUVEHBODNOMFQ-QGZVFWFLSA-N 1 1 418.463 3.964 40 0 HHABMO O=C(C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCC1 ZINC000072358562 558954145 /nfs/dbraw/zinc/95/41/45/558954145.db2.gz KCUVEHBODNOMFQ-KRWDZBQOSA-N 1 1 418.463 3.964 40 0 HHABMO O=C(C[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCCC1 ZINC000072359395 558955007 /nfs/dbraw/zinc/95/50/07/558955007.db2.gz DXCGORAUJXHYES-QGZVFWFLSA-N 1 1 418.463 3.964 40 0 HHABMO C[NH+](C)[C@H](C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1)c1ccc(Cl)cc1 ZINC000019664590 558955092 /nfs/dbraw/zinc/95/50/92/558955092.db2.gz AUIDUFLSSZVEBA-IBGZPJMESA-N 1 1 421.950 3.511 40 0 HHABMO Nc1ccc(-c2ccc([C@@H]3CCC[N@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)cn1 ZINC000019688617 558958032 /nfs/dbraw/zinc/95/80/32/558958032.db2.gz RUEKGYNEWYKGHC-GOSISDBHSA-N 1 1 405.477 3.683 40 0 HHABMO Nc1ccc(-c2ccc([C@@H]3CCC[N@@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)cn1 ZINC000019688617 558958035 /nfs/dbraw/zinc/95/80/35/558958035.db2.gz RUEKGYNEWYKGHC-GOSISDBHSA-N 1 1 405.477 3.683 40 0 HHABMO Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2C(=O)c2c(C)cc(C)n(C)c2=O)[nH+]1 ZINC000072372636 558960382 /nfs/dbraw/zinc/96/03/82/558960382.db2.gz VGQKEOQBLWFZEA-HXUWFJFHSA-N 1 1 417.513 3.821 40 0 HHABMO Cc1cc(Cc2ccc(Cl)cc2)cc([C@H]2CCC[N@@H+]2CC(=O)N2CCCC2=O)n1 ZINC000019691908 558961205 /nfs/dbraw/zinc/96/12/05/558961205.db2.gz FFSRQJCURFDVOC-OAQYLSRUSA-N 1 1 411.933 3.920 40 0 HHABMO Cc1cc(Cc2ccc(Cl)cc2)cc([C@H]2CCC[N@H+]2CC(=O)N2CCCC2=O)n1 ZINC000019691908 558961207 /nfs/dbraw/zinc/96/12/07/558961207.db2.gz FFSRQJCURFDVOC-OAQYLSRUSA-N 1 1 411.933 3.920 40 0 HHABMO Cc1cc(Cc2cccc(F)c2)cc([C@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000072374778 558962761 /nfs/dbraw/zinc/96/27/61/558962761.db2.gz HNFGVJWSKXISCV-NRFANRHFSA-N 1 1 405.521 3.965 40 0 HHABMO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3nc(C)cs3)n2)cn1 ZINC000072375773 558964682 /nfs/dbraw/zinc/96/46/82/558964682.db2.gz MDHPJBJBIMMGJT-SFHVURJKSA-N 1 1 410.547 3.906 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2cccc(Nc3nc(C)cs3)n2)cn1 ZINC000072375773 558964685 /nfs/dbraw/zinc/96/46/85/558964685.db2.gz MDHPJBJBIMMGJT-SFHVURJKSA-N 1 1 410.547 3.906 40 0 HHABMO CNc1cc(Nc2nccc([C@H]3CCC[N@@H+](CCCc4ccccc4)C3)n2)ncn1 ZINC000072377919 558967142 /nfs/dbraw/zinc/96/71/42/558967142.db2.gz NLUNTYHGDMLKFW-IBGZPJMESA-N 1 1 403.534 3.864 40 0 HHABMO Cn1c(CNc2[nH]nc3nc([C@@H]4CCC[NH2+]4)cc(C(F)(F)F)c32)nc2ccccc21 ZINC000072380744 558968994 /nfs/dbraw/zinc/96/89/94/558968994.db2.gz ALRODYKVCLUMLA-LBPRGKRZSA-N 1 1 415.423 3.900 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1 ZINC000072391331 558971379 /nfs/dbraw/zinc/97/13/79/558971379.db2.gz RKPXXPBKAUEWLC-HXUWFJFHSA-N 1 1 403.530 3.993 40 0 HHABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(Cl)cc4Cl)C[C@H]32)c(OC)n1 ZINC000072392598 558972312 /nfs/dbraw/zinc/97/23/12/558972312.db2.gz XWQULQPHHBOMCT-BXJCWQANSA-N 1 1 424.328 3.530 40 0 HHABMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccnn2C)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019711192 558973442 /nfs/dbraw/zinc/97/34/42/558973442.db2.gz DDFJJPLWPIDGJS-JOCHJYFZSA-N 1 1 407.493 3.530 40 0 HHABMO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccnn2C)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019711192 558973445 /nfs/dbraw/zinc/97/34/45/558973445.db2.gz DDFJJPLWPIDGJS-JOCHJYFZSA-N 1 1 407.493 3.530 40 0 HHABMO COc1ccc2c(c1)c([C@@H]1C[N@H+](Cc3ccc(OC)cc3OC)C[C@H]1N(C)C)cn2C ZINC000072395535 558974309 /nfs/dbraw/zinc/97/43/09/558974309.db2.gz ISRYHUPUEWKXDG-LADGPHEKSA-N 1 1 423.557 3.734 40 0 HHABMO COc1ccc2c(c1)c([C@@H]1C[N@@H+](Cc3ccc(OC)cc3OC)C[C@H]1N(C)C)cn2C ZINC000072395535 558974312 /nfs/dbraw/zinc/97/43/12/558974312.db2.gz ISRYHUPUEWKXDG-LADGPHEKSA-N 1 1 423.557 3.734 40 0 HHABMO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[N@H+](Cc4ccccn4)CC3)c2)n1 ZINC000019718355 558981590 /nfs/dbraw/zinc/98/15/90/558981590.db2.gz ZPPIXPRQZVBFJK-UHFFFAOYSA-N 1 1 423.948 3.886 40 0 HHABMO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)c2)n1 ZINC000019718355 558981592 /nfs/dbraw/zinc/98/15/92/558981592.db2.gz ZPPIXPRQZVBFJK-UHFFFAOYSA-N 1 1 423.948 3.886 40 0 HHABMO Cc1c(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3cncs3)CC2)nc2ccccn12 ZINC000585100716 559024280 /nfs/dbraw/zinc/02/42/80/559024280.db2.gz UQQVPSOYVWBWKV-JOCHJYFZSA-N 1 1 409.559 3.647 40 0 HHABMO CC(C)n1cc(C[N@H+]2CCC[C@@]3(C[C@H](NC(=O)OCc4ccccc4)CO3)C2)cn1 ZINC000585102405 559026150 /nfs/dbraw/zinc/02/61/50/559026150.db2.gz HFWWMCABYRSAPF-JTHBVZDNSA-N 1 1 412.534 3.514 40 0 HHABMO Cc1ccc(CC(=O)N2CCC[C@]3(C2)C[N@@H+](C)Cc2c(-c4ccccc4)ncn23)cc1 ZINC000585107264 559027753 /nfs/dbraw/zinc/02/77/53/559027753.db2.gz RZPKXUVAJBLQCA-AREMUKBSSA-N 1 1 414.553 3.864 40 0 HHABMO C[N@@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1 ZINC000585106615 559028936 /nfs/dbraw/zinc/02/89/36/559028936.db2.gz CUSRNJQWLODOGM-DEOSSOPVSA-N 1 1 404.489 3.766 40 0 HHABMO C[N@H+]1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1 ZINC000585106615 559028937 /nfs/dbraw/zinc/02/89/37/559028937.db2.gz CUSRNJQWLODOGM-DEOSSOPVSA-N 1 1 404.489 3.766 40 0 HHABMO CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096056033 559093707 /nfs/dbraw/zinc/09/37/07/559093707.db2.gz GENNUOJIUBQIEA-REWPJTCUSA-N 1 1 400.494 3.696 40 0 HHABMO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CCC2 ZINC000096056033 559093708 /nfs/dbraw/zinc/09/37/08/559093708.db2.gz GENNUOJIUBQIEA-REWPJTCUSA-N 1 1 400.494 3.696 40 0 HHABMO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)CCC2 ZINC000096056033 559093709 /nfs/dbraw/zinc/09/37/09/559093709.db2.gz GENNUOJIUBQIEA-REWPJTCUSA-N 1 1 400.494 3.696 40 0 HHABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@H+](Cc3ccncc3)C2)N1Cc1ccc(F)cc1 ZINC000096143154 559095706 /nfs/dbraw/zinc/09/57/06/559095706.db2.gz HASRKQHGNPZAGV-QHCPKHFHSA-N 1 1 423.513 3.526 40 0 HHABMO O=S1(=O)c2ccccc2[C@@]2(CC[N@@H+](Cc3ccncc3)C2)N1Cc1ccc(F)cc1 ZINC000096143154 559095708 /nfs/dbraw/zinc/09/57/08/559095708.db2.gz HASRKQHGNPZAGV-QHCPKHFHSA-N 1 1 423.513 3.526 40 0 HHABMO O=S1(=O)c2ccccc2O[C@H]2CC[N@H+](Cc3ccccc3)CC[C@@H]2N1CC1CC1 ZINC000096145898 559097649 /nfs/dbraw/zinc/09/76/49/559097649.db2.gz YOHBWYOTXJSVMY-SFTDATJTSA-N 1 1 412.555 3.513 40 0 HHABMO CC(=O)N1CCCC[C@H]2[N@@H+](CC3(O)CCN(c4cccc(C)c4)CC3)CCC[C@@]21C ZINC000585263005 559111714 /nfs/dbraw/zinc/11/17/14/559111714.db2.gz UMXNVTIUWSQVDF-RPWUZVMVSA-N 1 1 413.606 3.582 40 0 HHABMO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000585270388 559116348 /nfs/dbraw/zinc/11/63/48/559116348.db2.gz VSSARWZZIVUIIC-JOCHJYFZSA-N 1 1 422.525 3.931 40 0 HHABMO Cc1cnn(CCOc2ccc(C[N@H+]3CCC[C@@](O)(COc4ccccc4)C3)cc2)c1 ZINC000585271710 559117529 /nfs/dbraw/zinc/11/75/29/559117529.db2.gz BQSKDVZZPPOMMS-VWLOTQADSA-N 1 1 421.541 3.676 40 0 HHABMO O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000585279034 559119308 /nfs/dbraw/zinc/11/93/08/559119308.db2.gz BYSQSCDQCIAXDQ-RUZDIDTESA-N 1 1 410.558 3.567 40 0 HHABMO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)CC1 ZINC000113947586 559182682 /nfs/dbraw/zinc/18/26/82/559182682.db2.gz JECYOFYYZVKIIY-UHFFFAOYSA-N 1 1 406.574 3.923 40 0 HHABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)cc1 ZINC000257321377 559282987 /nfs/dbraw/zinc/28/29/87/559282987.db2.gz WBKLULDZHVPXQF-LJQANCHMSA-N 1 1 421.497 3.521 40 0 HHABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)cc1 ZINC000257321377 559282989 /nfs/dbraw/zinc/28/29/89/559282989.db2.gz WBKLULDZHVPXQF-LJQANCHMSA-N 1 1 421.497 3.521 40 0 HHABMO CO[C@@]1(COc2ccc(C)cc2)CCC[N@@H+](CC(=O)NCCc2ccccc2)CC1 ZINC000257249392 559284542 /nfs/dbraw/zinc/28/45/42/559284542.db2.gz JICHUYNSUNDKQO-VWLOTQADSA-N 1 1 410.558 3.604 40 0 HHABMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)C[N@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000002422450 560560009 /nfs/dbraw/zinc/56/00/09/560560009.db2.gz ANGKSUGPKQOCDU-QKFKETGDSA-N 1 1 413.518 3.802 40 0 HHABMO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000100789827 560726545 /nfs/dbraw/zinc/72/65/45/560726545.db2.gz HBIHILGQENLYSC-ZGXWSNOMSA-N 1 1 407.599 3.698 40 0 HHABMO COc1ccc(OC)c(C[N@@H+](Cc2cc3c(c(OC)c2)OCO3)C[C@H]2CCCO2)c1 ZINC000013994897 560831762 /nfs/dbraw/zinc/83/17/62/560831762.db2.gz UFLDCWNPVZZNEK-LJQANCHMSA-N 1 1 415.486 3.622 40 0 HHABMO COc1ccc(OC)c(C[N@H+](Cc2cc3c(c(OC)c2)OCO3)C[C@H]2CCCO2)c1 ZINC000013994897 560831763 /nfs/dbraw/zinc/83/17/63/560831763.db2.gz UFLDCWNPVZZNEK-LJQANCHMSA-N 1 1 415.486 3.622 40 0 HHABMO Fc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019372143 560872829 /nfs/dbraw/zinc/87/28/29/560872829.db2.gz VSZPDICGZMCULH-QHCPKHFHSA-N 1 1 420.536 3.835 40 0 HHABMO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020139960 560881185 /nfs/dbraw/zinc/88/11/85/560881185.db2.gz DFNWFTSYLZBJBO-JOCHJYFZSA-N 1 1 404.562 3.725 40 0 HHABMO CC(C)C[C@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020141138 560881556 /nfs/dbraw/zinc/88/15/56/560881556.db2.gz GOXFEUCCFPFBKC-HSZRJFAPSA-N 1 1 422.552 3.766 40 0 HHABMO COc1cccc(-c2noc(CNC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)n2)c1 ZINC000219240258 568488396 /nfs/dbraw/zinc/48/83/96/568488396.db2.gz CMJHFBVOTNDGPK-QGZVFWFLSA-N 1 1 420.513 3.907 40 0 HHABMO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000219421683 568491694 /nfs/dbraw/zinc/49/16/94/568491694.db2.gz DGJHSFWRKDZZJT-UHFFFAOYSA-N 1 1 417.347 3.986 40 0 HHABMO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224567274 568585501 /nfs/dbraw/zinc/58/55/01/568585501.db2.gz XYLAETVFXJAJJQ-IBGZPJMESA-N 1 1 404.510 3.756 40 0 HHABMO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(Cc2ccccc2F)CC1 ZINC000224790722 568596859 /nfs/dbraw/zinc/59/68/59/568596859.db2.gz LBMAFXFQLZUCHL-UHFFFAOYSA-N 1 1 409.549 3.950 40 0 HHABMO O=C(NC[C@H]1COc2ccccc2O1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225284093 568627736 /nfs/dbraw/zinc/62/77/36/568627736.db2.gz DOCKCFJWKHGUKH-SFHVURJKSA-N 1 1 418.896 3.647 40 0 HHABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000225299879 568628703 /nfs/dbraw/zinc/62/87/03/568628703.db2.gz WYRUYJDTISNYCR-UHFFFAOYSA-N 1 1 407.861 3.873 40 0 HHABMO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(OCC)c(OCC)c3)[nH]2)cc1OC ZINC000095534344 568635404 /nfs/dbraw/zinc/63/54/04/568635404.db2.gz JOJHKVADOTYWJW-HXUWFJFHSA-N 1 1 412.490 3.725 40 0 HHABMO O=C(NCCSc1n[nH]c(-c2ccccc2)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225901351 568684434 /nfs/dbraw/zinc/68/44/34/568684434.db2.gz FVJPFWLLWVUKIF-FQEVSTJZSA-N 1 1 421.570 3.592 40 0 HHABMO O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225901351 568684436 /nfs/dbraw/zinc/68/44/36/568684436.db2.gz FVJPFWLLWVUKIF-FQEVSTJZSA-N 1 1 421.570 3.592 40 0 HHABMO O=C(NCCSc1nc(-c2ccccc2)n[nH]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225901351 568684438 /nfs/dbraw/zinc/68/44/38/568684438.db2.gz FVJPFWLLWVUKIF-FQEVSTJZSA-N 1 1 421.570 3.592 40 0 HHABMO Cc1cc(C)nc(Nc2cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)n1 ZINC000225915640 568685699 /nfs/dbraw/zinc/68/56/99/568685699.db2.gz RHHSOCMELCHAML-UHFFFAOYSA-N 1 1 401.514 3.795 40 0 HHABMO Nc1nc2c(c(N)n1)C[C@@]1(CCC[N@@H+](CC(c3ccccc3)c3ccccc3)CC1)O2 ZINC000257208580 568778743 /nfs/dbraw/zinc/77/87/43/568778743.db2.gz BMTCMCHDWULQHG-VWLOTQADSA-N 1 1 415.541 3.633 40 0 HHABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1cccc(-c2cccc(OC)c2)c1 ZINC000257213315 568780007 /nfs/dbraw/zinc/78/00/07/568780007.db2.gz CHAXSQIFYQVULZ-RUZDIDTESA-N 1 1 401.510 3.995 40 0 HHABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1cccc(-c2cccc(OC)c2)c1 ZINC000257213315 568780010 /nfs/dbraw/zinc/78/00/10/568780010.db2.gz CHAXSQIFYQVULZ-RUZDIDTESA-N 1 1 401.510 3.995 40 0 HHABMO CC[N@H+]1CC[C@@H](CNC(=O)C2(Cc3ccc(-c4ccncc4)cc3)CCOCC2)C1 ZINC000257233603 568785669 /nfs/dbraw/zinc/78/56/69/568785669.db2.gz GPXDCHWRIBFLMH-NRFANRHFSA-N 1 1 407.558 3.546 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@H](c3cc(Nc4nccs4)cc(C)n3)C2)cn1 ZINC000257251653 568790728 /nfs/dbraw/zinc/79/07/28/568790728.db2.gz JRPHEKOPDFRTIP-SFHVURJKSA-N 1 1 424.574 3.949 40 0 HHABMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1F ZINC000257280426 568798465 /nfs/dbraw/zinc/79/84/65/568798465.db2.gz OKUOPJVNSATUFE-LADGPHEKSA-N 1 1 412.505 3.913 40 0 HHABMO Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1F ZINC000257280426 568798467 /nfs/dbraw/zinc/79/84/67/568798467.db2.gz OKUOPJVNSATUFE-LADGPHEKSA-N 1 1 412.505 3.913 40 0 HHABMO CCCN1CC[N@H+](Cc2[nH]cnc2C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257289300 568801213 /nfs/dbraw/zinc/80/12/13/568801213.db2.gz PXZXODWGBDIVNX-JOCHJYFZSA-N 1 1 417.557 3.693 40 0 HHABMO CCCN1CC[N@@H+](Cc2[nH]cnc2C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257289300 568801215 /nfs/dbraw/zinc/80/12/15/568801215.db2.gz PXZXODWGBDIVNX-JOCHJYFZSA-N 1 1 417.557 3.693 40 0 HHABMO Cc1cc(Nc2cccc([C@H]3C[N@H+](Cc4cn(C)c5ccccc45)CCO3)n2)nn1C ZINC000257308538 568806866 /nfs/dbraw/zinc/80/68/66/568806866.db2.gz TXCRYQPWTRKLHM-JOCHJYFZSA-N 1 1 416.529 3.932 40 0 HHABMO Cc1cc(Nc2cccc([C@H]3C[N@@H+](Cc4cn(C)c5ccccc45)CCO3)n2)nn1C ZINC000257308538 568806869 /nfs/dbraw/zinc/80/68/69/568806869.db2.gz TXCRYQPWTRKLHM-JOCHJYFZSA-N 1 1 416.529 3.932 40 0 HHABMO CN1CCN(C(=O)c2ccc(F)cc2)C[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306127288 568890012 /nfs/dbraw/zinc/89/00/12/568890012.db2.gz FUFHEWRJWDFOEK-JOCHJYFZSA-N 1 1 415.472 3.664 40 0 HHABMO COc1ccccc1C[N@@H+]1CCO[C@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306130698 568893161 /nfs/dbraw/zinc/89/31/61/568893161.db2.gz JNDDXIPSAOGKLB-FYYLOGMGSA-N 1 1 414.571 3.629 40 0 HHABMO COc1ccccc1C[N@H+]1CCO[C@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306130698 568893163 /nfs/dbraw/zinc/89/31/63/568893163.db2.gz JNDDXIPSAOGKLB-FYYLOGMGSA-N 1 1 414.571 3.629 40 0 HHABMO COc1ccccc1C[N@@H+]1CCO[C@@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306130699 568893234 /nfs/dbraw/zinc/89/32/34/568893234.db2.gz JNDDXIPSAOGKLB-GGAORHGYSA-N 1 1 414.571 3.629 40 0 HHABMO COc1ccccc1C[N@H+]1CCO[C@@]2(CCCC[C@H]2NC(=O)Cc2cccs2)C1 ZINC000306130699 568893236 /nfs/dbraw/zinc/89/32/36/568893236.db2.gz JNDDXIPSAOGKLB-GGAORHGYSA-N 1 1 414.571 3.629 40 0 HHABMO Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1ccccc1F)CCO2 ZINC000306131428 568893749 /nfs/dbraw/zinc/89/37/49/568893749.db2.gz KECAKDXFGWVTMC-GHTZIAJQSA-N 1 1 403.523 3.534 40 0 HHABMO Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1ccccc1F)CCO2 ZINC000306131428 568893750 /nfs/dbraw/zinc/89/37/50/568893750.db2.gz KECAKDXFGWVTMC-GHTZIAJQSA-N 1 1 403.523 3.534 40 0 HHABMO COc1ccc(-c2cccc3nc([C@H]4C[N@H+](Cc5ccccn5)CCN4C)cn32)cc1 ZINC000306131979 568894177 /nfs/dbraw/zinc/89/41/77/568894177.db2.gz KUNHZKNNYPDQQH-XMMPIXPASA-N 1 1 413.525 3.894 40 0 HHABMO COc1ccc(-c2cccc3nc([C@H]4C[N@@H+](Cc5ccccn5)CCN4C)cn32)cc1 ZINC000306131979 568894180 /nfs/dbraw/zinc/89/41/80/568894180.db2.gz KUNHZKNNYPDQQH-XMMPIXPASA-N 1 1 413.525 3.894 40 0 HHABMO Cc1ccsc1C(=O)N1CCN(C)[C@@H](c2[nH+]cn3cc(-c4cccnc4)ccc23)C1 ZINC000306133486 568895576 /nfs/dbraw/zinc/89/55/76/568895576.db2.gz MMZOKMQZNUVCQO-HXUWFJFHSA-N 1 1 417.538 3.895 40 0 HHABMO C[N@H+]1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000306134477 568896552 /nfs/dbraw/zinc/89/65/52/568896552.db2.gz NOYODNDISOLXIU-LYGPYEHVSA-N 1 1 423.601 3.737 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@H]32)cc1 ZINC000306134828 568896727 /nfs/dbraw/zinc/89/67/27/568896727.db2.gz NZFNHQRYYVTVMS-DHIUTWEWSA-N 1 1 405.473 3.717 40 0 HHABMO COc1ccc(C[N@H+]2CC[C@@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)cc1 ZINC000306135299 568897338 /nfs/dbraw/zinc/89/73/38/568897338.db2.gz OMUQLEYOJJWADV-QHCPKHFHSA-N 1 1 405.523 3.956 40 0 HHABMO CCc1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306137666 568899554 /nfs/dbraw/zinc/89/95/54/568899554.db2.gz RCTCCDNDTHMQGQ-FGZHOGPDSA-N 1 1 406.555 3.897 40 0 HHABMO O=C(c1ccsc1)N1C[C@@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)c2ncccc21 ZINC000306141765 568903277 /nfs/dbraw/zinc/90/32/77/568903277.db2.gz WFRFINUVBPHIHR-QHCPKHFHSA-N 1 1 419.506 3.676 40 0 HHABMO COc1cccc(C[N@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306143900 568905140 /nfs/dbraw/zinc/90/51/40/568905140.db2.gz YQCVWYAJPQQNCV-RDGATRHJSA-N 1 1 422.573 3.701 40 0 HHABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218635252 568942421 /nfs/dbraw/zinc/94/24/21/568942421.db2.gz FKLTWXJGNBZJDA-OKZBNKHCSA-N 1 1 400.327 3.667 40 0 HHABMO Cc1nc(N[C@@H](CO)C(C)C)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000328965229 568970041 /nfs/dbraw/zinc/97/00/41/568970041.db2.gz CAYDSQGJSQRISQ-KRWDZBQOSA-N 1 1 405.340 3.539 40 0 HHABMO CC(C)c1nc(N[C@H](C)CO)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329057225 568974956 /nfs/dbraw/zinc/97/49/56/568974956.db2.gz VWDOHPDNTWJBNM-CYBMUJFWSA-N 1 1 405.340 3.718 40 0 HHABMO COc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000027531074 569047402 /nfs/dbraw/zinc/04/74/02/569047402.db2.gz WZAIYJULKDBJGU-OAQYLSRUSA-N 1 1 412.574 3.550 40 0 HHABMO CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](c2ccccc2)[N@H+]2CCCC[C@H]2C)n1C ZINC000248018162 569316008 /nfs/dbraw/zinc/31/60/08/569316008.db2.gz HBZOVRZEMGDEEB-NZSAHSFTSA-N 1 1 413.591 3.816 40 0 HHABMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000012184536 569344623 /nfs/dbraw/zinc/34/46/23/569344623.db2.gz AEZABRKWADYWMI-BFYDXBDKSA-N 1 1 405.926 3.674 40 0 HHABMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000012184536 569344624 /nfs/dbraw/zinc/34/46/24/569344624.db2.gz AEZABRKWADYWMI-BFYDXBDKSA-N 1 1 405.926 3.674 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000019565051 569345610 /nfs/dbraw/zinc/34/56/10/569345610.db2.gz CCFVDMDIPDHLOZ-GBXCKJPGSA-N 1 1 416.525 3.869 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)cc1OC ZINC000019560959 569345679 /nfs/dbraw/zinc/34/56/79/569345679.db2.gz XNXDUYBJVOOIQD-FXAWDEMLSA-N 1 1 415.559 3.640 40 0 HHABMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@H](c3c4cccnc4sc3C(N)=O)C1)CO2 ZINC000019702233 569347425 /nfs/dbraw/zinc/34/74/25/569347425.db2.gz BNUWAXJKFRHULB-HNNXBMFYSA-N 1 1 421.522 3.669 40 0 HHABMO CNc1ncccc1C[N@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccc(OC)cc1 ZINC000019713830 569348484 /nfs/dbraw/zinc/34/84/84/569348484.db2.gz UVFZRBXOEJEVCI-YADHBBJMSA-N 1 1 408.546 3.678 40 0 HHABMO COc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000033717976 569351171 /nfs/dbraw/zinc/35/11/71/569351171.db2.gz AGHDMZPNTPYZNU-UHFFFAOYSA-N 1 1 405.361 3.951 40 0 HHABMO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@H+](CCc3ccccc3)CCO2)cc1 ZINC000019694899 569428582 /nfs/dbraw/zinc/42/85/82/569428582.db2.gz PNLXRSZBMURYCM-HSZRJFAPSA-N 1 1 418.541 3.834 40 0 HHABMO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1 ZINC000019694899 569428583 /nfs/dbraw/zinc/42/85/83/569428583.db2.gz PNLXRSZBMURYCM-HSZRJFAPSA-N 1 1 418.541 3.834 40 0 HHABMO O=c1ccc(-c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(CO)o2)C1 ZINC000020503389 575369743 /nfs/dbraw/zinc/36/97/43/575369743.db2.gz AMMWOZJLFSWODK-DOTOQJQBSA-N 1 1 410.901 3.873 40 0 biogenic,in-vitro HHABMO CC1=C[C@@H](CNC(=O)CC(C)(C)C)[C@H](C(C)C)C[C@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000030880841 291248740 /nfs/dbraw/zinc/24/87/40/291248740.db2.gz VPTDWYWLLZTIDS-ACRUOGEOSA-N 1 1 405.627 3.558 40 0 biogenic,in-vitro HHABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4C(C)C)n3)cn2)cc1 ZINC000049155267 291254679 /nfs/dbraw/zinc/25/46/79/291254679.db2.gz UFNDYFWYKSIONN-SFHVURJKSA-N 1 1 407.474 3.938 40 0 biogenic,in-vitro HHABMO CC(C)c1ccc(OCCOC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000040373339 519838191 /nfs/dbraw/zinc/83/81/91/519838191.db2.gz YHTADDZZCXQKEH-OAQYLSRUSA-N 1 1 416.537 3.528 40 0 HHABMO Cc1cc(C)n(CCC(=O)N2C[C@@H]3CCCC[N@@H+](CCc4ccc(F)cc4)[C@@H]3C2)n1 ZINC000072330672 524517265 /nfs/dbraw/zinc/51/72/65/524517265.db2.gz HJYMBQCLOMHLGU-JTHBVZDNSA-N 1 1 412.553 3.585 40 0 HHABMO COc1ccc(S[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1OC ZINC000044848164 525111025 /nfs/dbraw/zinc/11/10/25/525111025.db2.gz MDPUAGSQXFFELP-OAHLLOKOSA-N 1 1 411.527 3.995 40 0 HHABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(I)cc1 ZINC000044880591 527386667 /nfs/dbraw/zinc/38/66/67/527386667.db2.gz WZPLMEIMLQQEIK-UHFFFAOYSA-N 1 1 417.250 3.715 40 0 HHABMO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)cc2c1 ZINC000000925633 557119795 /nfs/dbraw/zinc/11/97/95/557119795.db2.gz UDHJTLFOHKTOGI-UHFFFAOYSA-N 1 1 408.550 3.913 40 0 HHABMO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C(C)(C)C)C3CCCCC3)cc2c1 ZINC000000925633 557119796 /nfs/dbraw/zinc/11/97/96/557119796.db2.gz UDHJTLFOHKTOGI-UHFFFAOYSA-N 1 1 408.550 3.913 40 0 HHABMO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035313875 557689636 /nfs/dbraw/zinc/68/96/36/557689636.db2.gz HVUBLPNKMFODDG-QFIPXVFZSA-N 1 1 408.525 3.520 40 0 HHABMO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035313876 557689655 /nfs/dbraw/zinc/68/96/55/557689655.db2.gz HVUBLPNKMFODDG-JOCHJYFZSA-N 1 1 408.525 3.520 40 0 HHABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766361 558278717 /nfs/dbraw/zinc/27/87/17/558278717.db2.gz OIKNLGPTBFFIFD-HXUWFJFHSA-N 1 1 419.504 3.629 40 0 HHABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C(C)(C)C)cc4n3)C2)cc1 ZINC000012185782 558345215 /nfs/dbraw/zinc/34/52/15/558345215.db2.gz QGEBPGWUHATCBW-SFHVURJKSA-N 1 1 420.561 3.947 40 0 HHABMO CCC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2OC)C1 ZINC000012365820 558388272 /nfs/dbraw/zinc/38/82/72/558388272.db2.gz ITGGQNYEZHBJLS-KXBFYZLASA-N 1 1 403.548 3.640 40 0 HHABMO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000021936309 558456230 /nfs/dbraw/zinc/45/62/30/558456230.db2.gz OUYLUYYXXKOTOQ-INIZCTEOSA-N 1 1 404.963 3.969 40 0 HHABMO COCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000030757058 558737402 /nfs/dbraw/zinc/73/74/02/558737402.db2.gz JPTRRVKTJKPJTK-SFHVURJKSA-N 1 1 409.530 3.547 40 0 HHABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)Cc2ccc(Br)cc2)cc1 ZINC000030758643 558737794 /nfs/dbraw/zinc/73/77/94/558737794.db2.gz VDEVXNKYXUAFPJ-UHFFFAOYSA-N 1 1 420.332 3.563 40 0 HHABMO O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014801 558836816 /nfs/dbraw/zinc/83/68/16/558836816.db2.gz WAHJMYBYWFGFNG-NRFANRHFSA-N 1 1 412.578 3.562 40 0 HHABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@@H+](Cc3ccsc3)C1)O2 ZINC000019019604 558837533 /nfs/dbraw/zinc/83/75/33/558837533.db2.gz UDXSLKIBBDLZKJ-GCJKJVERSA-N 1 1 400.544 3.778 40 0 HHABMO CC(=O)Oc1ccc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C(C)(C)C)cc4n3)C2)cc1 ZINC000019023055 558838167 /nfs/dbraw/zinc/83/81/67/558838167.db2.gz UHGJHIVQJRAHCO-GOSISDBHSA-N 1 1 421.545 3.914 40 0 HHABMO CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2 ZINC000019081349 558839577 /nfs/dbraw/zinc/83/95/77/558839577.db2.gz ZWRJTHSCOANGQM-LJQANCHMSA-N 1 1 400.567 3.830 40 0 HHABMO Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCC[N@@H+](Cc4ccccn4)C3)on2)cc1 ZINC000019212267 558848783 /nfs/dbraw/zinc/84/87/83/558848783.db2.gz GKPRDTWFISOCDG-RUZDIDTESA-N 1 1 418.541 3.958 40 0 HHABMO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000019219902 558851518 /nfs/dbraw/zinc/85/15/18/558851518.db2.gz RLFWJKHJJHGKKP-INIZCTEOSA-N 1 1 404.436 3.727 40 0 HHABMO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC000019219902 558851521 /nfs/dbraw/zinc/85/15/21/558851521.db2.gz RLFWJKHJJHGKKP-INIZCTEOSA-N 1 1 404.436 3.727 40 0 HHABMO COc1c(C)cccc1C[N@H+]1CC[C@@](Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1 ZINC000019235895 558854961 /nfs/dbraw/zinc/85/49/61/558854961.db2.gz IKHZIMJUJLKXRG-SANMLTNESA-N 1 1 415.537 3.986 40 0 HHABMO Cc1cccc(C[N@@H+]2CC[C@](Cc3cccc(-c4cccnc4)c3)(C(=O)N(C)C)C2)n1 ZINC000019236142 558855175 /nfs/dbraw/zinc/85/51/75/558855175.db2.gz LYXVYRMPVXOFOY-AREMUKBSSA-N 1 1 414.553 3.975 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019236138 558855184 /nfs/dbraw/zinc/85/51/84/558855184.db2.gz COEYZMAXCGKPEV-RUZDIDTESA-N 1 1 400.526 3.633 40 0 HHABMO COc1ccccc1-c1ccccc1C[C@@H]1C[N@@H+](Cc2cccc(C)n2)CCNC1=O ZINC000019236293 558855421 /nfs/dbraw/zinc/85/54/21/558855421.db2.gz HXGMCMSJBJMYFJ-OAQYLSRUSA-N 1 1 415.537 3.856 40 0 HHABMO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000019291389 558863943 /nfs/dbraw/zinc/86/39/43/558863943.db2.gz UQNQUTSEFQGTTG-KEVCNVLYSA-N 1 1 418.541 3.514 40 0 HHABMO O=C(c1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCC1)C2 ZINC000019293555 558865248 /nfs/dbraw/zinc/86/52/48/558865248.db2.gz NXZQZSWDRNDMHR-NRFANRHFSA-N 1 1 424.520 3.989 40 0 HHABMO Fc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019293824 558865439 /nfs/dbraw/zinc/86/54/39/558865439.db2.gz LATCKGNTWNOJBC-SFHVURJKSA-N 1 1 406.509 3.986 40 0 HHABMO CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2OC)C1 ZINC000019499246 558897510 /nfs/dbraw/zinc/89/75/10/558897510.db2.gz KHKJKRFPQFOTBI-FOIQADDNSA-N 1 1 403.548 3.640 40 0 HHABMO [NH3+][C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)OCc1ccccc1 ZINC000071788279 558911986 /nfs/dbraw/zinc/91/19/86/558911986.db2.gz QLARDNJROYWFFU-IBGZPJMESA-N 1 1 404.894 3.807 40 0 HHABMO COc1cccc([C@@H]2C[N@@H+](Cc3c(C)nc4ccccn43)C[C@]23CCCCC(=O)N3)c1 ZINC000019555014 558917915 /nfs/dbraw/zinc/91/79/15/558917915.db2.gz UQEJOXMHXSYZIA-SQJMNOBHSA-N 1 1 418.541 3.680 40 0 HHABMO COc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(OC)cc2)CN3C(=O)C2CC2)cc1 ZINC000019555433 558918117 /nfs/dbraw/zinc/91/81/17/558918117.db2.gz UUHOENOWCZQLNS-UBFVSLLYSA-N 1 1 420.553 3.930 40 0 HHABMO CC(C)N(C(=O)C[N@H+]1CC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1)C(C)C ZINC000019574960 558932541 /nfs/dbraw/zinc/93/25/41/558932541.db2.gz SSKLGTXTFHBSFV-BFYDXBDKSA-N 1 1 415.504 3.625 40 0 HHABMO COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2cc(C[NH+]3CCCC3)c(C)o2)cc1 ZINC000019582508 558937631 /nfs/dbraw/zinc/93/76/31/558937631.db2.gz BKBHCZNNTXCDJL-HSZRJFAPSA-N 1 1 420.513 3.703 40 0 HHABMO COc1cccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3ccccn3)CC2)c1 ZINC000072340708 558939313 /nfs/dbraw/zinc/93/93/13/558939313.db2.gz SMJQPTXGDVQNQU-XMMPIXPASA-N 1 1 407.489 3.633 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019591308 558941632 /nfs/dbraw/zinc/94/16/32/558941632.db2.gz WZFKZVAPNWVTBB-RUZDIDTESA-N 1 1 418.516 3.854 40 0 HHABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000019591336 558941692 /nfs/dbraw/zinc/94/16/92/558941692.db2.gz MYWZHWPCYPOCGG-RUZDIDTESA-N 1 1 400.526 3.715 40 0 HHABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000019591699 558942410 /nfs/dbraw/zinc/94/24/10/558942410.db2.gz ZFZZGHMFLOVJHV-SANMLTNESA-N 1 1 415.537 3.938 40 0 HHABMO COc1cccc(Cc2cccc([C@@H]3CCC[N@H+](C4CCN(C(C)=O)CC4)C3)n2)c1 ZINC000072350210 558947082 /nfs/dbraw/zinc/94/70/82/558947082.db2.gz WJWKDPOATCPOEC-OAQYLSRUSA-N 1 1 407.558 3.871 40 0 HHABMO CC(C)c1ncc(C[N@H+]2CC[C@H](c3c4ccccc4sc3C(=O)NCCO)C2)cn1 ZINC000072352292 558948518 /nfs/dbraw/zinc/94/85/18/558948518.db2.gz RNSSOWJLRSKNLS-KRWDZBQOSA-N 1 1 424.570 3.526 40 0 HHABMO O=C(C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)Nc1nc2c(s1)CCCC2 ZINC000019657930 558950038 /nfs/dbraw/zinc/95/00/38/558950038.db2.gz VHAYURDBCHMJTR-OAHLLOKOSA-N 1 1 409.559 3.791 40 0 HHABMO O=C(C[N@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)Nc1nc2c(s1)CCCC2 ZINC000019657930 558950040 /nfs/dbraw/zinc/95/00/40/558950040.db2.gz VHAYURDBCHMJTR-OAHLLOKOSA-N 1 1 409.559 3.791 40 0 HHABMO NC(=O)c1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCOCc3ccccc3)C2)c1 ZINC000072356458 558953360 /nfs/dbraw/zinc/95/33/60/558953360.db2.gz FSUKTRNXLUASOG-NRFANRHFSA-N 1 1 404.514 3.572 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-c3cccc(C(N)=O)c3)C2)cc1 ZINC000072358403 558954102 /nfs/dbraw/zinc/95/41/02/558954102.db2.gz GBSVCCPSUKGLNC-HXUWFJFHSA-N 1 1 402.498 3.631 40 0 HHABMO Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN2C(=O)c2c(C)cc(C)n(C)c2=O)[nH+]1 ZINC000072372637 558960418 /nfs/dbraw/zinc/96/04/18/558960418.db2.gz VGQKEOQBLWFZEA-FQEVSTJZSA-N 1 1 417.513 3.821 40 0 HHABMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cc(-c3cnn(C)c3)cc(C)n2)cc1 ZINC000019690958 558960536 /nfs/dbraw/zinc/96/05/36/558960536.db2.gz YCYZOZIEJNLUNE-QFIPXVFZSA-N 1 1 405.502 3.575 40 0 HHABMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cc(-c3cnn(C)c3)cc(C)n2)cc1 ZINC000019690958 558960538 /nfs/dbraw/zinc/96/05/38/558960538.db2.gz YCYZOZIEJNLUNE-QFIPXVFZSA-N 1 1 405.502 3.575 40 0 HHABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cc1 ZINC000072373011 558960775 /nfs/dbraw/zinc/96/07/75/558960775.db2.gz QUCPNANEXSEAES-CJFMBICVSA-N 1 1 424.541 3.726 40 0 HHABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncccc3C)n2)cn1 ZINC000072375770 558964652 /nfs/dbraw/zinc/96/46/52/558964652.db2.gz IQQIJVPZBVOLTL-HXUWFJFHSA-N 1 1 404.518 3.845 40 0 HHABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ncccc3C)n2)cn1 ZINC000072375770 558964653 /nfs/dbraw/zinc/96/46/53/558964653.db2.gz IQQIJVPZBVOLTL-HXUWFJFHSA-N 1 1 404.518 3.845 40 0 HHABMO CN(CCO)C(=O)c1sc2ccccc2c1[C@H]1C[N@H+](CCc2ccccc2)CCO1 ZINC000019697570 558965367 /nfs/dbraw/zinc/96/53/67/558965367.db2.gz URXYYTYKBQNRFE-HXUWFJFHSA-N 1 1 424.566 3.582 40 0 HHABMO CN(CCO)C(=O)c1sc2ccccc2c1[C@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC000019697570 558965370 /nfs/dbraw/zinc/96/53/70/558965370.db2.gz URXYYTYKBQNRFE-HXUWFJFHSA-N 1 1 424.566 3.582 40 0 HHABMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)N3CCOCC3)cn2)c2cc(F)ccc21 ZINC000019708782 558971201 /nfs/dbraw/zinc/97/12/01/558971201.db2.gz KJAYKZXWHGEDEH-HSZRJFAPSA-N 1 1 422.504 3.522 40 0 HHABMO Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCC[N@@H+](Cc4ccncc4)C3)on2)cc1 ZINC000072395949 558975009 /nfs/dbraw/zinc/97/50/09/558975009.db2.gz NXOXFNPGQXOZAY-VWLOTQADSA-N 1 1 418.541 3.958 40 0 HHABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccn1 ZINC000072398628 558976214 /nfs/dbraw/zinc/97/62/14/558976214.db2.gz ZZRRMPGGAFROFJ-CVDCTZTESA-N 1 1 404.489 3.999 40 0 HHABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@@H+]4CCC[C@@H](C)C4)C3)CC2)cc1 ZINC000585104521 559026988 /nfs/dbraw/zinc/02/69/88/559026988.db2.gz PSKWJCJRVSLXHZ-IRLDBZIGSA-N 1 1 400.563 3.503 40 0 HHABMO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@@H+]4CCC[C@H](C)C4)C3)CC2)cc1 ZINC000585104522 559027012 /nfs/dbraw/zinc/02/70/12/559027012.db2.gz PSKWJCJRVSLXHZ-RBBKRZOGSA-N 1 1 400.563 3.503 40 0 HHABMO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](Cc4cc(F)ccc4F)C[C@@H]32)no1 ZINC000585109565 559029361 /nfs/dbraw/zinc/02/93/61/559029361.db2.gz BNNNTTDTRQHWJF-CNNODRBYSA-N 1 1 409.436 3.962 40 0 HHABMO Cc1c(F)cccc1C(=O)N1CCc2ncc(-c3cccc4c3C[N@@H+](C)C4)n2CC1 ZINC000585111405 559030488 /nfs/dbraw/zinc/03/04/88/559030488.db2.gz SJGLIPDGIQLJIV-UHFFFAOYSA-N 1 1 404.489 3.642 40 0 HHABMO COc1ccc(-c2ccc3c([C@H]4CN(C(=O)C5(F)CCC5)CCO4)[nH+]cn3c2)cc1 ZINC000585113151 559031112 /nfs/dbraw/zinc/03/11/12/559031112.db2.gz PLDGQNPAVDNCHJ-HXUWFJFHSA-N 1 1 409.461 3.802 40 0 HHABMO COc1cccc(-c2cccc3c([C@@H]4CN(Cc5cc(C)on5)CCO4)[nH+]cn32)c1 ZINC000096155878 559099958 /nfs/dbraw/zinc/09/99/58/559099958.db2.gz ZKTYZZMBJCRHEF-QFIPXVFZSA-N 1 1 404.470 3.880 40 0 HHABMO Cc1ccc(NC(=O)c2ccc3nnc([C@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)nc1 ZINC000096156169 559100283 /nfs/dbraw/zinc/10/02/83/559100283.db2.gz PLSRELIQVISAOE-IBGZPJMESA-N 1 1 412.497 3.675 40 0 HHABMO Cc1ccc(NC(=O)c2ccc3nnc([C@H]4CC[N@@H+](Cc5ccccc5)C4)n3c2)cn1 ZINC000096267531 559108159 /nfs/dbraw/zinc/10/81/59/559108159.db2.gz SKEQOPSNJNNDDP-IBGZPJMESA-N 1 1 412.497 3.675 40 0 HHABMO Cc1noc(C)c1COc1ccc(C[N@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000585268320 559113222 /nfs/dbraw/zinc/11/32/22/559113222.db2.gz WBWHGJOPWAZFMA-DHIUTWEWSA-N 1 1 412.461 3.634 40 0 HHABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](CC(=O)NCc2cccc(F)c2)CC1 ZINC000585274618 559118589 /nfs/dbraw/zinc/11/85/89/559118589.db2.gz XSVXJVUWHHAMQS-HSZRJFAPSA-N 1 1 418.484 3.531 40 0 HHABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](CC(=O)NCc2cccc(F)c2)CC1 ZINC000585274620 559118708 /nfs/dbraw/zinc/11/87/08/559118708.db2.gz XSVXJVUWHHAMQS-QHCPKHFHSA-N 1 1 418.484 3.531 40 0 HHABMO O=c1c2c([nH]c3cc(-c4ccco4)nn31)CC[N@@H+](Cc1cnn(C3CCCCC3)c1)C2 ZINC000100141641 559130425 /nfs/dbraw/zinc/13/04/25/559130425.db2.gz HAOLJMFGAMQVIB-UHFFFAOYSA-N 1 1 418.501 3.955 40 0 HHABMO O=c1c2c([nH]c3cc(-c4ccco4)nn31)CC[N@H+](Cc1cnn(C3CCCCC3)c1)C2 ZINC000100141641 559130427 /nfs/dbraw/zinc/13/04/27/559130427.db2.gz HAOLJMFGAMQVIB-UHFFFAOYSA-N 1 1 418.501 3.955 40 0 HHABMO C=C1[NH+]=C(SCC(C)C)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408985914 560661647 /nfs/dbraw/zinc/66/16/47/560661647.db2.gz BLDRRORULSKGAG-SFHVURJKSA-N 1 1 422.547 3.939 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019499731 560873511 /nfs/dbraw/zinc/87/35/11/560873511.db2.gz VQEXMJIEVJAZFR-FQEVSTJZSA-N 1 1 410.591 3.787 40 0 HHABMO Cc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020139305 560881094 /nfs/dbraw/zinc/88/10/94/560881094.db2.gz XYSIXTFHSQMBEJ-QFIPXVFZSA-N 1 1 404.562 3.644 40 0 HHABMO CCC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020139957 560881157 /nfs/dbraw/zinc/88/11/57/560881157.db2.gz DFNWFTSYLZBJBO-QFIPXVFZSA-N 1 1 404.562 3.725 40 0 HHABMO O=C(CN(c1ccc2c(c1)OCCO2)C1=[NH+]CCCCC1)c1ccc2c(c1)OCCO2 ZINC000008419670 568500578 /nfs/dbraw/zinc/50/05/78/568500578.db2.gz GGYATUYLKDMPDL-UHFFFAOYSA-N 1 1 422.481 3.891 40 0 HHABMO O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222595331 568519787 /nfs/dbraw/zinc/51/97/87/568519787.db2.gz YXHCKUGWKIPSQR-GOSISDBHSA-N 1 1 410.905 3.918 40 0 HHABMO O=C(NCCCN1CCCc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222602343 568520101 /nfs/dbraw/zinc/52/01/01/568520101.db2.gz VQEVNKWQVATGHU-JOCHJYFZSA-N 1 1 409.549 3.997 40 0 HHABMO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000224419783 568580852 /nfs/dbraw/zinc/58/08/52/568580852.db2.gz TYBAQKQSSABVHX-SJLPKXTDSA-N 1 1 400.494 3.932 40 0 HHABMO CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224575441 568585995 /nfs/dbraw/zinc/58/59/95/568585995.db2.gz ZIEGDPMAVCXKIZ-NRFANRHFSA-N 1 1 402.922 3.646 40 0 HHABMO O=C(CSCc1c(F)cccc1Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224707959 568593239 /nfs/dbraw/zinc/59/32/39/568593239.db2.gz IKUQLNYMCUMUSZ-UHFFFAOYSA-N 1 1 422.953 3.861 40 0 HHABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(I)c1 ZINC000224964627 568606450 /nfs/dbraw/zinc/60/64/50/568606450.db2.gz LSCNZJWJSTVQML-INIZCTEOSA-N 1 1 400.304 3.676 40 0 HHABMO O=C(Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1)N1CCCC1 ZINC000225901745 568684765 /nfs/dbraw/zinc/68/47/65/568684765.db2.gz MPOKYSZYCIWTNQ-JOCHJYFZSA-N 1 1 405.542 3.702 40 0 HHABMO Cc1cccnc1Nc1cncc(C2CCN(C(=O)CC[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000257220012 568782098 /nfs/dbraw/zinc/78/20/98/568782098.db2.gz DJEREJAFUJDNRL-SFHVURJKSA-N 1 1 422.577 3.752 40 0 HHABMO O=C(C[N@H+]1C[C@@H]2[C@@H](Cc3cccc(Cl)c3)CC[C@@H]2C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257225753 568783684 /nfs/dbraw/zinc/78/36/84/568783684.db2.gz FHPZTJBDOQQBEQ-GPMSIDNRSA-N 1 1 424.932 3.649 40 0 HHABMO CCc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4cccc(C)n4)cc(C)[nH+]3)C2)o1 ZINC000257255557 568791627 /nfs/dbraw/zinc/79/16/27/568791627.db2.gz KHYGGVPYQXTIRT-IBGZPJMESA-N 1 1 421.501 3.910 40 0 HHABMO Cc1nc2cc([C@H]3CCC[N@H+]3C3CCCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257263036 568793670 /nfs/dbraw/zinc/79/36/70/568793670.db2.gz LOCQUBKQVGPAQT-JOCHJYFZSA-N 1 1 409.578 3.981 40 0 HHABMO CCc1nccn1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)[C@@H]2Cc1ccccc1 ZINC000257269544 568795553 /nfs/dbraw/zinc/79/55/53/568795553.db2.gz MQKQAKOXFDZKCK-KDHQNNTKSA-N 1 1 420.601 3.921 40 0 HHABMO CCN1CC[N@@H+](Cc2ccc(O)cc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257282382 568799182 /nfs/dbraw/zinc/79/91/82/568799182.db2.gz OTOCTCCIIPZHIM-HSZRJFAPSA-N 1 1 415.537 3.977 40 0 HHABMO CCCN1CC[N@H+](Cc2[nH]cnc2C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257289301 568801278 /nfs/dbraw/zinc/80/12/78/568801278.db2.gz PXZXODWGBDIVNX-QFIPXVFZSA-N 1 1 417.557 3.693 40 0 HHABMO CCCN1CC[N@@H+](Cc2[nH]cnc2C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257289301 568801280 /nfs/dbraw/zinc/80/12/80/568801280.db2.gz PXZXODWGBDIVNX-QFIPXVFZSA-N 1 1 417.557 3.693 40 0 HHABMO CN(C)c1cccc(C(=O)N2CCC[C@@]3(C[N@H+](Cc4cccs4)CCO3)CC2)c1 ZINC000306124960 568887907 /nfs/dbraw/zinc/88/79/07/568887907.db2.gz CDGMBOQUIYVHNY-QHCPKHFHSA-N 1 1 413.587 3.711 40 0 HHABMO CN(C)c1cccc(C(=O)N2CCC[C@@]3(C[N@@H+](Cc4cccs4)CCO3)CC2)c1 ZINC000306124960 568887909 /nfs/dbraw/zinc/88/79/09/568887909.db2.gz CDGMBOQUIYVHNY-QHCPKHFHSA-N 1 1 413.587 3.711 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccccc4F)C[C@H]32)cc1 ZINC000306136468 568898172 /nfs/dbraw/zinc/89/81/72/568898172.db2.gz PUHCRIIAMDRBQS-XZOQPEGZSA-N 1 1 405.473 3.717 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccccc4F)C[C@H]32)cc1 ZINC000306136468 568898174 /nfs/dbraw/zinc/89/81/74/568898174.db2.gz PUHCRIIAMDRBQS-XZOQPEGZSA-N 1 1 405.473 3.717 40 0 HHABMO Cn1[n-]c2c(c1=O)C[N@@H+](Cc1cccc(F)c1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306138550 568900283 /nfs/dbraw/zinc/90/02/83/568900283.db2.gz SAINMCMAICOTRC-UHFFFAOYSA-N 1 1 420.532 3.814 40 0 HHABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(-c4cccc(OC)c4)cnc2CO3)cc1 ZINC000306141595 568902965 /nfs/dbraw/zinc/90/29/65/568902965.db2.gz WBLPOIICBYKMMA-XMMPIXPASA-N 1 1 405.498 3.742 40 0 HHABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccc(F)cc4)C[C@@H]32)cc1 ZINC000306142642 568904248 /nfs/dbraw/zinc/90/42/48/568904248.db2.gz XFKHANSNBGKSCT-PKTZIBPZSA-N 1 1 405.473 3.717 40 0 HHABMO CCc1ccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](CC)CC3)cc2)cc1 ZINC000008086067 569339301 /nfs/dbraw/zinc/33/93/01/569339301.db2.gz UXNXZPBOSMIBJO-UHFFFAOYSA-N 1 1 411.571 3.580 40 0 HHABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000019565047 569345606 /nfs/dbraw/zinc/34/56/06/569345606.db2.gz CCFVDMDIPDHLOZ-HYBUGGRVSA-N 1 1 416.525 3.869 40 0 HHABMO COc1cc2c(cc1OC)CN(c1cc(C3CC3)[nH+]c(NCc3ccccc3)n1)CC2 ZINC000328981819 571308759 /nfs/dbraw/zinc/30/87/59/571308759.db2.gz GWXGMUNBQZHEFH-UHFFFAOYSA-N 1 1 416.525 4.546 40 0 HHABMO